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Sample records for structurated bulk samples

  1. Effect of Ca substitution on some physical properties of nano-structured and bulk Ni-ferrite samples

    Science.gov (United States)

    Assar, S. T.; Abosheiasha, H. F.

    2015-01-01

    Nanoparticles of Ni1-xCaxFe2O4 (x=0.0, 0.02, 0.04, 0.06 and 0.10) were prepared by citrate precursor method. A part of these samples was sintered at 600 °C for 2 h in order to keep the particles within the nano-size while the other part was sintered at 1000 °C to let the particles to grow to the bulk size. The effect of Ca2+ ion substitution in nickel ferrite on some structural, magnetic, electrical and thermal properties was investigated. All samples were characterized by using X-ray diffraction (XRD), transmission electron microscope (TEM), Fourier transform infrared spectroscopy (FTIR) and vibrating sample magnetometer (VSM). A two probe method was used to measure the dc electrical conductivity whereas the photoacoustic (PA) technique was used to determine the thermal diffusivity of the samples. To interpret different experimental results for nano and bulk samples some cation distributions were assumed based on the VSM and XRD data. These suggested cation distributions give logical explanations for other experimental results such as the observed values of the absorption bands in FTIR spectra and the dc conductivity results. Finally, in the thermal measurements it was found that increasing the Ca2+ ion content causes a decrease in the thermal diffusivity of both nano and bulk samples. The explanation of this behavior is ascribed to the phonon-phonon scattering.

  2. Structural determinants in the bulk heterojunction.

    Science.gov (United States)

    Acocella, Angela; Höfinger, Siegfried; Haunschmid, Ernst; Pop, Sergiu C; Narumi, Tetsu; Yasuoka, Kenji; Yasui, Masato; Zerbetto, Francesco

    2018-02-21

    Photovoltaics is one of the key areas in renewable energy research with remarkable progress made every year. Here we consider the case of a photoactive material and study its structural composition and the resulting consequences for the fundamental processes driving solar energy conversion. A multiscale approach is used to characterize essential molecular properties of the light-absorbing layer. A selection of bulk-representative pairs of donor/acceptor molecules is extracted from the molecular dynamics simulation of the bulk heterojunction and analyzed at increasing levels of detail. Significantly increased ground state energies together with an array of additional structural characteristics are identified that all point towards an auxiliary role of the material's structural organization in mediating charge-transfer and -separation. Mechanistic studies of the type presented here can provide important insights into fundamental principles governing solar energy conversion in next-generation photovoltaic devices.

  3. Bulk sample self-attenuation correction by transmission measurement

    International Nuclear Information System (INIS)

    Parker, J.L.; Reilly, T.D.

    1976-01-01

    Various methods used in either finding or avoiding the attenuation correction in the passive γ-ray assay of bulk samples are reviewed. Detailed consideration is given to the transmission method, which involves experimental determination of the sample linear attenuation coefficient by measuring the transmission through the sample of a beam of gamma rays from an external source. The method was applied to box- and cylindrically-shaped samples

  4. Perovskite oxides: Oxygen electrocatalysis and bulk structure

    Science.gov (United States)

    Carbonio, R. E.; Fierro, C.; Tryk, D.; Scherson, D.; Yeager, Ernest

    1987-01-01

    Perovskite type oxides were considered for use as oxygen reduction and generation electrocatalysts in alkaline electrolytes. Perovskite stability and electrocatalytic activity are studied along with possible relationships of the latter with the bulk solid state properties. A series of compounds of the type LaFe(x)Ni1(-x)O3 was used as a model system to gain information on the possible relationships between surface catalytic activity and bulk structure. Hydrogen peroxide decomposition rate constants were measured for these compounds. Ex situ Mossbauer effect spectroscopy (MES), and magnetic susceptibility measurements were used to study the solid state properties. X ray photoelectron spectroscopy (XPS) was used to examine the surface. MES has indicated the presence of a paramagnetic to magnetically ordered phase transition for values of x between 0.4 and 0.5. A correlation was found between the values of the MES isomer shift and the catalytic activity for peroxide decomposition. Thus, the catalytic activity can be correlated to the d-electron density for the transition metal cations.

  5. Perovskite oxides: Oxygen electrocatalysis and bulk structure

    Science.gov (United States)

    Carbonio, R. E.; Fierro, C.; Tryk, D.; Scherson, D.; Yeager, Ernest

    1987-09-01

    Perovskite type oxides were considered for use as oxygen reduction and generation electrocatalysts in alkaline electrolytes. Perovskite stability and electrocatalytic activity are studied along with possible relationships of the latter with the bulk solid state properties. A series of compounds of the type LaFe(x)Ni1(-x)O3 was used as a model system to gain information on the possible relationships between surface catalytic activity and bulk structure. Hydrogen peroxide decomposition rate constants were measured for these compounds. Ex situ Mossbauer effect spectroscopy (MES), and magnetic susceptibility measurements were used to study the solid state properties. X ray photoelectron spectroscopy (XPS) was used to examine the surface. MES has indicated the presence of a paramagnetic to magnetically ordered phase transition for values of x between 0.4 and 0.5. A correlation was found between the values of the MES isomer shift and the catalytic activity for peroxide decomposition. Thus, the catalytic activity can be correlated to the d-electron density for the transition metal cations.

  6. Should bulk cloudwater or fogwater samples obey Henry's law?

    Science.gov (United States)

    Pandis, Spyros N.; Seinfeld, John H.

    1991-06-01

    Mixing of droplets with different pH that are individually in Henry's law equilibrium with the surrounding atmosphere always results in a bulk mixture that is supersaturated with weak acids like S(IV) and HCOOH, and bases like NH3 with respect to the original atmosphere. High supersaturations result only when the pH of the bulk droplet mixture exceeds the pKa of the species, in which pH range large pH differences among droplets of different sizes lead to large deviations from Henry's law for the bulk mixture. The deviation is shown to depend on the ratio of the arithmetic mean to the harmonic mean of the hydrogen ion concentrations of the droplets with the liquid water content used as weighting factor in the calculation of the means. The theory developed can explain observed discrepancies from Henry's law in atmospheric samples and also other observed phenomena like the reported increase of pH values of bulk aqueous samples during storage.

  7. Stability of bulk metallic glass structure

    Energy Technology Data Exchange (ETDEWEB)

    Jain, H.; Williams, D.B.

    2003-06-18

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

  8. Photoelectron spectroscopy bulk and surface electronic structures

    CERN Document Server

    Suga, Shigemasa

    2014-01-01

    Photoelectron spectroscopy is now becoming more and more required to investigate electronic structures of various solid materials in the bulk, on surfaces as well as at buried interfaces. The energy resolution was much improved in the last decade down to 1 meV in the low photon energy region. Now this technique is available from a few eV up to 10 keV by use of lasers, electron cyclotron resonance lamps in addition to synchrotron radiation and X-ray tubes. High resolution angle resolved photoelectron spectroscopy (ARPES) is now widely applied to band mapping of materials. It attracts a wide attention from both fundamental science and material engineering. Studies of the dynamics of excited states are feasible by time of flight spectroscopy with fully utilizing the pulse structures of synchrotron radiation as well as lasers including the free electron lasers (FEL). Spin resolved studies also made dramatic progress by using higher efficiency spin detectors and two dimensional spin detectors. Polarization depend...

  9. Studies on bulk growth, structural and microstructural ...

    Indian Academy of Sciences (India)

    Abstract. Bulk single crystal of 4-aminobenzophenone with a size of 25 mm dia. and 35 mm length has been grown by vertical Bridgman technique. The crystal system of the grown crystal was confirmed by X-ray diffraction analysis. Crystalline perfection was analysed by high resolution X-ray diffraction studies. Chemical ...

  10. Positron annihilation lifetime spectroscopy of ZnO bulk samples

    International Nuclear Information System (INIS)

    Zubiaga, A.; Plazaola, F.; Garcia, J. A.; Tuomisto, F.; Munoz-Sanjose, V.; Tena-Zaera, R.

    2007-01-01

    In order to gain a further insight into the knowledge of point defects of ZnO, positron annihilation lifetime spectroscopy was performed on bulk samples annealed under different atmospheres. The samples were characterized at temperatures ranging from 10 to 500 K. Due to difficulties in the conventional fitting of the lifetime spectra caused by the low intensity of the defect signals, we have used an alternative method as a solution to overcome these difficulties and resolve all the lifetime components present in the spectra. Two different vacancy-type defects are identified in the samples: Zn vacancy complexes (V Zn -X) and vacancy clusters consisting of up to five missing Zn-O pairs. In addition to the vacancies, we observe negative-ion-type defects, which are tentatively attributed to intrinsic defects in the Zn sublattice. The effect of the annealing on the observed defects is discussed. The concentrations of the V Zn -X complexes and negative-ion-type defects are in the 0.2-2 ppm range, while the cluster concentrations are 1-2 orders of magnitude lower

  11. High mechanical Q-factor measurements on silicon bulk samples

    Energy Technology Data Exchange (ETDEWEB)

    Nawrodt, R; Zimmer, A; Koettig, T; Schwarz, C; Heinert, D; Hudl, M; Neubert, R; Thuerk, M; Nietzsche, S; Vodel, W; Seidel, P [Friedrich-Schiller-Universitaet, Institut fuer Festkoerperphysik, Helmholtzweg 5, D-07743 Jena (Germany); Tuennermann, A [Friedrich-Schiller-Universitaet, Institut fuer Angewandte Physik, Max-Wien-Platz 1, D-07743 Jena (Germany)], E-mail: ronny.nawrodt@uni-jena.de

    2008-07-15

    Future gravitational wave detectors will be limited by different kinds of noise. Thermal noise from the coatings and the substrate material will be a serious noise contribution within the detection band of these detectors. Cooling and the use of a high mechanical Q-factor material as a substrate material will reduce the thermal noise contribution from the substrates. Silicon is one of the most interesting materials for a third generation cryogenic detector. Due to the fact that the coefficient of thermal expansion vanishes at 18 and 125 K the thermoelastic contribution to the thermal noise will disappear. We present a systematic analysis of the mechanical Q-factor at low temperatures between 5 and 300 K on bulk silicon (100) samples which are boron doped. The thickness of the cylindrical samples is varied between 6, 12, 24, and 75mm with a constant diameter of 3 inches. For the 75mm substrate a comparison between the (100) and the (111) orientation is presented. In order to obtain the mechanical Q-factor a ring-down measurement is performed. Thus, the substrate is excited to resonant vibrations by means of an electrostatic driving plate and the subsequent ring-down is recorded using a Michelson-like interferometer. The substrate itself is suspended as a pendulum by means of a tungsten wire loop. All measurements are carried out in a special cryostat which provides a temperature stability of better than 0.1K between 5 and 300K during the experiment. The influence of the suspension on the measurements is experimentally investigated and discussed. At 5.8K a highest Q-factor of 4.5 x 10{sup 8} was achieved for the 14.9 kHz mode of a silicon (100) substrate with a diameter of 3 inches and a thickness of 12 mm.

  12. Preparation and investigation of bulk and thin film samples of strontium ferrite

    Directory of Open Access Journals (Sweden)

    A Poorbafrani

    2008-07-01

    Full Text Available   In this article, bulk and thin film samples of strontium ferrite have been studied. Due to the high electrical resistivity in strontium ferrite, energy loss due to eddy currents reduces and because of this, it can be used in high frequency magnetic circuits. On the other hand, strontium ferrite has attracted much attention as a permanent magnet. At first, we study the preparation process of bulk samples of strontium ferrite by a solid state reaction technique. In preparation of samples, to optimize the magnetic properties, we have used the stoichiometry factor (n = Fe2O3 / SrO of 5.25. In addition, we have used additives such as CaO and SiO2 to control grain growth. The samples have been prepared in two series: Isotropic and Anisotropic. For preparation of anisotropic samples, the magnetic field of 1T has been used for orientation of the grains during the press. Then, X-ray diffraction, Scanning Electron Microscopy (SEM, EDAX analysis and Magnetometer, was used for analyzing and comparing of structural and magnetic properties of isotropic and anisotropic samples. The results indicate that, due to the applied magnetic field, the structural and Magnetic properties of anisotropic samples improved efficiently because of the orientation of the grains during the press. In the next stage, we used bulk samples to prepare strontium ferrite thin films by Pulsed Laser Deposition technique (PLD. The Si (111 substrate has been used to prepare the thin films. Then we have studied the microstructure of thin films by X-ray diffraction, SEM and EDAX analysis. These studies on different samples show that for the preparation of crystalline phase of strontium ferrite thin films, the substrate temperature must be higher than 800˚C. The optimum conditions for preparation of strontium, ferrite thin films have been achieved on the substrate temperature of 840˚C and oxygen pressure of 75 mtorr.

  13. Ferromagnetism in rare earth doped cerium oxide bulk samples

    Energy Technology Data Exchange (ETDEWEB)

    Dimri, M. Chandra; Kooskora, H.; Subbi, J.; Heinmaa, I.; Stern, R. [National Institute of Chemical Physics and Biophysics, Tallinn (Estonia); Khanduri, H. [National Institute of Chemical Physics and Biophysics, Tallinn (Estonia); Tallinn University of Technology, Tallinn (Estonia); Mere, A.; Krustok, J. [Tallinn University of Technology, Tallinn (Estonia)

    2012-02-15

    Magnetic properties of rare earth (RE) doped ceria (RE = Nd, Sm, Gd, Tb, Er and Dy) samples have been investigated and reported in this paper. Room temperature ferromagnetism (FM) was observed in calcined powders as well as in sintered samples of Nd and Sm doped CeO{sub 2}, whereas other RE dopants (Gd, Tb, Er and Dy) in CeO{sub 2} exhibit paramagnetic behaviour. The origin of magnetism in these samples can be related to oxygen vacancies and formation of fluorite crystal structure. Though the magnetization was found to be lower as compared to transition metal (TM) doped ceria, the segregation of metallic and secondary phases can be avoided in RE doped CeO{sub 2}. CeO{sub 2} doped with Sm ions in different concentration (1, 5 and 15%) were also studied to see the dopant effects on magnetic properties. The origin of magnetism in these samples may be related to the oxygen vacancies created due to RE dopants, which was confirmed from the peak around 555 cm{sup -1} in Raman spectra. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. 3D-Laser-Scanning Technique Applied to Bulk Density Measurements of Apollo Lunar Samples

    Science.gov (United States)

    Macke, R. J.; Kent, J. J.; Kiefer, W. S.; Britt, D. T.

    2015-01-01

    In order to better interpret gravimetric data from orbiters such as GRAIL and LRO to understand the subsurface composition and structure of the lunar crust, it is import to have a reliable database of the density and porosity of lunar materials. To this end, we have been surveying these physical properties in both lunar meteorites and Apollo lunar samples. To measure porosity, both grain density and bulk density are required. For bulk density, our group has historically utilized sub-mm bead immersion techniques extensively, though several factors have made this technique problematic for our work with Apollo samples. Samples allocated for measurement are often smaller than optimal for the technique, leading to large error bars. Also, for some samples we were required to use pure alumina beads instead of our usual glass beads. The alumina beads were subject to undesirable static effects, producing unreliable results. Other investigators have tested the use of 3d laser scanners on meteorites for measuring bulk volumes. Early work, though promising, was plagued with difficulties including poor response on dark or reflective surfaces, difficulty reproducing sharp edges, and large processing time for producing shape models. Due to progress in technology, however, laser scanners have improved considerably in recent years. We tested this technique on 27 lunar samples in the Apollo collection using a scanner at NASA Johnson Space Center. We found it to be reliable and more precise than beads, with the added benefit that it involves no direct contact with the sample, enabling the study of particularly friable samples for which bead immersion is not possible

  15. Nested structures approach for bulk 3D negative index materials

    DEFF Research Database (Denmark)

    Andryieuski, Andrei; Malureanu, Radu; Lavrinenko, Andrei

    2009-01-01

    We propose a generic conceptual idea to obtain bulk 3D negative index metamaterials, which exhibit isotropic properties. The design is based on the nested structures approach, when one element providing magnetic response is inserted into another design with negative dielectric constant. Both...

  16. Molecular detection of Coxiella burnetii in goat bulk milk samples in ...

    African Journals Online (AJOL)

    . The objective of this study was to determine the prevalence rate of C. burnetii in bulk milk samples from dairy goat herds in Fars, Ghom, Kerman, Khuzestan and Yazd provinces, Iran. In this study, 296 bulk milk samples from 89 dairy goat ...

  17. Sample sizes to control error estimates in determining soil bulk density in California forest soils

    Science.gov (United States)

    Youzhi Han; Jianwei Zhang; Kim G. Mattson; Weidong Zhang; Thomas A. Weber

    2016-01-01

    Characterizing forest soil properties with high variability is challenging, sometimes requiring large numbers of soil samples. Soil bulk density is a standard variable needed along with element concentrations to calculate nutrient pools. This study aimed to determine the optimal sample size, the number of observation (n), for predicting the soil bulk density with a...

  18. Neutron activation analysis of bulk samples from Chinese ancient porcelain to provenance research

    International Nuclear Information System (INIS)

    Jian Zhu; Wentao Hao; Jianming Zhen; Tongxiu Zhen; Glascock, M.D.

    2013-01-01

    Neutron activation analysis (NAA) is an important technique to determine the provenance of ancient ceramics. The most common technique used for preparing ancient samples for NAA is to grind them into a powder and then encapsulate them before neutron irradiation. Unfortunately, ceramic materials are typically very hard making it a challenge to grind them into a powder. In this study we utilize bulk porcelain samples cut from ancient shards. The bulk samples are irradiated by neutrons alongside samples that have been conventionally ground into a powder. The NAA for both the bulk samples and powders are compared and shown to provide equivalent information regarding their chemical composition. Also, the multivariate statistical have been employed to the analysis data for check the consistency. The findings suggest that NAA results are less dependent on the state of the porcelain sample, and thus bulk samples cut from shards may be used to effectively determine their provenance. (author)

  19. Electrical resistance behavior with gamma radiation dose in bulk carbon nanostrutured samples

    International Nuclear Information System (INIS)

    Lage, J.; Leyva, A.; Pinnera, I.; Desdin, L. F.; Abreu, Y.; Cruz, C. M.; Leyva, D.; Toledo, C.

    2013-01-01

    The aim of this paper is to study the effects of 60 Co gamma radiation on the electrical resistance and V-I characteristic of bulk carbon nano structured samples obtained by electric arc discharge in water method. Images of pristine samples obtained with scanning electron, and the results in graphical form of the electrical characterization of irradiated samples are presented in the text. It was observed that the electrical resistance vs. dose behavior shows an initial increment reaching the maximum at approximately 135 kGy, followed by a drop of the resistance values. These behaviors are associated with the progressive generation of radiation induced defects in the sample, whose number increases to reach saturation at 135 kGy. From this dose, defects could lead to cross-links between different nano structures present in the sample conducting to a gradually drop in electrical resistance. The measured V-I curves show that, increasing exposure to the 60 Co gamma radiation, the electrical properties of the studied samples transit from a semiconductor towards a predominantly metallic behavior. These results were compared with those obtained for a sample of graphite powder irradiated under the same conditions. (Author)

  20. 350 keV accelerator based PGNAA setup to detect nitrogen in bulk samples

    Energy Technology Data Exchange (ETDEWEB)

    Naqvi, A.A., E-mail: aanaqvi@kfupm.edu.sa [Department of Physics and King Fahd University of Petroleum and Minerals, Dhahran (Saudi Arabia); Al-Matouq, Faris A.; Khiari, F.Z.; Gondal, M.A.; Rehman, Khateeb-ur [Department of Physics and King Fahd University of Petroleum and Minerals, Dhahran (Saudi Arabia); Isab, A.A. [Department of Chemistry, King Fahd University of Petroleum and Minerals, Dhahran (Saudi Arabia); Raashid, M.; Dastageer, M.A. [Department of Physics and King Fahd University of Petroleum and Minerals, Dhahran (Saudi Arabia)

    2013-11-21

    Nitrogen concentration was measured in explosive and narcotics proxy material, e.g. anthranilic acid, caffeine, melamine, and urea samples, bulk samples through thermal neutron capture reaction using 350 keV accelerator based prompt gamma ray neutron activation (PGNAA) setup. Intensity of 2.52, 3.53–3.68, 4.51, 5.27–5.30 and 10.38 MeV prompt gamma rays of nitrogen from the bulk samples was measured using a cylindrical 100 mm×100 mm (diameter×height ) BGO detector. Inspite of interference of nitrogen gamma rays from bulk samples with capture prompt gamma rays from BGO detector material, an excellent agreement between the experimental and calculated yields of nitrogen gamma rays has been obtained. This is an indication of the excellent performance of the PGNAA setup for detection of nitrogen in bulk samples.

  1. 350 keV accelerator based PGNAA setup to detect nitrogen in bulk samples

    Science.gov (United States)

    Naqvi, A. A.; Al-Matouq, Faris A.; Khiari, F. Z.; Gondal, M. A.; Rehman, Khateeb-ur; Isab, A. A.; Raashid, M.; Dastageer, M. A.

    2013-11-01

    Nitrogen concentration was measured in explosive and narcotics proxy material, e.g. anthranilic acid, caffeine, melamine, and urea samples, bulk samples through thermal neutron capture reaction using 350 keV accelerator based prompt gamma ray neutron activation (PGNAA) setup. Intensity of 2.52, 3.53-3.68, 4.51, 5.27-5.30 and 10.38 MeV prompt gamma rays of nitrogen from the bulk samples was measured using a cylindrical 100 mm×100 mm (diameter×height ) BGO detector. Inspite of interference of nitrogen gamma rays from bulk samples with capture prompt gamma rays from BGO detector material, an excellent agreement between the experimental and calculated yields of nitrogen gamma rays has been obtained. This is an indication of the excellent performance of the PGNAA setup for detection of nitrogen in bulk samples.

  2. Determination of uranium in samples containing bulk aluminium

    International Nuclear Information System (INIS)

    Das, S.K.; Kannan, R.; Dhami, P.S.; Tripathi, S.C.; Gandhi, P.M.

    2015-01-01

    The determination of uranium is of great importance in PUREX process and need to be analyzed at different concentration ranges depending on the stage of reprocessing. Various techniques like volumetry, spectrophotometry, ICP-OES, fluorimetry, mass spectrometry etc. are used for the measurement of uranium in these samples. Fast and sensitive methods suitable for low level detection of uranium are desirable to cater the process needs. Microgram quantities of uranium are analyzed by spectrophotometric method using 2-(5- bromo-2-pyridylazo-5-diethylaminophenol) (Br-PADAP) as the complexing agent. But, the presence of some of the metal ions viz. Al, Pu, Zr etc. interferes in its analysis. Therefore, separation of uranium from such interfering metal ions is required prior to its analysis. This paper describes the analysis of uranium in samples containing aluminium as major matrix

  3. Direct observation of nucleation in the bulk of an opaque sample

    DEFF Research Database (Denmark)

    Xu, Chaoling; Zhang, Yubin; Godfrey, Andrew William

    2017-01-01

    and they have crystallographic orientations from those present in the deformed state. Accordingly we suggest that for each nucleus the embryonic volume arises from a structural element contained within the voxels identified with the same orientation. Possible nucleation mechanisms are discussed and the growth......Remarkably little is known about the physical phenomena leading to nucleation of new perfect crystals within deformed metals during annealing, in particular how and where volumes with nearly perfect lattices evolve from structures filled with dislocations, and how local variations at the micrometer...... length scale affect this nucleation process. We present here the first experimental measurements that relate directly nucleation of recrystallization to the local deformation microstructure in the bulk of a sample of cold rolled aluminum, further deformed locally by a hardness indentation. White beam...

  4. Bulk band structure of Bi2Te3

    DEFF Research Database (Denmark)

    Michiardi, Matteo; Aguilera, Irene; Bianchi, Marco

    2014-01-01

    The bulk band structure of Bi2Te3 has been determined by angle-resolved photoemission spectroscopy and compared to first-principles calculations. We have performed calculations using the local density approximation (LDA) of density functional theory and the one-shot GW approximation within the al...... distinct differences between the LDA and GW results are present. Overall a superior agreement with GW is found, highlighting the importance of many-body effects in the band structure of this family of topological insulators....

  5. Structural study of conventional and bulk metallic glasses during annealing

    International Nuclear Information System (INIS)

    Pineda, E.; Hidalgo, I.; Bruna, P.; Pradell, T.; Labrador, A.; Crespo, D.

    2009-01-01

    Metallic glasses with conventional glass-forming ability (Al-Fe-Nd, Fe-Zr-B, Fe-B-Nb compositions) and bulk metallic glasses (Ca-Mg-Cu compositions) were studied by synchrotron X-ray diffraction during annealing throughout glass transition and crystallization temperatures. The analysis of the first diffraction peak position during the annealing process allowed us to follow the free volume change during relaxation and glass transition. The structure factor and the radial distribution function of the glasses were obtained from the X-ray measurements. The structural changes occurred during annealing are analyzed and discussed.

  6. Should bulk cloudwater or fogwater samples obey Henry's law

    Energy Technology Data Exchange (ETDEWEB)

    Pandis, S.N.; Seinfeld, J.H. (Department of Chemical Engineering and Environmental Quality Laboratory, California Institute of Technology, Pasadena, CA (USA))

    1991-06-20

    In this work we prove that mixing of droplets with different {ital p}H that are individually in Henry's law equilibrium with the surrounding atmosphere always results in a bulk mixture that is supersaturated with weak acids like S(IV) and HCOOH and bases like NH{sub 3} with respect to the original atmosphere. The degree of supersaturation of the bulk liquid water sample for a particular species depends on its dissociation constant, on the initial {ital p}H of the bulk droplet mixture, and on the distribution of the {ital p}H and of the liquid water over the droplet spectrum. High supersaturations result only when the {ital p}H of the bulk droplet mixture exceeds the {ital p}K{sub {ital a}} of the species, in which {ital p}H range large {ital p}H differences among droplets of different sizes lead to large deviations from Henry's law for the bulk mixture. The deviation is shown to depend on the ratio of the arithmetic mean to the harmonic mean of the hydrogen ion concentrations of the droplets with the liquid water content used was weighting factor in the calculation of the means. The theory developed can explain observed discrepancies from Henry's law in atmospheric samples and also other observed phenomena like the reported increase of {ital p}H values of bulk aqueous samples during storage. {copyright} American Geophysical Union 1991

  7. Highly oriented Bi-system bulk sample prepared by a decomposition-crystallization process

    International Nuclear Information System (INIS)

    Xi Zhengping; Zhou Lian; Ji Chunlin

    1992-01-01

    A decomposition-crystallization method, preparing highly oriented Bi-system bulk sample is reported. The effects of processing parameter, decomposition temperature, cooling rate and post-treatment condition on texture and superconductivity are investigated. The method has successfully prepared highly textured Bi-system bulk samples. High temperature annealing does not destroy the growing texture, but the cooling rate has some effect on texture and superconductivity. Annealing in N 2 /O 2 atmosphere can improve superconductivity of the textured sample. The study on the superconductivity of the Bi(Pb)-Sr-Ca-Cu-O bulk material has been reported in numerous papers. The research on J c concentrates on the tape containing the 2223 phase, with very few studies on the J c of bulk sample. The reason for the lack of studies is that the change of superconducting phases at high temperatures has not been known. The authors have reported that the 2212 phase incongruently melted at about 875 degrees C and proceeded to orient the c-axis perpendicular to the surface in the process of crystallization of the 2212 phase. Based on that result, a decomposition-crystallization method was proposed to prepare highly oriented Bi-system bulk sample. In this paper, the process is described in detail and the effects of processing parameters on texture and superconductivity are reported

  8. Iron phosphate glasses: Bulk properties and atomic scale structure

    Energy Technology Data Exchange (ETDEWEB)

    Joseph, Kitheri; Stennett, Martin C.; Hyatt, Neil C.; Asuvathraman, R.; Dube, Charu L.; Gandy, Amy S.; Govindan Kutty, K. V.; Jolley, Kenny; Vasudeva Rao, P. R.; Smith, Roger

    2017-10-01

    Bulk properties such as glass transition temperature, density and thermal expansion of iron phosphate glass compositions, with replacement of Cs by Ba, are investigated as a surrogate for the transmutation of 137Cs to 137Ba, relevant to the immobilisation of Cs in glass. These studies are required to establish the appropriate incorporation rate of 137Cs in iron phosphate glass. Density and glass transition temperature increases with the addition of BaO indicating the shrinkage and reticulation of the iron phosphate glass network. The average thermal expansion coefficient reduces from 19.8 × 10-6 K-1 to 13.4 × 10-6 K-1, when 25 wt. % of Cs2O was replaced by 25 wt. % of BaO in caesium loaded iron phosphate glass. In addition to the above bulk properties, the role of Ba as a network modifier in the structure of iron phosphate glass is examined using various spectroscopic techniques. The FeII content and average coordination number of iron in the glass network was estimated using Mössbauer spectroscopy. The FeII content in the un-doped iron phosphate glass and barium doped iron phosphate glasses was 20, 21 and 22 ± 1% respectively and the average Fe coordination varied from 5.3 ± 0.2 to 5.7 ± 0.2 with increasing Ba content. The atomic scale structure was further probed by Fe K-edge X-ray absorption spectroscopy. The average coordination number provided by extended X-ray absorption fine structure spectroscopy and X-ray absorption near edge structure was in good agreement with that given by the Mössbauer data.

  9. Perovskite-type oxides - Oxygen electrocatalysis and bulk structure

    Science.gov (United States)

    Carbonio, R. E.; Fierro, C.; Tryk, D.; Scherson, D.; Yeager, E.

    1988-01-01

    Perovskite type oxides were considered for use as oxygen reduction and generation electrocatalysts in alkaline electrolytes. Perovskite stability and electrocatalytic activity are studied along with possible relationships of the latter with the bulk solid state properties. A series of compounds of the type LaFe(x)Ni1(-x)O3 was used as a model system to gain information on the possible relationships between surface catalytic activity and bulk structure. Hydrogen peroxide decomposition rate constants were measured for these compounds. Ex situ Mossbauer effect spectroscopy (MES), and magnetic susceptibility measurements were used to study the solid state properties. X ray photoelectron spectroscopy (XPS) was used to examine the surface. MES has indicated the presence of a paramagnetic to magnetically ordered phase transition for values of x between 0.4 and 0.5. A correlation was found between the values of the MES isomer shift and the catalytic activity for peroxide decomposition. Thus, the catalytic activity can be correlated to the d-electron density for the transition metal cations.

  10. Analysis and optimization of bulk DNA sampling with binary scoring for germplasm characterization.

    Science.gov (United States)

    Reyes-Valdés, M Humberto; Santacruz-Varela, Amalio; Martínez, Octavio; Simpson, June; Hayano-Kanashiro, Corina; Cortés-Romero, Celso

    2013-01-01

    The strategy of bulk DNA sampling has been a valuable method for studying large numbers of individuals through genetic markers. The application of this strategy for discrimination among germplasm sources was analyzed through information theory, considering the case of polymorphic alleles scored binarily for their presence or absence in DNA pools. We defined the informativeness of a set of marker loci in bulks as the mutual information between genotype and population identity, composed by two terms: diversity and noise. The first term is the entropy of bulk genotypes, whereas the noise term is measured through the conditional entropy of bulk genotypes given germplasm sources. Thus, optimizing marker information implies increasing diversity and reducing noise. Simple formulas were devised to estimate marker information per allele from a set of estimated allele frequencies across populations. As an example, they allowed optimization of bulk size for SSR genotyping in maize, from allele frequencies estimated in a sample of 56 maize populations. It was found that a sample of 30 plants from a random mating population is adequate for maize germplasm SSR characterization. We analyzed the use of divided bulks to overcome the allele dilution problem in DNA pools, and concluded that samples of 30 plants divided into three bulks of 10 plants are efficient to characterize maize germplasm sources through SSR with a good control of the dilution problem. We estimated the informativeness of 30 SSR loci from the estimated allele frequencies in maize populations, and found a wide variation of marker informativeness, which positively correlated with the number of alleles per locus.

  11. Nitrogen Detection in Bulk Samples Using a D-D Reaction-Based Portable Neutron Generator

    Directory of Open Access Journals (Sweden)

    A. A. Naqvi

    2013-01-01

    Full Text Available Nitrogen concentration was measured via 2.52 MeV nitrogen gamma ray from melamine, caffeine, urea, and disperse orange bulk samples using a newly designed D-D portable neutron generator-based prompt gamma ray setup. Inspite of low flux of thermal neutrons produced by D-D reaction-based portable neutron generator and interference of 2.52 MeV gamma rays from nitrogen in bulk samples with 2.50 MeV gamma ray from bismuth in BGO detector material, an excellent agreement between the experimental and calculated yields of nitrogen gamma rays indicates satisfactory performance of the setup for detection of nitrogen in bulk samples.

  12. Mechanical and Structural Investigation of Porous Bulk Metallic Glasses

    Directory of Open Access Journals (Sweden)

    Baran Sarac

    2015-06-01

    Full Text Available The intrinsic properties of advanced alloy systems can be altered by changing their microstructural features. Here, we present a highly efficient method to produce and characterize structures with systematically-designed pores embedded inside. The fabrication stage involves a combination of photolithography and deep reactive ion etching of a Si template replicated using the concept of thermoplastic forming. Pt- and Zr-based bulk metallic glasses (BMGs were evaluated through uniaxial tensile test, followed by scanning electron microscope (SEM fractographic and shear band analysis. Compositional investigation of the fracture surface performed via energy dispersive X-ray spectroscopy (EDX, as well as Auger spectroscopy (AES shows a moderate amount of interdiffusion (5 at.% maximum of the constituent elements between the deformed and undeformed regions. Furthermore, length-scale effects on the mechanical behavior of porous BMGs were explored through molecular dynamics (MD simulations, where shear band formation is observed for a material width of 18 nm.

  13. Influence of Bulk Carbonaceous Matter on Pluto's Structure and Evolution

    Science.gov (United States)

    McKinnon, W. B.; Stern, S. A.; Weaver, H. A., Jr.; Spencer, J. R.; Moore, J. M.; Young, L. A.; Olkin, C.

    2017-12-01

    The rock/ice mass ratio of the Pluto system is about 2/1 (McKinnon et al., Icarus 287, 2017) [1], though this neglects the potential role of bulk carbonaceous matter ("CHON"), an important cometary component and one likely important in the ancestral Kuiper belt. The wealth of measurements at comet 67P/Churyumov-Gerasimenko (a Jupiter-family comet and thus one formed in the same region of the outer Solar System as Pluto) by Rosetta are particularly instructive. E.g., Davidsson et al. (A&A 592, 2016) [2] propose in their "composition A" that 67P/Ch-G is 25% metal/sulfides, 42% rock/organics, and 32% ice by mass. For their assumed component densities, the overall grain density is 1820 kg/m3. Fulle et al. (MNRAS 462, 2016) [3] posit 5 ± 2 volume % Fe-sulfides of density 4600 kg/m3, 28 ± 5% Mg,Fe-olivines and -pyroxenes of density 3200 kg/m3, 52 ± 12% hydrocarbons of density 1200 kg/m3, and 15 ± 6% ices of 917 kg/m3. This composition yields a primordial grain density (dust + ice) of 1885 ± 240 kg/m3. Both of these cometary density estimates [2,3] are consistent with Pluto-Charon, especially as Pluto's uncompressed (STP) density is close to 1820 kg/m3 and that of the system as a whole is close to 1800 kg/m3 [1]. We consider the potential compositional and structural implications of these proposed 67P/Ch-G compositions when applied to Pluto and Charon. The amount of ice in model A of [2] is a good match to Pluto structural models. Their rock/organics component, however, is taken to be half graphite (2000 kg/m3) by volume. The composition in [3] is more divergent: very ice poor, and on the order of 50% light hydrocarbons by volume. Regardless of the differences between [2] and [3], the possibility of massive internal graphite or carbonaceous layers within Pluto is real. We discuss the possible consequences for Pluto's structure, rock/ice ratio, thermal and chemical evolution, and even interpretation of its gravity field from tectonics. For example, radiogenic heat

  14. Stability of Bulk Metallic Glass Structure. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Jain, H.; Williams, D. B.

    2003-06-01

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

  15. 10Be measurements at MALT using reduced-size samples of bulk sediments

    Science.gov (United States)

    Horiuchi, Kazuho; Oniyanagi, Itsumi; Wasada, Hiroshi; Matsuzaki, Hiroyuki

    2013-01-01

    In order to establish 10Be measurements on reduced-size (1-10 mg) samples of bulk sediments, we investigated four different pretreatment designs using lacustrine and marginal-sea sediments and the AMS system of the Micro Analysis Laboratory, Tandem accelerator (MALT) at The University of Tokyo. The 10Be concentrations obtained from the samples of 1-10 mg agreed within a precision of 3-5% with the values previously determined using corresponding ordinary-size (∼200 mg) samples and the same AMS system. This fact demonstrates reliable determinations of 10Be with milligram levels of recent bulk sediments at MALT. On the other hand, a clear decline of the BeO- beam with tens of micrograms of 9Be carrier suggests that the combination of ten milligrams of sediments and a few hundred micrograms of the 9Be carrier is more convenient at this stage.

  16. {sup 10}Be measurements at MALT using reduced-size samples of bulk sediments

    Energy Technology Data Exchange (ETDEWEB)

    Horiuchi, Kazuho, E-mail: kh@cc.hirosaki-u.ac.jp [Graduate School of Science and Technology, Hirosaki University, 3, Bunkyo-chou, Hirosaki, Aomori 036-8561 (Japan); Oniyanagi, Itsumi [Graduate School of Science and Technology, Hirosaki University, 3, Bunkyo-chou, Hirosaki, Aomori 036-8561 (Japan); Wasada, Hiroshi [Institute of Geology and Paleontology, Graduate school of Science, Tohoku University, 6-3, Aramaki Aza-Aoba, Aoba-ku, Sendai 980-8578 (Japan); Matsuzaki, Hiroyuki [MALT, School of Engineering, University of Tokyo, 2-11-16, Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan)

    2013-01-15

    In order to establish {sup 10}Be measurements on reduced-size (1-10 mg) samples of bulk sediments, we investigated four different pretreatment designs using lacustrine and marginal-sea sediments and the AMS system of the Micro Analysis Laboratory, Tandem accelerator (MALT) at University of Tokyo. The {sup 10}Be concentrations obtained from the samples of 1-10 mg agreed within a precision of 3-5% with the values previously determined using corresponding ordinary-size ({approx}200 mg) samples and the same AMS system. This fact demonstrates reliable determinations of {sup 10}Be with milligram levels of recent bulk sediments at MALT. On the other hand, a clear decline of the BeO{sup -} beam with tens of micrograms of {sup 9}Be carrier suggests that the combination of ten milligrams of sediments and a few hundred micrograms of the {sup 9}Be carrier is more convenient at this stage.

  17. On the adsorption properties of magnetic fluids: Impact of bulk structure

    Energy Technology Data Exchange (ETDEWEB)

    Kubovcikova, Martina [Institute of Experimental Physics, Slovak Academy of Sciences, Kosice (Slovakia); Gapon, Igor V. [Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Dubna (Russian Federation); Physics Department, Kyiv Taras Shevchenko National University, Kyiv (Ukraine); Zavisova, Vlasta [Institute of Experimental Physics, Slovak Academy of Sciences, Kosice (Slovakia); Koneracka, Martina, E-mail: konerack@saske.sk [Institute of Experimental Physics, Slovak Academy of Sciences, Kosice (Slovakia); Petrenko, Viktor I. [Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Dubna (Russian Federation); Physics Department, Kyiv Taras Shevchenko National University, Kyiv (Ukraine); Soltwedel, Olaf [Max-Planck-Institut for Solid State Research, Outstation at MLZ, Garching (Germany); Almasy, László [Wigner Research Centre for Physics, Hungarian Academy of Sciences, Budapest (Hungary); Avdeev, Mikhail V. [Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Dubna (Russian Federation); Physical Faculty, St. Petersburg State University, Saint Petersburg (Russian Federation); Kopcansky, Peter [Institute of Experimental Physics, Slovak Academy of Sciences, Kosice (Slovakia)

    2017-04-01

    Adsorption of nanoparticles from magnetic fluids (MFs) on solid surface (crystalline silicon) was studied by neutron reflectometry (NR) and related to the bulk structural organization of MFs concluded from small-angle neutron scattering (SANS). The initial aqueous MF with nanomagnetite (co-precipitation reaction) stabilized by sodium oleate and MF modified by a biocompatible polymer, poly(ethylene glycol) (PEG), were considered. Regarding the bulk structure it was confirmed in the SANS experiment that comparatively small and compact (size~30 nm) aggregates of nanoparticle in the initial sample transfer to large and developed (size>130 nm, fractal dimension 2.7) associates in the PEG modified MF. This reorganization in the aggregates correlates with the changes in the neutron reflectivity that showed that a single adsorption layer of individual nanoparticles on the oxidized silicon surface for the initial MF disappears after the PEG modification. It is concluded that all particles in the modified fluid are in the aggregates that are not adsorbed by silicon. - Highlights: • Different bulk structure of initial MF and PEG modified MF was confirmed. • PEG modification of MF transforms small MNPs aggregates to large and developed. • Individual non-aggregated nanoparticles are preferably adsorbed on oxidized silicon. • Nanoparticles from MF form a single adsorption layer on the silicon surface. • PEG modified MF compose large developed aggregates that are not adsorbed by surface.

  18. On the adsorption properties of magnetic fluids: Impact of bulk structure

    International Nuclear Information System (INIS)

    Kubovcikova, Martina; Gapon, Igor V.; Zavisova, Vlasta; Koneracka, Martina; Petrenko, Viktor I.; Soltwedel, Olaf; Almasy, László; Avdeev, Mikhail V.; Kopcansky, Peter

    2017-01-01

    Adsorption of nanoparticles from magnetic fluids (MFs) on solid surface (crystalline silicon) was studied by neutron reflectometry (NR) and related to the bulk structural organization of MFs concluded from small-angle neutron scattering (SANS). The initial aqueous MF with nanomagnetite (co-precipitation reaction) stabilized by sodium oleate and MF modified by a biocompatible polymer, poly(ethylene glycol) (PEG), were considered. Regarding the bulk structure it was confirmed in the SANS experiment that comparatively small and compact (size~30 nm) aggregates of nanoparticle in the initial sample transfer to large and developed (size>130 nm, fractal dimension 2.7) associates in the PEG modified MF. This reorganization in the aggregates correlates with the changes in the neutron reflectivity that showed that a single adsorption layer of individual nanoparticles on the oxidized silicon surface for the initial MF disappears after the PEG modification. It is concluded that all particles in the modified fluid are in the aggregates that are not adsorbed by silicon. - Highlights: • Different bulk structure of initial MF and PEG modified MF was confirmed. • PEG modification of MF transforms small MNPs aggregates to large and developed. • Individual non-aggregated nanoparticles are preferably adsorbed on oxidized silicon. • Nanoparticles from MF form a single adsorption layer on the silicon surface. • PEG modified MF compose large developed aggregates that are not adsorbed by surface.

  19. Bulk Nano-structured Materials for Turbomachinery Components, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This SBIR Phase I effort seeks to exploit some of the tremendous benefits that could be attained from a revolutionary new approach to grain refinement in bulk...

  20. Observation of structural universality in disordered systems using bulk diffusion measurement

    Science.gov (United States)

    Papaioannou, Antonios; Novikov, Dmitry S.; Fieremans, Els; Boutis, Gregory S.

    2017-12-01

    We report on an experimental observation of classical diffusion distinguishing between structural universality classes of disordered systems in one dimension. Samples of hyperuniform and short-range disorder were designed, characterized by the statistics of the placement of micrometer-thin parallel permeable barriers, and the time-dependent diffusion coefficient was measured by NMR methods over three orders of magnitude in time. The relation between the structural exponent, characterizing disorder universality class, and the dynamical exponent of the diffusion coefficient is experimentally verified. The experimentally established relation between structure and transport exemplifies the hierarchical nature of structural complexity—dynamics are mainly determined by the universality class, whereas microscopic parameters affect the nonuniversal coefficients. These results open the way for noninvasive characterization of structural correlations in porous media, complex materials, and biological tissues via a bulk diffusion measurement.

  1. Characteristics of slowly cooled Zr-Al-Cu-Ni bulk samples with different oxygen content

    International Nuclear Information System (INIS)

    Gebert, A.; Eckert, J.; Bauer, H.-D.; Schultz, L.

    1998-01-01

    Bulk samples of the glass-forming Zr 65 Al 7.5 Cu 17.5 Ni 10 and Zr 55 Al 10 Cu 30 Ni 5 alloys with 3 mm diameter were prepared by die casting into a copper mould. The oxygen content of the samples was varied between 0.26 at.% and 0.73 at.% by adjusting the oxygen partial pressure in the argon atmosphere upon casting. Characterization of the microstructure of as-cast samples and of specimens continuously heated to 873 K was carried out by X-ray diffraction (XRD), optical microscopy (OM) and transmission electron microscopy (TEM). Thermal stability was investigated by constant-rate differential scanning calorimetry (DSC). The phase formation and the thermal stability of the slowly cooled zirconium-based bulk samples are essentially influenced by the oxygen content of the material. Furthermore, the sensitivity to oxygen depends on the composition of the alloy. In bulk Zr 65 Al 7.5 Cu 17.5 Ni 10 samples only small oxygen traces induce nucleation and crystal growth during slow cooling whereas Zr 55 Al 10 Cu 30 Ni 5 samples are completely amorphous for all oxygen contents investigated. The processes of the oxygen-induced phase formation are discussed in detail also with respect to the results obtained for the heat treated samples. With increasing oxygen content the thermal stability deteriorates, as it is obvious from a diminution of the supercooled liquid region (ΔT x = T x - T g ) which is mainly due to a reduction of the crystallization temperature T x . Furthermore, the thermal behaviour of Zr 65 Al 7.5 Cu 17.5 Ni 10 and Zr 55 Al 10 Cu 30 Ni 5 reveals significant differences. (orig.)

  2. Trapped field measurements on MgB{sub 2} bulk samples

    Energy Technology Data Exchange (ETDEWEB)

    Koblischka, Michael; Karwoth, Thomas; Zeng, XianLin; Hartmann, Uwe [Institute of Experimental Physics, Saarland University, P. O. Box 151150, D-66041 Saarbruecken (Germany); Berger, Kevin; Douine, Bruno [University of Lorraine, GREEN, 54506 Vandoeuvre-les-Nancy (France)

    2016-07-01

    Trapped field measurements were performed on bulk, polycrystalline MgB{sub 2} samples stemming from different sources with the emphasis to develop applications like superconducting permanent magnets ('supermagnets') and electric motors. We describe the setup for the trapped field measurements and the experimental procedure (field cooling, zero-field cooling, field sweep rates). The trapped field measurements were conducted using a cryocooling system to cool the bulk samples to the desired temperatures, and a low-loss cryostat equipped with a room-temperature bore and a maximum field of ±5 T was employed to provide the external magnetic field. The superconducting coil of this cryostat is operated using a bidirectional power supply. Various sweep rates of the external magnetic field ranging between 1 mT/s and 40 mT/s were used to generate the applied field. The measurements were performed with one sample and two samples stacked together. A maximum trapped field of 7 T was recorded. We discuss the results obtained and the problems arising due to flux jumping, which is often seen for the MgB{sub 2} samples cooled to temperatures below 10 K.

  3. Composition of bulk samples and a possible pristine clast from Allan Hills A81005

    Science.gov (United States)

    Boynton, W. V.; Hill, D. H.

    1983-01-01

    Abundances of thirty-five elements were determined in two bulk samples and a white clast in the Allan Hills A81005 meteorite. High siderophile element content indicates that the sample is a regolith breccia. An Fe/Mn ratio of 77 in this meteorite eliminates parent bodies of known differentiated meteorites as the source of ALHA 81005. The incompatible elements are very similar to those found in most lunar highlands rocks, and provide very strong evidence that the sample is lunar in origin. The clast sample has the trace element pattern of a lunar anorthosite and is very low in KREEP and siderophile elements. It may be a fragment of a pristine lunar rock.

  4. Thermal investigation of nanostructured bulk thermoelectric materials with hierarchical structures: An effective medium approach

    Science.gov (United States)

    Hao, Qing; Zhao, Hongbo; Xiao, Yue; Xu, Dongchao

    2018-01-01

    In recent years, hierarchical structures have been intensively studied as an effective approach to tailor the electron and phonon transport inside a bulk material for thermoelectric applications. With atomic defects and nano- to micro-scale structures in a bulk material, the lattice thermal conductivity can be effectively suppressed across the whole phonon spectrum, while maintaining or somewhat enhancing the electrical properties. For general materials with superior electrical properties, high thermoelectric performance can be achieved using hierarchical structures to minimize the lattice thermal conductivity. Despite many encouraging experimental results, accurate lattice thermal conductivity predictions are still challenging for a bulk material with hierarchical structures. In this work, an effective medium formulation is developed for nanograined bulk materials with embedded nanostructures for frequency-dependent phonon transport analysis. This new formulation is validated with frequency-dependent phonon Monte Carlo simulations. For high-temperature thermoelectric applications, nanograined bulk ZnO with embedded GaN nanoparticles is studied with the formulation.

  5. Preparation and Characterization of Mg1-xB2 Bulk Samples and Cu/Nb Sheathed Wires with Low Grade Amorphous Boron Powder

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude; Alexiou, Aikaterini; Rubesova, Katerina

    2014-01-01

    MgB2 bulk and wire samples were prepared using cheap, low grade amorphous boron powders. Based on chemical analysis performed on the starting reagents, three nominal stoichiometries were studied. It was found that the structural and superconducting properties of the bulk samples were not affected...... by the composition, but that residual Mg was left in the wires for the nominal MgB2 composition. In contrast, slightly Mg-deficient compositions were free from residual Mg and exhibited higher critical current densities. The MgB2 phase formation kinetics was not influenced by the variations in the nominal powder...

  6. Automated Clean Chemistry for Bulk Analysis of Environmental Swipe Samples - FY17 Year End Report

    Energy Technology Data Exchange (ETDEWEB)

    Ticknor, Brian W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Metzger, Shalina C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); McBay, Eddy H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Hexel, Cole R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Tevepaugh, Kayron N. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bostick, Debra A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-11-30

    Sample preparation methods for mass spectrometry are being automated using commercial-off-the-shelf (COTS) equipment to shorten lengthy and costly manual chemical purification procedures. This development addresses a serious need in the International Atomic Energy Agency’s Network of Analytical Laboratories (IAEA NWAL) to increase efficiency in the Bulk Analysis of Environmental Samples for Safeguards program with a method that allows unattended, overnight operation. In collaboration with Elemental Scientific Inc., the prepFAST-MC2 was designed based on COTS equipment. It was modified for uranium/plutonium separations using renewable columns packed with Eichrom TEVA and UTEVA resins, with a chemical separation method based on the Oak Ridge National Laboratory (ORNL) NWAL chemical procedure. The newly designed prepFAST-SR has had several upgrades compared with the original prepFAST-MC2. Both systems are currently installed in the Ultra-Trace Forensics Science Center at ORNL.

  7. On the adsorption properties of magnetic fluids: Impact of bulk structure

    Science.gov (United States)

    Kubovcikova, Martina; Gapon, Igor V.; Zavisova, Vlasta; Koneracka, Martina; Petrenko, Viktor I.; Soltwedel, Olaf; Almasy, László; Avdeev, Mikhail V.; Kopcansky, Peter

    2017-04-01

    Adsorption of nanoparticles from magnetic fluids (MFs) on solid surface (crystalline silicon) was studied by neutron reflectometry (NR) and related to the bulk structural organization of MFs concluded from small-angle neutron scattering (SANS). The initial aqueous MF with nanomagnetite (co-precipitation reaction) stabilized by sodium oleate and MF modified by a biocompatible polymer, poly(ethylene glycol) (PEG), were considered. Regarding the bulk structure it was confirmed in the SANS experiment that comparatively small and compact (size 30 nm) aggregates of nanoparticle in the initial sample transfer to large and developed (size>130 nm, fractal dimension 2.7) associates in the PEG modified MF. This reorganization in the aggregates correlates with the changes in the neutron reflectivity that showed that a single adsorption layer of individual nanoparticles on the oxidized silicon surface for the initial MF disappears after the PEG modification. It is concluded that all particles in the modified fluid are in the aggregates that are not adsorbed by silicon.

  8. Round-robins in the area of uranium and plutonium bulk analysis of environmental samples

    International Nuclear Information System (INIS)

    Fabien Pointurier; Williams, R.W.; LaMont, S.P.; Steiner, R.E.; Bostick, D.A.; Olsen, K.B.; Wogman, N.A.

    2013-01-01

    In the framework of a collaboration between laboratories involved in bulk U and Pu analysis of environmental samples (DIF centre of the French Commissariat a l'Energie Atomique, US National Laboratories of New Brunswick, Lawrence Livermore, Pacific Northwest, Oak Ridge, and Los Alamos), two round-robins were organised, each one consisting of the complete analysis (chemical preparation and isotope measurement) of three Quality Control samples. The samples were 10 x 10 cm cotton tissues ('swipe samples') containing low amounts of U (from ∼20 to ∼150 ng) and Pu (from ∼0.15 to ∼10 pg). Despite using different spikes, different methods of sample preparation and different analytical instrumentation, the results for U and Pu contents and isotopic compositions reported by all laboratories are globally in good agreement. All laboratories are able to measure sub-pg amounts of U and Pu isotopes with acceptable accuracy and reproducibility, even if limited discrepancies are observed affecting one or other measurement and/or laboratory. General and laboratory specific recommendations were discussed and adopted to continue to improve the accuracy and precision of the measurements. (author)

  9. Structurally enhanced anelasticity in Zr-based bulk metallic glasses

    International Nuclear Information System (INIS)

    Caron, A.; Wunderlich, R.; Gu, L.; Fecht, H.-J.

    2011-01-01

    Research highlights: → The authors reports on the occurrence of mesostructure in the Zr 63-x Cu 24 Al x Ni 10 Co 3 with a length scale in the 250-400 nm range, depending on the aluminum content. → The frequency dependence of the longitudinal sound velocity correlates with the measured mesostructural lengths while interpreting the ultrasonic data with the thermoelastic model. → It appears that the mesostructural length scale is a governing parameter for the mechanical behavior of this alloys system. → The present work first demonstrates the interplay of mesostructure and mechanical behavior of metallic glasses. -- Atomic force acoustic microscopy was used to image bulk metallic glasses of composition Zr 63-x Cu 24 Al x Ni 10 Co 3 with 8 < x < 15. The elastic contrast was modulated on a length scale of 250-400 nm. A similar modulation was identified by transmission electron microscopy. Using the thermoelastic, model a good correlation between the observed anelasticity and the evidenced mesostructure was obtained.

  10. Sample dependent response of a LaCl{sub 3}:Ce detector in prompt gamma neutron activation analysis of bulk hydrocarbon samples

    Energy Technology Data Exchange (ETDEWEB)

    Naqvi, A.A., E-mail: aanaqvi@kfupm.edu.sa [Department of Physics, King Fahd University of Petroleum and Minerals, Dhahran (Saudi Arabia); Al-Matouq, Faris A.; Khiari, F.Z. [Department of Physics, King Fahd University of Petroleum and Minerals, Dhahran (Saudi Arabia); Isab, A.A. [Department of Chemistry, King Fahd University of Petroleum and Minerals, Dhahran (Saudi Arabia); Khateeb-ur-Rehman,; Raashid, M. [Department of Physics, King Fahd University of Petroleum and Minerals, Dhahran (Saudi Arabia)

    2013-08-11

    The response of a LaCl{sub 3}:Ce detector has been found to depend upon the hydrogen content of bulk samples in prompt gamma analysis using 14 MeV neutron inelastic scattering. The moderation of 14 MeV neutrons from hydrogen in the bulk sample produces thermal neutrons around the sample which ultimately excite chlorine capture gamma rays in the LaCl{sub 3}:Ce detector material. Interference of 6.11 MeV chlorine gamma rays from the detector itself with 6.13 MeV oxygen gamma rays from the bulk samples makes the intensity of the 6.13 MeV oxygen gamma ray peak relatively insensitive to variations in oxygen concentration. The strong dependence of the 1.95 MeV doublet chlorine gamma ray yield on hydrogen content of the bulk samples confirms fast neutron moderation from hydrogen in the bulk samples as a major source of production of thermal neutrons and chlorine gamma rays in the LaCl{sub 3}:Ce detector material. Despite their poor oxygen detection capabilities, these detectors have nonetheless excellent detection capabilities for hydrogen and carbon in benzene, butyl alcohol, propanol, propanic acid, and formic acid bulk samples using 14 MeV neutron inelastic scattering.

  11. Localized heuristic inverse quantitative structure activity relationship with bulk descriptors using numerical gradients.

    Science.gov (United States)

    Stålring, Jonna; Almeida, Pedro R; Carlsson, Lars; Helgee Ahlberg, Ernst; Hasselgren, Catrin; Boyer, Scott

    2013-08-26

    State-of-the-art quantitative structure-activity relationship (QSAR) models are often based on nonlinear machine learning algorithms, which are difficult to interpret. From a pharmaceutical perspective, QSARs are used to enhance the chemical design process. Ultimately, they should not only provide a prediction but also contribute to a mechanistic understanding and guide modifications to the chemical structure, promoting compounds with desirable biological activity profiles. Global ranking of descriptor importance and inverse QSAR have been used for these purposes. This paper introduces localized heuristic inverse QSAR, which provides an assessment of the relative ability of the descriptors to influence the biological response in an area localized around the predicted compound. The method is based on numerical gradients with parameters optimized using data sets sampled from analytical functions. The heuristic character of the method reduces the computational requirements and makes it applicable not only to fragment based methods but also to QSARs based on bulk descriptors. The application of the method is illustrated on congeneric QSAR data sets, and it is shown that the predicted influential descriptors can be used to guide structural modifications that affect the biological response in the desired direction. The method is implemented into the AZOrange Open Source QSAR package. The current implementation of localized heuristic inverse QSAR is a step toward a generally applicable method for elucidating the structure activity relationship specifically for a congeneric region of chemical space when using QSARs based on bulk properties. Consequently, this method could contribute to accelerating the chemical design process in pharmaceutical projects, as well as provide information that could enhance the mechanistic understanding for individual scaffolds.

  12. Linking structure to fragility in bulk metallic glass-forming liquids

    International Nuclear Information System (INIS)

    Wei, Shuai; Stolpe, Moritz; Gross, Oliver; Gallino, Isabella; Hembree, William; Busch, Ralf; Evenson, Zach; Bednarcik, Jozef; Kruzic, Jamie J.

    2015-01-01

    Using in-situ synchrotron X-ray scattering, we show that the structural evolution of various bulk metallic glass-forming liquids can be quantitatively connected to their viscosity behavior in the supercooled liquid near T g . The structural signature of fragility is identified as the temperature dependence of local dilatation on distinct key atomic length scales. A more fragile behavior results from a more pronounced thermally induced dilatation of the structure on a length scale of about 3 to 4 atomic diameters, coupled with shallower temperature dependence of structural changes in the nearest neighbor environment. These findings shed light on the structural origin of viscous slowdown during undercooling of bulk metallic glass-forming liquids and demonstrate the promise of predicting the properties of bulk metallic glasses from the atomic scale structure

  13. Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

    Energy Technology Data Exchange (ETDEWEB)

    Lollobrigida, V. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F. [Istituto Nazionale di Ricerca Metrologica (INRIM), I-10135 Torino (Italy); Borgatti, F. [CNR, Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), I-40129 Bologna (Italy); Torelli, P.; Panaccione, G. [CNR, Istituto Officina dei Materiali (IOM), Lab. TASC, I-34149 Trieste (Italy); Tortora, L. [Laboratorio di Analisi di Superficie, Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Ingegneria Meccanica, Università Tor Vergata, I-00133 Rome (Italy); Stefani, G.; Offi, F. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy)

    2014-05-28

    We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

  14. Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

    International Nuclear Information System (INIS)

    Lollobrigida, V.; Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Borgatti, F.; Torelli, P.; Panaccione, G.; Tortora, L.; Stefani, G.; Offi, F.

    2014-01-01

    We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

  15. Somatic Cells in Bulk Samples and Purchase Prices of Cow Milk

    Directory of Open Access Journals (Sweden)

    Jindřich Kvapilík

    2017-01-01

    Full Text Available There were calculated the somatic cell count (SCC 209 (36 – 468 103ml–1, the total count of microorganisms (TCM 25 103ml–1 (from 5 to 377, fat 3.84 % (from 3.23 to 4.46 and protein content 3.39 % (from 3.04 to 3.75 and milk freezing point (MFP –0.525 °C (from –0.534 to –0.395 of the 522 monthly bulk milk samples from 11 experimental stables during the period from 2012 to 2015. Residues of inhibitory substances were not detected in any sample. Milk sale reached 7,999 liters (l with fluctuating between 6,150 and 10,532 l per cow. This can be deduced from the regression coefficients that due to increase in the SCC by 100 103ml–1 the TCM increased by 2.9 to 4.2 103ml–1, the fat content decreased by 0.09 to 0.13 % and protein about 0.01 to 0.05 %. Influence of SCC, TCM and the fat and protein content calculated from monthly samples for individual stables can be estimated at –0.12 CZC, fluctuations between the stables at +0.46 to –0.84 CZC per l of milk. The increase in milk price by 0.17 CZC in the range of –0.92 to +0.92 CZC per l of milk corresponds to averages of indicators calculated from 522 samples.

  16. Ferromagnetism at room temperature in Co-doped KNbO{sub 3} bulk samples

    Energy Technology Data Exchange (ETDEWEB)

    Astudillo, A., E-mail: jaastudillo@unicauca.edu.co [Low Temperature Laboratory, Department of Physics, University of Cauca, Calle 5 No. 4-70, Popayán (Colombia); Izquierdo, J.L. [Universidad Nacional de Colombia, Campus Medellín, Departamento de Física, Laboratorio de Materiales Cerámicos y Vítreos, A.A. 568, Medellín (Colombia); Gómez, A. [Universidad Nacional de Colombia, Campus Medellín, Facultad de Minas, Laboratorio de Caracterización de Materiales, A.A. 568, Medellín (Colombia); Bolaños, G. [Low Temperature Laboratory, Department of Physics, University of Cauca, Calle 5 No. 4-70, Popayán (Colombia); Morán, O. [Universidad Nacional de Colombia, Campus Medellín, Departamento de Física, Laboratorio de Materiales Cerámicos y Vítreos, A.A. 568, Medellín (Colombia)

    2015-01-01

    In this work, polycrystalline KNb{sub 1−x}Co{sub x}O{sub 3} (x=0, 0.05 and 0.1) samples were synthesized through standard solid-state reaction, and their structural and magnetic properties were carefully studied. The X-ray powder diffraction (XRD) patterns show reflections of a pure orthorhombic structure (space group Bmm2) with lattice parameters being very close to those reported in the literature. The most important point here is that all the samples ended up being single-phase with no affectation by impurities or segregates. The XRD peaks of Co-doped samples are broadened and shifted to the right side as compared to those of the pristine compound (x=0) suggesting effective substitution of Nb by Co ions. The Co-doped samples exhibit ferromagnetic properties at room temperature, which contrasts starkly with the paramagnetic behavior exhibited by the undoped sample. Interactions between bound magnetic polarons are considered as a possible scenario to explain the appearance of the ferromagnetic signal in the Co-doped samples. - Highlights: • Polycrystalline KNb{sub 1−x}Co{sub x}O{sub 3} (x=0, 0.05 and 0.1) is synthesized by physical route. • XRD patterns show reflections of a pure orthorhombic structure. • No affectation by impurities or segregates is verified by XRD analysis. • The Co-doped samples exhibit ferromagnetic properties at room temperature.

  17. Estimation of the deoxynivalenol and moisture contents of bulk wheat grain samples by FT-NIR spectroscopy

    Science.gov (United States)

    Deoxynivalenol (DON) levels in harvested grain samples are used to evaluate the Fusarium head blight (FHB) resistance of wheat cultivars and breeding lines. Fourier transform near-infrared (FT-NIR) calibrations were developed to estimate the DON and moisture content (MC) of bulk wheat grain samples ...

  18. The structural properties of Zr-based bulk metallic glasses subjected to high pressure torsion at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Boltynjuk, E. V., E-mail: boltynjuk@gmail.com; Ubyivovk, E. V.; Kshumanev, A. M. [Saint Petersburg State University, 28 Universitetskiy pr., Saint Petersburg, 198504 (Russian Federation); Gunderov, D. V.; Lukianov, A. V. [Ufa State Aviation Technical University, K. Marks 12, Ufa, 450000 (Russian Federation); Bednarz, A. [Faculty of Mechanical Engineering and Aeronautics, Department of Aircraft and Aircraft Engines, Rzeszow University of Technology, Al. Powstancow Warszawy 8, 35-959 Rzeszow (Poland); Valiev, R. Z. [Saint Petersburg State University, 28 Universitetskiy pr., Saint Petersburg, 198504 (Russian Federation); Ufa State Aviation Technical University, K. Marks 12, Ufa, 450000 (Russian Federation)

    2016-06-17

    The structural properties of a Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} bulk metallic glasses were investigated. Cylindrical rods of the Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} BMG were subjected to high pressure torsion at temperatures of 20°C and 150°C. X-ray diffraction, transmission electron microscopy were used to determine peculiarities of the modified structure. Analysis of fracture surfaces, nanohardness measurements were conducted to investigate the influence of structural changes on mechanical behavior of processed samples.

  19. Structural and mechanical properties of a giomer-based bulk fill restorative in different curing conditions

    Directory of Open Access Journals (Sweden)

    Mustafa Sarp Kaya

    2018-01-01

    Full Text Available ABSTRACT Objective: The main goal of this study was to compare the polymerization degree of bulk-fill giomer resin cured with three different light-curing units (LCUs: a polywave third-generation (Valo; a monowave (DemiUltra: DU; and a second-generation LED (Optima 10: Opt LCUs by using structural and mechanical properties. Material and methods: Giomer samples of 2 and 4 mm cured with three LCUs were employed in vitro analysis. The degree of curing (DC% was determined with Fourier-Transform Infrared Spectroscopy (FTIR. Microstructural features were observed with scanning electron microscopy (SEM. Flexural strength (FS, compression strength (CS, elastic modulus and fracturing strain were determined for mechanical properties. Surface microhardness (SMH values were also measured. Oneway ANOVA, two-way analysis of variance and Tukey multiple comparison tests were used for statistically analyzing the FS and SMH. Results: DC% values were 58.2, 47.6, and 39.7 for the 2 mm samples cured with DU, Opt., and Valo LCUs, respectively. DC% values of the 4 mm samples were 50.4, 44.6, and 38.2 for DU, Opt, and Valo, respectively. SMH values were Valo, Optsamples; Valosamples cured with Opt and DU exhibited higher FS values than Valo. CS values were similar but compressive modulus and fracturing strain (% varied depending on the curing protocol. Conclusions: Based on the results, it can be concluded that curing device and protocol strongly affect crosslinking reactions and thus DC%, SMH, compressive modulus and strain at break values. Consequently, it can be deduced that curing protocol is possibly the most important parameter for microstructure formation of highly-filled composite restoratives because it may bring some structural defects and physical frailties on restorations due to lower degree of polymerization.

  20. Factors associated with Salmonella presence in environmental samples and bulk tank milk from US dairies.

    Science.gov (United States)

    Ruzante, J M; Lombard, J E; Wagner, B; Fossler, C P; Karns, J S; Van Kessel, J A S; Gardner, I A

    2010-12-01

    The objective of this study was to evaluate herd characteristics and management practices associated with presence of Salmonella in the farm environment and in bulk tank milk (BTM) in US dairy herds. Herd management data, environmental culture, BTM and in-line milk filter polymerase chain reaction results for Salmonella from 260 US dairy herds surveyed during the National Animal Health Monitoring System Dairy 2007 study were analysed. Herd characteristics and management practices were screened by univariate analysis, and selected variables were used to construct a logistic regression model to identify factors associated with the presence of Salmonella in environmental samples. To identify factors associated with the occurrence of Salmonella in BTM and milk filters, a priori selected variables that were related to milking procedures were analysed univariately and a logistic regression model was constructed. The presence of Salmonella in the farm environment was associated with location of the operation in the East (OR = 4.8; CI: 1.9-11.6), not using a broadcast manure spreader (OR = 3.2; CI: 1.4-7.5), use of bovine somatotropin (BST) (OR = 2.7; CI: 1.5-5.0) and use of anionic salts (OR = 2.2; CI: 1.2-3.9). In the final multivariable model, herds with fewer than 100 cows were at decreased odds (OR = 0.3; CI: 0.1-0.7) of being culture positive for Salmonella as were herds with between 100 and 499 cows (OR = 0.4; CI: 0.2-0.8) compared with herds having 500 or more cows. The presence of culture-positive environmental samples and herd size were significantly associated with Salmonella BTM contamination. The herd-level factors identified in this study were in agreement with prior studies but also identified other potential factors that can be targeted in Salmonella control programmes. © 2010 Blackwell Verlag GmbH.

  1. Three-dimensionality of the bulk electronic structure in WTe2

    Science.gov (United States)

    Wu, Yun; Jo, Na Hyun; Mou, Daixiang; Huang, Lunan; Bud'ko, S. L.; Canfield, P. C.; Kaminski, Adam

    2017-05-01

    We use temperature- and field-dependent resistivity measurements (Shubnikov-de Haas quantum oscillations) and ultrahigh-resolution, tunable, vacuum ultraviolet laser-based angle-resolved photoemission spectroscopy (ARPES) to study the three-dimensionality (3D) of the bulk electronic structure in WTe 2 , a type II Weyl semimetal. The bulk Fermi surface (FS) consists of two pairs of electron pockets and two pairs of hole pockets along the X -Γ -X direction as detected by using an incident photon energy of 6.7 eV, which is consistent with the previously reported data. However, if using an incident photon energy of 6.36 eV, another pair of tiny electron pockets is detected on both sides of the Γ point, which is in agreement with the small quantum oscillation frequency peak observed in the magnetoresistance. Therefore, the bulk, 3D FS consists of three pairs of electron pockets and two pairs of hole pockets in total. With the ability of fine tuning the incident photon energy, we demonstrate the strong three-dimensionality of the bulk electronic structure in WTe 2 . The combination of resistivity and ARPES measurements reveals the complete, and consistent, picture of the bulk electronic structure of this material.

  2. The bulk and interfacial electronic and chemical structure of amorphous hydrogenated boron carbide

    Science.gov (United States)

    Driver, Marcus Sky

    The chemical and electronic structure, as related to the surface, interface and bulk of amorphous hydrogenated boron carbide (a-BxC:H y), is of interest in neutron detection and microelectronics. This dissertation investigates the chemical and electronic structure of semiconducting thin-film a-BxC:Hy grown by plasma enhanced chemical vapor deposition (PECVD) of ortho-carborane (1,2-C2B10H12). Experimental methods used include: x-ray and ultraviolet photoelectron spectroscopies (XPS/UPS) and x-ray absorption/emission spectroscopies (XAS/XES). These methods were used to investigate the chemical species, bonding and hybridizations, and band gaps of a-BxC:Hy prepared or treated under varying conditions. Additionally, a detailed examination of the formation of Schottky barriers was implemented. Throughout this dissertation the chemical structure was studied. One study was to understand various growth conditions. The effects of the PECVD growth parameters were evaluated by comparing changes in atomic percentages (at.%'s) between thin-films from various substrate temperatures. Additionally, detailed studies of the photoelectron core level under two different growth conditions were undertaken to evaluate the effects of pre-/post- argon ion etching (Ar+) for the following: the chemical structural change for both an as grown (AG) and in-situ thermal treatment (500°C), and post Ar+ etch of samples thermally treated ranging from as grown to 850°C. The as grown and in-situ treated samples were used in conjunction to determine the formation of the Schottky barrier. The electronic structure was determined by the changes within the valence band of the thermally treated samples and formation of Schottky barrier. Thermally treated samples (as grown to 850°C) were further evaluated with respect to their occupied and unoccupied electronic states. The atomic percentage gave a stoichiometry range for a-B xC:Hy (given as x=1.5 to 3.0 with y= decreases with thermal treatment and Oz: z

  3. Structural and mechanical properties of a giomer-based bulk fill restorative in different curing conditions

    Science.gov (United States)

    Kaya, Mustafa Sarp; Bakkal, Meltem; Durmus, Ali; Durmus, Zehra

    2018-01-01

    ABSTRACT Objective The main goal of this study was to compare the polymerization degree of bulk-fill giomer resin cured with three different light-curing units (LCUs): a polywave third-generation (Valo); a monowave (DemiUltra: DU); and a second-generation LED (Optima 10: Opt) LCUs by using structural and mechanical properties. Material and methods Giomer samples of 2 and 4 mm cured with three LCUs were employed in vitro analysis. The degree of curing (DC%) was determined with Fourier-Transform Infrared Spectroscopy (FTIR). Microstructural features were observed with scanning electron microscopy (SEM). Flexural strength (FS), compression strength (CS), elastic modulus and fracturing strain were determined for mechanical properties. Surface microhardness (SMH) values were also measured. Oneway ANOVA, two-way analysis of variance and Tukey multiple comparison tests were used for statistically analyzing the FS and SMH. Results DC% values were 58.2, 47.6, and 39.7 for the 2 mm samples cured with DU, Opt., and Valo LCUs, respectively. DC% values of the 4 mm samples were 50.4, 44.6, and 38.2 for DU, Opt, and Valo, respectively. SMH values were Valo, Optcured with Opt and DU exhibited higher FS values than Valo. CS values were similar but compressive modulus and fracturing strain (%) varied depending on the curing protocol. Conclusions Based on the results, it can be concluded that curing device and protocol strongly affect crosslinking reactions and thus DC%, SMH, compressive modulus and strain at break values. Consequently, it can be deduced that curing protocol is possibly the most important parameter for microstructure formation of highly-filled composite restoratives because it may bring some structural defects and physical frailties on restorations due to lower degree of polymerization. PMID:29364336

  4. Improved magnetic-field homogeneity of NMR HTS bulk magnet using a new stacking structure and insertion of an HTS film cylinder into a bulk bore

    International Nuclear Information System (INIS)

    Itoh, Yoshitaka; Yanagi, Yousuke; Nakamura, Takashi

    2017-01-01

    A new type of superconducting bulk magnet for compact nuclear magnetic resonance (NMR) devices with high magnetic-field homogeneity has been developed by inserting an HTS film cylinder into a bulk superconductor bore. Annular 60 mmϕ Eu-Ba-Cu-O bulk superconductors with a larger inner diameter (ID) of 36 mm were sandwiched between bulk superconductors with a smaller ID of 28 mm, and the total height of the bulk superconductor set was made to be 120 mm. The inner height of central wide bore space was optimized by magnetic-field simulation so that the influence of the bulk superconductor's paramagnetic moment on applied field homogeneity was minimized during the magnetization process. An HTS film cylinder, in which Gd-Ba-Cu-O tapes were wound helically in three layers around a copper cylinder, was inserted into the bulk bore in order to compensate for the inhomogeneous field trapped by the bulk superconductor. The superconducting bulk magnet composed of the above bulk superconductor set and the film cylinder were cooled by a GM pulse tube refrigerator and magnetized at 4.747 T using the field cooling (FC) method and a conventional superconducting coil magnet adjusted to below 0.5 ppm in magnetic-field homogeneity. The NMR measurement was conducted for an H 2 O sample with a diameter of 6.9 mm and a length of 10 mm by setting the sample in the center of the 20 mm ID room-temperature bore of the bulk magnet. The magnetic-field homogeneity derived from the full width at half maximum (FWHM) of the 1 H spectrum of H 2 O was 0.45 ppm. We confirmed that the HTS film inner cylinder was effective in maintaining the homogeneity of the magnetic field applied in the magnetization process, and as a result, a magnetic field with a homogeneity of less than 1 ppm can be generated in the bore of the bulk magnet without using shim coils. (author)

  5. Non-destructive identification of micrometer-scale minerals and their position within a bulk sample

    DEFF Research Database (Denmark)

    Sørensen, Henning O.; Hakim, Sepide S.; Pedersen, Stefan

    2012-01-01

    . Crushing or disintegrating a sample annihilates any possibility for gathering information from the texture of the porous media or the mineral assemblage close to the grains in question. A new method using three-dimensional X-ray diffraction (3DXRD) microscopy can be successfully applied to natural...... materials. We combined X-ray microtomography (XMT) and 3DXRD to investigate a sample of very fine-grained chalk containing fracture minerals. The XMT technique provides three-dimensional images of the particles and pore structure at very high resolution (350 nm voxel dimension) on samples less than 500 μm...... on this pattern, Bragg diffraction peaks from the other crystalline phases were observed. Individual crystals of barite and pyrite only a few micrometers in diameter are present in the fractures. Magnetite, celestine and siderite, other minerals that might have been expected based on the XMT absorption contrast...

  6. [Detection of Coxiella burnetii in dairy cattle bulk tank milk and single tank milk samples by confirmatory testing].

    Science.gov (United States)

    Hilbert, Angela; Andres, Tatjana; Werner, Ralf; Wehr, Roswitha; Fröhlich, Andreas; Conraths, Franz J; Henning, Klaus

    2015-01-01

    Q fever is a worldwide zoonotic disease caused by the pathogen Coxiella (C.) burnetii. A wide range of animal species is susceptible to this intracellular bacterium with great importance in ruminants. Human infections occur mainly by airborne transmission. C burnetii was detected in animal products such as raw milk, raw-milk cheese and butter prepared from raw milk as well as in the meat of infected animals. In cattle milk, the pathogen was detected up to 13 months after calving. The risk of human foodborne C. Burnetii infection is still considered to be low, but cannot be completely ruled out and remains under discussion. The aim of this study was to compare different laboratory diagnostic methods for C. burnetii in milk sample. The bulk tank and individual milk samples were sent and studied at the National Reference Laboratory for Q-fever in the context of confirmatory laboratory testing after clinical suspicion or retesting of previously antibody detection was in the analysis of 888 individual milk samples a match of 93.3% (Cohen-kappa). A total of 173 bulk milk samples and 2,807 individual milk samples from bovine herds for the presence of C. burnetii DNA and antibodies were tested against the pathogen. The pathogen was detected in 62.5% of the bulk milk samples and up to 60% in individual milk samples. The highest proportion of positive bulk milks was determined as 68.3% in 2012. In individual milk samples, the highest proportion of seropositive samples was 62.2%.

  7. On the anelasticity and strain induced structural changes in a Zr-based bulk metallic glass

    International Nuclear Information System (INIS)

    Caron, A.; Louzguine-Luzguin, D. V.; Kawashima, A.; Inoue, A.; Fecht, H.-J.

    2011-01-01

    We report on the anelastic behavior of a cyclically loaded Zr 62.5 Fe 5 Cu 22.5 Al 10 bulk metallic glass well below its yield strength. The dynamic mechanical behavior of the glass is discussed on the basis of its structural and thermodynamic properties before and after tests. We show how the kinetically frozen anelastic deformation accumulates at room temperature and causes a structural relaxation and densification of the glass and further leads to its partial crystallization.

  8. Bulk and interfacial structures of reline deep eutectic solvent: A molecular dynamics study

    Science.gov (United States)

    Kaur, Supreet; Sharma, Shobha; Kashyap, Hemant K.

    2017-11-01

    We apply all-atom molecular dynamics simulations to describe the bulk morphology and interfacial structure of reline, a deep eutectic solvent comprising choline chloride and urea in 1:2 molar ratio, near neutral and charged graphene electrodes. For the bulk phase structural investigation, we analyze the simulated real-space radial distribution functions, X-ray/neutron scattering structure functions, and their partial components. Our study shows that both hydrogen-bonding and long-range correlations between different constituents of reline play a crucial role to lay out the bulk structure of reline. Further, we examine the variation of number density profiles, orientational order parameters, and electrostatic potentials near the neutral and charged graphene electrodes with varying electrode charge density. The present study reveals the presence of profound structural layering of not only the ionic components of reline but also urea near the electrodes. In addition, depending on the electrode charge density, the choline ions and urea molecules render different orientations near the electrodes. The simulated number density and electrostatic potential profiles for reline clearly show the presence of multilayer structures up to a distance of 1.2 nm from the respective electrodes. The observation of positive values of the surface potential at zero charge indicates the presence of significant nonelectrostatic attraction between the choline cation and graphene electrode. The computed differential capacitance (Cd) for reline exhibits an asymmetric bell-shaped curve, signifying different variation of Cd with positive and negative surface potentials.

  9. Non-Destructive Study of Bulk Crystallinity and Elemental Composition of Natural Gold Single Crystal Samples by Energy-Resolved Neutron Imaging

    Science.gov (United States)

    Tremsin, Anton S.; Rakovan, John; Shinohara, Takenao; Kockelmann, Winfried; Losko, Adrian S.; Vogel, Sven C.

    2017-01-01

    Energy-resolved neutron imaging enables non-destructive analyses of bulk structure and elemental composition, which can be resolved with high spatial resolution at bright pulsed spallation neutron sources due to recent developments and improvements of neutron counting detectors. This technique, suitable for many applications, is demonstrated here with a specific study of ~5–10 mm thick natural gold samples. Through the analysis of neutron absorption resonances the spatial distribution of palladium (with average elemental concentration of ~0.4 atom% and ~5 atom%) is mapped within the gold samples. At the same time, the analysis of coherent neutron scattering in the thermal and cold energy regimes reveals which samples have a single-crystalline bulk structure through the entire sample volume. A spatially resolved analysis is possible because neutron transmission spectra are measured simultaneously on each detector pixel in the epithermal, thermal and cold energy ranges. With a pixel size of 55 μm and a detector-area of 512 by 512 pixels, a total of 262,144 neutron transmission spectra are measured concurrently. The results of our experiments indicate that high resolution energy-resolved neutron imaging is a very attractive analytical technique in cases where other conventional non-destructive methods are ineffective due to sample opacity. PMID:28102285

  10. Structural and Optical Characteristics of Metamorphic Bulk InAsSb

    Science.gov (United States)

    2014-01-01

    heterostructure detectors with bulk InAsSb absorbers and AlSb -based barriers. These structures can outperform InSb homojunction photodetectors operating...Wu B.-R., Liao C., and Cheng K. Y., “High quality InAsSb grown on InP substrates using AlSb /AlAsSb buffer layers”, Appl. Phys. Lett., 92, 062111

  11. The determination of the bulk density of irradiated samples using a mercury pyknometer

    International Nuclear Information System (INIS)

    Keep, R.H.; Perks, J.M.

    1980-05-01

    A method for determining the bulk density of fragmented UO 2 specimens in the mass range 1 to 10 g by mercury pyknometry has been developed. The factor limiting the accuracy of the technique in this application is the consistency with which the pyknometer can be filled with mercury; this is dependent on the vacuum obtained in the pyknometer prior to filling. It has been found that this method can be used to determine the density of fragments of UO 2 in the mass range specified to an accuracy of better than +- 0.2% (1σ). (author)

  12. Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulk.

    Science.gov (United States)

    Viñes, Francesc; Lamiel-Garcia, Oriol; Illas, Francesc; Bromley, Stefan T

    2017-07-20

    We report on an extensive survey of (ZnO) N nanostructures ranging from bottom-up generated nanoclusters to top-down nanoparticles cuts from bulk polymorphs. The obtained results enable us to follow the energetic preferences of structure and polymorphism in (ZnO) N systems with N varying between 10-1026. This size range encompasses small nanoclusters with 10s of atoms and nanoparticles with 100s of atoms, which we also compare with appropriate bulk limits. In all cases the nanostructures and bulk systems are optimized using accurate all-electron, relativistic density functional theory based calculations with numeric atom centered orbital basis sets. Specifically, sets of five families of (ZnO) N species are considered: single-layered and multi-layered nanocages, and bulk cut nanoparticles from the sodalite (SOD), body centered tetragonal (BCT), and wurtzite (WZ) ZnO polymorphs. Using suitable fits to interpolate and extrapolate these data allows us to assess the size-dependent energetic stabilities of each family. With increasing size our results indicate a progressive change in energetic stability from single-layered to multi-layered cage-like nanoclusters. For nanoparticles of around 2.6 nm diameter we identify a transitional region where multi-layered cages, SOD, and BCT nanostructures are very similar in energetic stability. This transition size also marks the size regime at which bottom-up nanoclusters give way to top-down bulk-cut nanoparticles. Eventually, a final crossover is found where the most stable WZ-ZnO polymorph begins to energetically dominate at N ∼ 2200. This size corresponds to an approximate nanoparticle diameter of 4.7 nm, in line with experiments reporting the observation of wurtzite crystallinity in isolated ligand-free ZnO nanoparticles of 4-5 nm size or larger.

  13. Simultaneous assessment of the macrobiome and microbiome in a bulk sample of tropical arthropods through DNA metasystematics

    Science.gov (United States)

    Gibson, Joel; Shokralla, Shadi; Porter, Teresita M.; King, Ian; van Konynenburg, Steven; Janzen, Daniel H.; Hallwachs, Winnie; Hajibabaei, Mehrdad

    2014-01-01

    Conventional assessments of ecosystem sample composition are based on morphology-based or DNA barcode identification of individuals. Both approaches are costly and time-consuming, especially when applied to the large number of specimens and taxa commonly included in ecological investigations. Next-generation sequencing approaches can overcome the bottleneck of individual specimen isolation and identification by simultaneously sequencing specimens of all taxa in a bulk mixture. Here we apply multiple parallel amplification primers, multiple DNA barcode markers, 454-pyrosequencing, and Illumina MiSeq sequencing to the same sample to maximize recovery of the arthropod macrobiome and the bacterial and other microbial microbiome of a bulk arthropod sample. We validate this method with a complex sample containing 1,066 morphologically distinguishable arthropods from a tropical terrestrial ecosystem with high taxonomic diversity. Multiamplicon next-generation DNA barcoding was able to recover sequences corresponding to 91% of the distinguishable individuals in a bulk environmental sample, as well as many species present as undistinguishable tissue. 454-pyrosequencing was able to recover 10 more families of arthropods and 30 more species than did conventional Sanger sequencing of each individual specimen. The use of other loci (16S and 18S ribosomal DNA gene regions) also added the detection of species of microbes associated with these terrestrial arthropods. This method greatly decreases the time and money necessary to perform DNA-based comparisons of biodiversity among ecosystem samples. This methodology opens the door to much cheaper and increased capacity for ecological and evolutionary studies applicable to a wide range of socio-economic issues, as well as a basic understanding of how the world works. PMID:24808136

  14. Simultaneous assessment of the macrobiome and microbiome in a bulk sample of tropical arthropods through DNA metasystematics.

    Science.gov (United States)

    Gibson, Joel; Shokralla, Shadi; Porter, Teresita M; King, Ian; van Konynenburg, Steven; Janzen, Daniel H; Hallwachs, Winnie; Hajibabaei, Mehrdad

    2014-06-03

    Conventional assessments of ecosystem sample composition are based on morphology-based or DNA barcode identification of individuals. Both approaches are costly and time-consuming, especially when applied to the large number of specimens and taxa commonly included in ecological investigations. Next-generation sequencing approaches can overcome the bottleneck of individual specimen isolation and identification by simultaneously sequencing specimens of all taxa in a bulk mixture. Here we apply multiple parallel amplification primers, multiple DNA barcode markers, 454-pyrosequencing, and Illumina MiSeq sequencing to the same sample to maximize recovery of the arthropod macrobiome and the bacterial and other microbial microbiome of a bulk arthropod sample. We validate this method with a complex sample containing 1,066 morphologically distinguishable arthropods from a tropical terrestrial ecosystem with high taxonomic diversity. Multiamplicon next-generation DNA barcoding was able to recover sequences corresponding to 91% of the distinguishable individuals in a bulk environmental sample, as well as many species present as undistinguishable tissue. 454-pyrosequencing was able to recover 10 more families of arthropods and 30 more species than did conventional Sanger sequencing of each individual specimen. The use of other loci (16S and 18S ribosomal DNA gene regions) also added the detection of species of microbes associated with these terrestrial arthropods. This method greatly decreases the time and money necessary to perform DNA-based comparisons of biodiversity among ecosystem samples. This methodology opens the door to much cheaper and increased capacity for ecological and evolutionary studies applicable to a wide range of socio-economic issues, as well as a basic understanding of how the world works.

  15. Thermoelastic enhancement of the magnonic spin Seebeck effect in thin films and bulk samples

    Science.gov (United States)

    Chotorlishvili, L.; Wang, X.-G.; Toklikishvili, Z.; Berakdar, J.

    2018-04-01

    A nonuniform temperature profile may generate a pure spin current in magnetic films, as observed, for instance, in the spin Seebeck effect. In addition, thermally induced elastic deformations may set in that could affect the spin current. A self-consistent theory of the magnonic spin Seebeck effect including thermally activated magnetoelastic effects is presented, and analytical expressions for the thermally activated deformation tensor and dispersion relations for coupled magnetoelastic modes are obtained. We derive analytical results for bulk (three-dimensional) systems and thin magnetic (two-dimensional) films. We observe that the displacement vector and the deformation tensor in bulk systems decay asymptotically as u ˜1 /R2 and ɛ ˜1 /R3 , respectively, while the decays in thin magnetic films proceed slower, following u ˜1 /R and ɛ ˜1 /R2 . The dispersion relations evidence a strong anisotropy in the magnetic excitations. We observe that a thermoelastic steady-state deformation may lead to both an enchantment and a reduction of the gap in the magnonic spectrum. The reduction of the gap increases the number of magnons contributing to the spin Seebeck effect and offers new possibilities for the thermoelastic control of the spin Seebeck effect.

  16. Bulk properties and electronic structure of PuFeAsO

    OpenAIRE

    Klimczuk, T.; Shick, A. B.; Springell, R.; Walker, H. C.; Hill, A. H.; Colineau, E.; Griveau, J.-C.; Bouxiëre, D.; Eloirdi, R.; Caciuffo, R.

    2012-01-01

    Here we present bulk property measurements and electronic structure calculations for PuFeAsO, an actinide analogue of the iron-based rare-earth superconductors RFeAsO. Magnetic susceptibility and heat capacity data suggest the occurrence of an antiferromagnetic transition at TN=50 K. No further anomalies have been observed down to 2 K, the minimum temperature that we have been able to achieve. Structural measurements indicate that PuFeAsO, with its more localized 5f electrons, bears a stronge...

  17. Anisotropic Poly(Vinyl Alcohol) Hydrogel: Connection Between Structure and Bulk Mechanical Properties

    Science.gov (United States)

    Hudson, Stephen; Hutter, Jeffrey; Millon, Leonardo; Wan, Wankei; Nieh, Mu-Ping

    2009-03-01

    Poly(vinyl alcohol) (PVA) hydrogels are formed from PVA solution by creation of physical cross-links during freeze/thaw cycling. By choosing a suitable freeze/thaw protocol and applying a strain during thermal processing, gels with permanent, anisotropic bulk mechanical properties matching those of cardiovascular tissues can be made, making them useful for applications ranging from artificial heart valves to vascular grafts. We have performed small- and ultra small-angle neutron scattering (SANS and USANS) measurements covering length scales from 2 nm to 10 μm, and modeled the structure as interconnected PVA blobs of size 20 to 50 nm arranged in fractal aggregates extending to at least 10 μm. Here, we discuss the relationship between the microstructure and bulk mechanical properties. Strength increases with the number of thermal cycles due to reinforcement of the small-scale gel phase, while anisotropy is due to elongation of the much larger fractal aggregates.

  18. Self-assembly Columnar Structure in Active Layer of Bulk Heterojunction Solar Cell

    Science.gov (United States)

    Pan, Cheng; Segui, Jennifer; Yu, Yingjie; Li, Hongfei; Akgun, Bulent; Satijia, Sushil. K.; Gersappe, Dilip; Nam, Chang-Yong; Rafailovich, Miriam

    2012-02-01

    Bulk Heterojunction (BHJ) polymer solar cells are an area of intense interest due to their flexibility and relatively low cost. However, due to the disordered inner structure in active layer, the power conversion efficiency of BHJ solar cell is relatively low. Our research provides the method to produce ordered self-assembly columnar structure within active layer of bulk heterojunction (BHJ) solar cell by introducing polystyrene (PS) into the active layer. The blend thin film of polystyrene, poly (3-hexylthiophene-2,5-diyl) (P3HT) and [6,6]-phenyl C61 butyric acid methyl ester (PCBM) at different ratio are spin coated on substrate and annealed in vacuum oven for certain time. Atomic force microscopy (AFM) images show uniform phase segregation on the surface of polymer blend thin film and highly ordered columnar structure is then proven by etching the film with ion sputtering. TEM cross-section technology is also used to investigate the column structure. Neutron reflectometry was taken to establish the confinement of PCBM at the interface of PS and P3HT. The different morphological structures formed via phase segregation will be correlated with the performance of the PEV cells to be fabricated at the BNL-CFN.

  19. Crystal structures of model lithium halides in bulk phase and in clusters

    Science.gov (United States)

    Lanaro, G.; Patey, G. N.

    2017-04-01

    We employ lattice energy calculations and molecular dynamics simulations to compare the stability of wurtzite and rock salt crystal structures of four lithium halides (LiF, LiCl, LiBr, and LiI) modeled using the Tosi-Fumi and Joung-Cheatham potentials, which are models frequently used in simulation studies. Both infinite crystals and finite clusters are considered. For the Tosi-Fumi model, we find that all four salts prefer the wurtzite structure both at 0 K and at finite temperatures, in disagreement with experiments, where rock salt is the stable structure and wurtzite exists as a metastable state. For Joung-Cheatham potentials, rock salt is more stable for LiF and LiCl, but the wurtzite structure is preferred by LiBr and LiI. It is clear that the available lithium halide force fields need improvement to bring them into better accord with the experiment. Finite-size clusters that are more stable as rock salt in the bulk phase tend to solidify as small rock salt crystals. However, small clusters of salts that prefer the wurtzite structure as bulk crystals tend to form structures that have hexagonal motifs, but are not finite-size wurtzite crystals. We show that small wurtzite structures are unstable due to the presence of a dipole and rearrange into more stable, size-dependent structures. We also show that entropic contributions can act in favor of the wurtzite structure at higher temperatures. The possible relevance of our results for simulation studies of crystal nucleation from melts and/or aqueous solutions is discussed.

  20. Multicounter neutron detector for examination of content and spatial distribution of fissile materials in bulk samples

    International Nuclear Information System (INIS)

    Swiderska-Kowalczyk, M.; Starosta, W.; Zoltowski, T.

    1999-01-01

    A new neutron coincidence well-counter is presented. This experimental device can be applied for passive assay of fissile and, in particular, for plutonium bearing materials. It contains of a set of the 3 He tubes placed inside a polyethylene moderator. Outputs from the tubes, first processed by preamplifier/amplifier/discriminator circuits, are then analysed using a correlator connected with PC, and correlation techniques implemented in software. Such a neutron counter enables determination of the 240 Pu effective mass in samples of a small Pu content (i.e., where the multiplication effects can be neglected) having a fairly big volume (up to 0.17 m 3 ), if only the isotopic composition is known. For determination of neutron sources distribution inside a sample, a heuristic method based on hierarchical cluster analysis was applied. As input parameters, amplitudes and phases of two-dimensional Fourier transformation of the count profiles matrices for known point sources distributions and for the examined samples were taken. Such matrices of profiles counts are collected using the sample scanning with detection head. In the clustering processes, process, counts profiles of unknown samples are fitted into dendrograms employing the 'proximity' criterion of the examined sample profile to standard samples profiles. Distribution of neutron sources in the examined sample is then evaluated on the basis of a comparison with standard sources distributions. (author)

  1. On RR couplings and bulk singularity structures of non-BPS branes

    Directory of Open Access Journals (Sweden)

    Ehsan Hatefi

    2016-09-01

    Full Text Available We compute the five point world sheet scattering amplitude of a symmetric closed string Ramond–Ramond, a transverse scalar field, a world volume gauge field and a real tachyon in both world volume and transverse directions of brane in type IIA and IIB superstring theory. We provide the complete analysis of S-matrix and show that both u′=u+14 and t channel bulk singularity structures can also be examined by this S-matrix. Various remarks about new restricted Bianchi identities on world volume for the other pictures have also been made.

  2. Calculation of thermal neutron self-shielding correction factors for aqueous bulk sample prompt gamma neutron activation analysis using the MCNP code

    International Nuclear Information System (INIS)

    Nasrabadi, M.N.; Jalali, M.; Mohammadi, A.

    2007-01-01

    In this work thermal neutron self-shielding in aqueous bulk samples containing neutron absorbing materials is studied using bulk sample prompt gamma neutron activation analysis (BSPGNAA) with the MCNP code. The code was used to perform three dimensional simulations of a neutron source, neutron detector and sample of various material compositions. The MCNP model was validated against experimental measurements of the neutron flux performed using a BF 3 detector. Simulations were performed to predict thermal neutron self-shielding in aqueous bulk samples containing neutron absorbing solutes. In practice, the MCNP calculations are combined with experimental measurements of the relative thermal neutron flux over the sample's surface, with respect to a reference water sample, to derive the thermal neutron self-shielding within the sample. The proposed methodology can be used for the determination of the elemental concentration of unknown aqueous samples by BSPGNAA where knowledge of the average thermal neutron flux within the sample volume is required

  3. Feasibility of surface sampling in automated inspection of concrete aggregates during bulk transport on a conveyor

    NARCIS (Netherlands)

    Bakker, M.C.M.; Di Maio, F.; Lotfi, S.; Bakker, M.; Hu, M.; Vahidi, A.

    2017-01-01

    Automated optic inspection of concrete aggregates for pollutants (e.g. wood, plastics, gypsum and brick) is required to establish the suitability for reuse in new concrete products. Inspection is more efficient when directly sampling the materials on the conveyor belt instead of feeding them in a

  4. Molecular detection of Coxiella burnetii in goat bulk milk samples in ...

    African Journals Online (AJOL)

    use

    2011-12-14

    Dec 14, 2011 ... useful for the diagnosis of acute infection due to the delay in antibody development. Furthermore, it is ... reaction (PCR) assay has become a useful tool for the detection of C. burnetii in clinical samples .... the efficiency of control schemes aimed at controlling and/or preventing C. burnetii infection in dairy.

  5. Oak ridge national laboratory automated clean chemistry for bulk analysis of environmental swipe samples

    Energy Technology Data Exchange (ETDEWEB)

    Bostick, Debra A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Hexel, Cole R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Ticknor, Brian W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Tevepaugh, Kayron N. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Metzger, Shalina C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-11-01

    To shorten the lengthy and costly manual chemical purification procedures, sample preparation methods for mass spectrometry are being automated using commercial-off-the-shelf (COTS) equipment. This addresses a serious need in the nuclear safeguards community to debottleneck the separation of U and Pu in environmental samples—currently performed by overburdened chemists—with a method that allows unattended, overnight operation. In collaboration with Elemental Scientific Inc., the prepFAST-MC2 was designed based on current COTS equipment that was modified for U/Pu separations utilizing Eichrom™ TEVA and UTEVA resins. Initial verification of individual columns yielded small elution volumes with consistent elution profiles and good recovery. Combined column calibration demonstrated ample separation without crosscontamination of the eluent. Automated packing and unpacking of the built-in columns initially showed >15% deviation in resin loading by weight, which can lead to inconsistent separations. Optimization of the packing and unpacking methods led to a reduction in the variability of the packed resin to less than 5% daily. The reproducibility of the automated system was tested with samples containing 30 ng U and 15 pg Pu, which were separated in a series with alternating reagent blanks. These experiments showed very good washout of both the resin and the sample from the columns as evidenced by low blank values. Analysis of the major and minor isotope ratios for U and Pu provided values well within data quality limits for the International Atomic Energy Agency. Additionally, system process blanks spiked with 233U and 244Pu tracers were separated using the automated system after it was moved outside of a clean room and yielded levels equivalent to clean room blanks, confirming that the system can produce high quality results without the need for expensive clean room infrastructure. Comparison of the amount of personnel time necessary for successful manual vs

  6. Nonsuperfluid origin of the nonclassical rotational inertia in a bulk sample of solid 4He.

    Science.gov (United States)

    Reppy, John D

    2010-06-25

    The torsional oscillator experiments described here examine the effect of disorder on the nonclassical rotational inertia (NCRI) of a solid 4He sample. The NCRI increases with increasing disorder, but the period changes responsible for this increase occur primarily at higher temperatures. Contrary to expectations based on a supersolid scenario, the oscillator period remains relatively unaffected at the lowest temperatures. This result points to a nonsuperfluid origin for the NCRI.

  7. Crystal structure and electronic properties of bulk and thin film brownmillerite oxides

    Science.gov (United States)

    Young, Joshua; Rondinelli, James M.

    2015-11-01

    The equilibrium structure and functional properties exhibited by brownmillerite oxides, a family of perovskite-derived structures with alternating layers of B O6 octahedra and B O4 tetrahedra, viz., ordered arrangements of oxygen vacancies, is dependent on a variety of competing crystal-chemistry factors. We use electronic structure calculations to disentangle the complex interactions in two ferrates, Sr2Fe2O5 and Ca2Fe2O5 , relating the stability of the equilibrium (strain-free) and thin film structures to both previously identified and herein newly proposed descriptors. We show that cation size and intralayer separation of the tetrahedral chains provide key contributions to the preferred ground state. We show the bulk ground-state structure is retained in the ferrates over a range of strain values; however, a change in the orientation of the tetrahedral chains, i.e., a perpendicular orientation of the vacancies relative to the substrate, is stabilized in the compressive region. The structure stability under strain is largely governed by maximizing the intraplane separation of the dipoles generated from rotations of the FeO4 tetrahedra. Lastly, we find that the electronic band gap is strongly influenced by strain, manifesting as an unanticipated asymmetric-vacancy alignment dependent response. This atomistic understanding establishes a practical route for the design of functional electronic materials in thin film geometries.

  8. Molecular detection of Coxiella burnetii in goat bulk milk samples in ...

    African Journals Online (AJOL)

    use

    2011-12-14

    Dec 14, 2011 ... volume of 25 µl containing 5 µl of DNA sample, 0.5 mM MgCl2, 0.2. mM (each) dNTPs, 1 µM primer OMP1, 1 µM primer OMP2 and 0.5. U/reaction of Taq DNA polymerase (Roche Applied Science,. Germany). The PCR assay was performed at 94°C for 4 min and then for 30 cycles of 94°C for 1 min, 56°C for ...

  9. Study of variations in structural, optical parameters and bulk etch rate of CR-39 polymer due to electron irradiation

    International Nuclear Information System (INIS)

    Sahoo, G. S.; Joshi, D. S.; Tripathy, S. P.; Bandyopadhyay, T.

    2016-01-01

    In this work, electron induced modifications on the bulk etch rate, structural and optical parameters of CR-39 polymer were studied using gravimetric, FTIR (Fourier Transform Infrared) and UV–vis (Ultraviolet–Visible) techniques, respectively. CR-39 samples were irradiated with 10 MeV electron beam for different durations to have the absorbed doses of 1, 10, 550, 5500, 16 500, and 55 000 kGy. From the FTIR analysis, the peak intensities at different bands were found to be changing with electron dose. A few peaks were observed to shift at high electron doses. From the UV-vis analysis, the optical band gaps for both direct and indirect transitions were found to be decreasing with the increase in electron dose whereas the opacity, number of carbon atoms in conjugation length, and the number of carbon atoms per cluster were found to be increasing. The bulk etch rate was observed to be increasing with the electron dose. The primary objective of this investigation was to study the response of CR-39 to high electron doses and to determine a suitable pre-irradiation condition. The results indicated that, the CR-39 pre-irradiated with electrons can have better sensitivity and thus can be potentially applied for neutron dosimetry.

  10. Determination of bulk domain structure and magnetization processes in bcc ferromagnetic alloys: Analysis of magnetostriction in F e83G a17

    Science.gov (United States)

    He, Yangkun; Coey, J. M. D.; Schaefer, Rudolf; Jiang, Chengbao

    2018-01-01

    The ground state of macroscopic samples of magnetically ordered materials is a domain state because of magnetostatic energy or entropy, yet we have limited experimental means for imaging the bulk domain structure and the magnetization process directly. The common methods available reveal the domains at the surface or in electron- or x-ray transparent lamellae, not those in the bulk. The magnetization curve just reflects the vector sum of the moments of all the domains in the sample, but magnetostriction curves are more informative. They are strongly influenced by the domain structure in the unmagnetized state and its evolution during the magnetization process in an applied field. Here we report a method of determining the bulk domain structure in a cubic magnetostrictive material by combining magneto-optic Kerr microscopy with magnetostriction and magnetization measurements on single crystals as a function of applied field. We analyze the magnetostriction of F e83G a17 crystals in terms of a domain structure that is greatly influenced by sample shape and heat treatment. Saturation magnetostriction measurements are used to determine the fraction of domains orientated along the three 〈100 〉 axes in the initial state. Domain wall motion and rotation process have characteristic signatures in the magnetostriction curves, including those associated with the Δ E effect and domain rotation through a 〈110 〉 auxetic direction.

  11. Electronic and structural properties of TiB2: Bulk, surface, and nanoscale effects

    International Nuclear Information System (INIS)

    Volonakis, George; Tsetseris, Leonidas; Logothetidis, Stergios

    2011-01-01

    Titanium diboride (TiB 2 ), is a widely used hard material that comprises graphene-like layers of B and intercalated Ti atoms. Here we report the results of extensive first-principles calculations on key properties of bulk TiB 2 , TiB 2 surfaces, and TiB 2 nanocrystals (NCs). The computational approach is first validated based on the agreement between calculated structural and electronic properties of bulk TiB 2 and available experimental and theoretical data. We then obtain the formation energies for several surface cuts and use these values to construct TiB 2 NCs based on the Wulff theorem. Finally, we demonstrate by studying the adsorption of small molecules that hydrogen and oxygen adatoms can be attached through strongly exothermic chemisorption reactions on TiB 2 surfaces. Likewise, water molecules bind on various TiB 2 surfaces and NC facets, with an energetic preference for the latter. The results are relevant to applications that depend on reactivity-related TiB 2 properties, for example resistance to corrosion and interactions with water-based solutions.

  12. Structure and properties of cerium oxides in bulk and nanoparticulate forms

    International Nuclear Information System (INIS)

    Gangopadhyay, Shruba; Frolov, Dmitry D.; Masunov, Artëm E.; Seal, Sudipta

    2014-01-01

    The experimental and computational studies on the cerium oxide nanoparticles, as well as stoichiometric phases of bulk ceria are reviewed. Based on structural similarities of these phases in hexagonal aspect, electroneutral and non-polar pentalayers are identified as building blocks of type A sesquioxide structure. The idealized core/shell structure of the ceria nanoparticles is described as dioxide core covered by a single pentalayer of sesquioxide, which explains the exceptional stability of subsurface vacancies in nanoceria. The density functional theory (DFT) predictions of the lattice parameters and elastic moduli for the Ce(IV) and Ce(III) oxides at the hybrid DFT level are also presented. The calculated values for both compounds agree with available experimental data and allow predicting changes in the lattice parameter with decreasing size of the nanoparticles. The lattice parameter is calculated as equilibrium between contraction of sesquioxide structure in the core, and expansion of dioxide structure in the shell of the nanoparticle. This is consistent with available XRD data on ceria NPs obtained in mild aqueous conditions. The core/shell model, however, breaks down when applied to the size dependence of lattice parameter in NPs obtained by the laser ablation techniques

  13. Prevalence of Coxiella burnetii in bulk milk samples from dairy bovine, ovine, caprine, and camel herds in Iran as determined by polymerase chain reaction.

    Science.gov (United States)

    Rahimi, Ebrahim; Ameri, Mehrdad; Karim, Guity; Doosti, Abbas

    2011-02-01

    Q fever is a widespread zoonosis caused by the obligate intracellular micro-organism Coxiella burnetii. The objective of this study was to determine the prevalence rate of C. burnetii in bulk milk samples from dairy bovine, ovine, caprine, and camel herds in Isfahan province, Iran. In the present study, 567 bulk milk samples from 186 dairy bovine, ovine, caprine, and camel herds were tested for C. burnetii using a nested polymerase chain reaction assay. The animals whose milk samples collected for this study were clinically healthy. In total, 8 of 247 (3.2%) bovine milk samples were positive; the positive samples originated from 6 of 90 (6.7%) dairy herds. Eight of 140 (5.7%) ovine bulk milk samples from 42 sheep breeding farms and 5 of 110 (4.5%) caprine bulk milk samples from 32 goat breeding farms were positive for C. burnetii. One of 70 (1.4%) camel bulk milk samples from 22 camel breeding farms was also positive for C. burnetii. Although no extensive prevalence study was undertaken, the results of this study indicate that clinically healthy dairy animals are important sources of C. burnetii infection in Iran. To the authors' knowledge, this study is the first report of direct identification of C. burnetii using polymerase chain reaction in bulk milk samples from dairy ovine herds in Iran and the first report of direct identification of C. burnetii in bulk milk samples from dairy camel herds. Further intensive prevalence studies on Coxiella infection and on possible risks of dairy products will be needed to elucidate the epidemiology of Q fever in Iran.

  14. A Fundamental Approach to Developing Aluminium based Bulk Amorphous Alloys based on Stable Liquid Metal Structures and Electronic Equilibrium - 154041

    Science.gov (United States)

    2017-03-28

    AFRL-AFOSR-JP-TR-2017-0027 A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal Structures and...to 16 Dec 2016 4.  TITLE AND SUBTITLE A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal...Air Force Research Laboratory for accurately predicting compositions of new amorphous alloys specifically based on aluminium with properties superior

  15. Recent ARPES experiments on quasi-1D bulk materials and artificial structures.

    Science.gov (United States)

    Grioni, M; Pons, S; Frantzeskakis, E

    2009-01-14

    The spectroscopy of quasi-one-dimensional (1D) systems has been a subject of strong interest since the first experimental observations of unusual line shapes in the early 1990s. Angle-resolved photoemission (ARPES) measurements performed with increasing accuracy have greatly broadened our knowledge of the properties of bulk 1D materials and, more recently, of artificial 1D structures. They have yielded a direct view of 1D bands, of open Fermi surfaces, and of characteristic instabilities. They have also provided unique microscopic evidence for the non-conventional, non-Fermi-liquid, behavior predicted by theory, and for strong and singular interactions. Here we briefly review some of the remarkable experimental results obtained in the last decade.

  16. A new method for evaluating structural stability of bulk metallic glasses

    International Nuclear Information System (INIS)

    Zhao, Lei; Jia, Haoling; Xie, Shenghui; Zeng, Xierong; Zhang, Tao; Ma, Chaoli

    2010-01-01

    This paper proposed a new method for evaluating the structural stability of bulk metallic glasses (BMGs) based on dilatometric measurements. During heating in the dilatometric experiments, the BMGs expanded continuously with increasing temperature. When the temperature reached the glass transition temperature (T g ), viscous shrinkage occurred due to the viscosity of material becoming lower. Since the inhomogeneous nature of the metallic glasses at atomic level, the processes of rigid expansion and the viscous shrinkage co-exist in a certain temperature region. The expansion stopped completely at a temperature (named T p here) beyond T g . The values of the temperature region, ΔT gp = T p - T g , and the corresponding time interval (Δt gp ) and the activation energy (E p ) corresponding to the expansion processes, are the reflection of the structural stability of BMGs. Investigating the co-existing processes kinetically and thermodynamically, we can make an insight into the structural stability of metallic glasses. Based on this idea, the thermal expansion behaviors of Mg-, Pd-, Zr-, Ti- and Fe-based BMG were studied, and their structural stability was evaluated by the parameters of ΔT gp , Δt gp and E p .

  17. A new method for evaluating structural stability of bulk metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Lei; Jia, Haoling [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Xie, Shenghui; Zeng, Xierong [College of Materials Science and Engineering, Shenzhen University and Shenzhen Key Laboratory of Special Functional Materials, ShenZhen 518060 (China); Zhang, Tao [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Ma, Chaoli, E-mail: machaoli@buaa.edu.c [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China)

    2010-08-15

    This paper proposed a new method for evaluating the structural stability of bulk metallic glasses (BMGs) based on dilatometric measurements. During heating in the dilatometric experiments, the BMGs expanded continuously with increasing temperature. When the temperature reached the glass transition temperature (T{sub g}), viscous shrinkage occurred due to the viscosity of material becoming lower. Since the inhomogeneous nature of the metallic glasses at atomic level, the processes of rigid expansion and the viscous shrinkage co-exist in a certain temperature region. The expansion stopped completely at a temperature (named T{sub p} here) beyond T{sub g}. The values of the temperature region, {Delta}T{sub gp} = T{sub p} - T{sub g}, and the corresponding time interval ({Delta}t{sub gp}) and the activation energy (E{sub p}) corresponding to the expansion processes, are the reflection of the structural stability of BMGs. Investigating the co-existing processes kinetically and thermodynamically, we can make an insight into the structural stability of metallic glasses. Based on this idea, the thermal expansion behaviors of Mg-, Pd-, Zr-, Ti- and Fe-based BMG were studied, and their structural stability was evaluated by the parameters of {Delta}T{sub gp}, {Delta}t{sub gp} and E{sub p}.

  18. Comparative Visual Analysis of Structure-Performance Relations in Complex Bulk-Heterojunction Morphologies

    KAUST Repository

    Aboulhassan, A.

    2017-07-04

    The structure of Bulk-Heterojunction (BHJ) materials, the main component of organic photovoltaic solar cells, is very complex, and the relationship between structure and performance is still largely an open question. Overall, there is a wide spectrum of fabrication configurations resulting in different BHJ morphologies and correspondingly different performances. Current state-of-the-art methods for assessing the performance of BHJ morphologies are either based on global quantification of morphological features or simply on visual inspection of the morphology based on experimental imaging. This makes finding optimal BHJ structures very challenging. Moreover, finding the optimal fabrication parameters to get an optimal structure is still an open question. In this paper, we propose a visual analysis framework to help answer these questions through comparative visualization and parameter space exploration for local morphology features. With our approach, we enable scientists to explore multivariate correlations between local features and performance indicators of BHJ morphologies. Our framework is built on shape-based clustering of local cubical regions of the morphology that we call patches. This enables correlating the features of clusters with intuition-based performance indicators computed from geometrical and topological features of charge paths.

  19. High energy photoelectron spectroscopy in basic and applied science: Bulk and interface electronic structure

    International Nuclear Information System (INIS)

    Knut, Ronny; Lindblad, Rebecka; Gorgoi, Mihaela; Rensmo, Håkan; Karis, Olof

    2013-01-01

    Highlights: •We demonstrate how hard X-ray photoelectron spectroscopy can be used to investigate interface properties of multilayers. •By combining HAXPES and statistical methods we are able to provide quantitative analysis of the interface diffusion process. •We show how photoionization cross sections can be used to map partial density of states contributions to valence states. •We use HAXPES to provide insight into the valence electronic structure of e.g. multiferroics and dye-sensitized solar cells. -- Abstract: With the access of new high-performance electron spectrometers capable of analyzing electron energies up to the order of 10 keV, the interest for photoelectron spectroscopy has grown and many new applications of the technique in areas where electron spectroscopies were considered to have limited use have been demonstrated over the last few decades. The technique, often denoted hard X-ray photoelectron spectroscopy (HX-PES or HAXPES), to distinguish the experiment from X-ray photoelectron spectroscopy performed at lower energies, has resulted in an increasing interest in photoelectron spectroscopy in many areas. The much increased mean free path at higher kinetic energies, in combination with the elemental selectivity of the core level spectroscopies in general has led to this fact. It is thus now possible to investigate the electronic structure of materials with a substantially enhanced bulk sensitivity. In this review we provide examples from our own research using HAXPES which to date has been performed mainly at the HIKE facility at the KMC-1 beamline at HZB, Berlin. The review exemplifies the new opportunities using HAXPES to address both bulk and interface electronic properties in systems relevant for applications in magnetic storage, energy related research, but also in purely curiosity driven problems

  20. Nanosegregation and Structuring in the Bulk and at the Surface of Ionic-Liquid Mixtures.

    Science.gov (United States)

    Bruce, Duncan W; Cabry, Christopher P; Lopes, José N Canongia; Costen, Matthew L; D'Andrea, Lucía; Grillo, Isabelle; Marshall, Brooks C; McKendrick, Kenneth G; Minton, Timothy K; Purcell, Simon M; Rogers, Sarah; Slattery, John M; Shimizu, Karina; Smoll, Eric; Tesa-Serrate, María A

    2017-06-22

    Ionic-liquid (IL) mixtures hold great promise, as they allow liquids with a wide range of properties to be formed by mixing two common components rather than by synthesizing a large array of pure ILs with different chemical structures. In addition, these mixtures can exhibit a range of properties and structural organization that depend on their composition, which opens up new possibilities for the composition-dependent control of IL properties for particular applications. However, the fundamental properties, structure, and dynamics of IL mixtures are currently poorly understood, which limits their more widespread application. This article presents the first comprehensive investigation into the bulk and surface properties of IL mixtures formed from two commonly encountered ILs: 1-ethyl-3-methylimidazolium and 1-dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C 2 mim][Tf 2 N] and [C 12 mim][Tf 2 N]). Physical property measurements (viscosity, conductivity, and density) reveal that these IL mixtures are not well described by simple mixing laws, implying that their structure and dynamics are strongly composition dependent. Small-angle X-ray and neutron scattering measurements, alongside molecular dynamics (MD) simulations, show that at low mole fractions of [C 12 mim][Tf 2 N], the bulk of the IL is composed of small aggregates of [C 12 mim] + ions in a [C 2 mim][Tf 2 N] matrix, which is driven by nanosegregation of the long alkyl chains and the polar parts of the IL. As the proportion of [C 12 mim][Tf 2 N] in the mixtures increases, the size and number of aggregates increases until the C12 alkyl chains percolate through the system and a bicontinuous network of polar and nonpolar domains is formed. Reactive atom scattering-laser-induced fluorescence experiments, also supported by MD simulations, have been used to probe the surface structure of these mixtures. It is found that the vacuum-IL interface is enriched significantly in C12 alkyl chains, even in

  1. [Structure and dynamics of microemulsions in bulk, at interfaces, and in confined geometries]. Progress report

    Energy Technology Data Exchange (ETDEWEB)

    1993-12-31

    The authors have been constructing a special purpose small angle neutron scattering spectrometer (SAND) in collaboration with IPNS of Argonne National Laboratory and Texaco Research Laboratories in Beacon, New York. The spectrometer, having a moderate neutron flux, will be uniquely suited for detailed studies of complex fluids in their various phases. This spectrometer will be fully available to general users of the small angle scattering community after a year of testing and upon installation of the auxiliary equipment. The general research objective of the MIT group is to continue studies of the microstructural relationship to phase-behavior in three-component microemulsion systems. Specifically, they shall study the (1) variation of bulk structures when a microemulsion undergoes a non-wetting to wetting transition, (2) correlating interfacial reflectivity measurements of these wetting transitions to the SANS results, (3) use the contrast variation technique they recently developed for measuring the mean and Gaussian curvatures of the surfactant sheet to study the structural inversion of water-in-oil to oil-in-water microemulsions and the transition of disordered bicontinuous microemulsion to ordered lamellar phases, (4) investigation of the effects of spatial confinement on the phase behavior and structure of bicontinuous microemulsions, and finally (5) they shall continue the study of the recently discovered non-exponential relaxation of droplet density fluctuations near the critical and percolation points in water-in-oil droplet microemulsions.

  2. Structure re-determination and superconductivity observation of bulk 1T MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Yuqiang; He, Jianqiao; Bu, Kejun [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai (China); University of Chinese Academy of Sciences, Beijing (China); State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing (China); Pan, Jie; Wang, Dong; Che, Xiangli; Zhao, Wei; Lin, Tianquan [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai (China); Luo, Ruichun; Liu, Pan [State Key Laboratory of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai (China); Mu, Gang; Zhang, Hui [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai (China); Huang, Fuqiang [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai (China); State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing (China)

    2018-01-26

    2H MoS{sub 2} has been intensively studied because of its layer-dependent electronic structures and novel physical properties. Though the metastable 1T MoS{sub 2} with a [MoS{sub 6}] octahedron was observed over the microscopic area, the true crystal structure of 1T phase has not been strictly determined. Moreover, the true physical properties have not been demonstrated from experiments owing to the challenge for the preparation of pure 1T MoS{sub 2} crystals. 1T MoS{sub 2} single crystals were successfully synthesized and the crystal structure of 1T MoS{sub 2} re-determined from single-crystal X-ray diffraction. 1T MoS{sub 2} crystallizes in the space group P anti 3m1 with a cell of a=b=3.190(3) Aa and c=5.945(6) Aa. The individual MoS{sub 2} layer consists of MoS{sub 6} octahedra sharing edges with each other. More surprisingly, the bulk 1T MoS{sub 2} crystals undergo a superconducting transition of T{sub c}=4 K, which is the first observation of superconductivity in pure 1T MoS{sub 2} phase. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Exploring the bulk-phase structure of ionic liquid mixtures using small-angle neutron scattering.

    Science.gov (United States)

    Cabry, Christopher P; D'Andrea, Lucía; Shimizu, Karina; Grillo, Isabelle; Li, Peixun; Rogers, Sarah; Bruce, Duncan W; Canongia Lopes, José N; Slattery, John M

    2018-01-01

    Small-angle neutron scattering experiments, supported by molecular dynamics simulations, have been performed on a range of compositions of the [C 2 mim] 1-x [C 12 mim] x [Tf 2 N] ionic liquid mixture system. Isotopic contrast variation, through selective deuteration of both cations, has been used to assist in fitting the data to different scattering models. These data, and subsequent fitting, show that the structure of the ionic liquid mixtures changes substantially as a function of composition. Mixtures where x 0.32 can be described as bicontinuous, containing networks of both polar and non-polar domains, where the C12 chains of the [C 12 mim] + ions percolate through the system to form a continuous non-polar sub-phase. Temperature-dependent scattering experiments suggest that there is relatively little change in bulk structure in these liquids between 20 and 60 °C. The presence of water, however, does influence some aspects of the liquid structure in a composition that is rich in [C 2 mim][Tf 2 N] (where x = 0.24).

  4. [Structure and dynamics of microemulsions in bulk, at interfaces, and in confined geometries

    International Nuclear Information System (INIS)

    1993-01-01

    The authors have been constructing a special purpose small angle neutron scattering spectrometer (SAND) in collaboration with IPNS of Argonne National Laboratory and Texaco Research Laboratories in Beacon, New York. The spectrometer, having a moderate neutron flux, will be uniquely suited for detailed studies of complex fluids in their various phases. This spectrometer will be fully available to general users of the small angle scattering community after a year of testing and upon installation of the auxiliary equipment. The general research objective of the MIT group is to continue studies of the microstructural relationship to phase-behavior in three-component microemulsion systems. Specifically, they shall study the (1) variation of bulk structures when a microemulsion undergoes a non-wetting to wetting transition, (2) correlating interfacial reflectivity measurements of these wetting transitions to the SANS results, (3) use the contrast variation technique they recently developed for measuring the mean and Gaussian curvatures of the surfactant sheet to study the structural inversion of water-in-oil to oil-in-water microemulsions and the transition of disordered bicontinuous microemulsion to ordered lamellar phases, (4) investigation of the effects of spatial confinement on the phase behavior and structure of bicontinuous microemulsions, and finally (5) they shall continue the study of the recently discovered non-exponential relaxation of droplet density fluctuations near the critical and percolation points in water-in-oil droplet microemulsions

  5. Coxiella burnetii in bulk tank milk samples from dairy goat and dairy sheep farms in The Netherlands in 2008.

    Science.gov (United States)

    van den Brom, R; van Engelen, E; Luttikholt, S; Moll, L; van Maanen, K; Vellema, P

    2012-03-24

    In 2007, a human Q fever epidemic started, mainly in the south eastern part of The Netherlands with a suspected indirect relation to dairy goats, and, to a lesser degree, to dairy sheep. This article describes the Q fever prevalences in Dutch dairy goat and dairy sheep bulk tank milk (BTM) samples, using a real-time (RT) PCR and ELISA. Results of BTM PCR and ELISA were compared with the serological status of individual animals, and correlations with a history of Q fever abortion were determined. When compared with ELISA results, the optimal cut-off value for the RT-PCR was 100 bacteria/ml. In 2008, there were 392 farms with more than 200 dairy goats, of which 292 submitted a BTM sample. Of these samples, 96 (32.9 per cent) were PCR positive and 87 (29.8 per cent) were ELISA positive. All farms with a history of Q fever abortion (n=17) were ELISA positive, 16 out of 17 were also PCR positive. BTM PCR or ELISA positive farms had significantly higher within-herd seroprevalences than BTM negative farms. In the south eastern provinces, the area where the human Q fever outbreak started in 2007, a significantly larger proportion of the BTM samples was PCR and ELISA positive compared to the rest of The Netherlands. None of the BTM samples from dairy sheep farms (n=16) were PCR positive but three of these farms were ELISA positive. The higher percentage of BTM positive farms in the area where the human Q fever outbreak started, supports the suspected relation between human cases and infected dairy goat farms.

  6. Structure and magnetism of bulk Fe and Cr: from plane waves to LCAO methods.

    Science.gov (United States)

    Soulairol, R; Fu, Chu-Chun; Barreteau, C

    2010-07-28

    Magnetic, structural and energetic properties of bulk Fe and Cr were studied using first-principles calculations within density functional theory (DFT). We aimed to identify the dependence of these properties on key approximations of DFT, namely the exchange-correlation functional, the pseudopotential and the basis set. We found a smaller effect of pseudopotentials (PPs) on Fe than on Cr. For instance, the local magnetism of Cr was shown to be particularly sensitive to the potentials representing the core electrons, i.e. projector augmented wave and Vanderbilt ultrasoft PPs predict similar results, whereas standard norm-conserving PPs tend to overestimate the local magnetic moments of Cr in bcc Cr and in dilute bcc FeCr alloys. This drawback is suggested to be closely correlated to the overestimation of Cr solution energy in the latter system. On the other hand, we point out that DFT methods with very reduced localized basis sets (LCAO: linear combination of atomic orbitals) give satisfactory results compared with more robust plane-wave approaches. A minimal-basis representation of '3d' electrons comes to be sufficient to describe non-trivial magnetic phases including spin spirals in both fcc Fe and bcc Cr, as well as the experimental magnetic ground state of bcc Cr showing a spin density wave (SDW) state. In addition, a magnetic 'spd' tight binding model within the Stoner formalism was proposed and validated for Fe and Cr. The respective Stoner parameters were obtained by fitting to DFT data. This efficient semiempirical approach was shown to be accurate enough for studying various collinear and non-collinear phases of bulk Fe and Cr. It also enabled a detailed investigation of different polarization states of SDW in bcc Cr, where the longitudinal state was suggested to be the ground state, consistent with existing experimental data.

  7. Processing bulk natural wood into a high-performance structural material

    Science.gov (United States)

    Song, Jianwei; Chen, Chaoji; Zhu, Shuze; Zhu, Mingwei; Dai, Jiaqi; Ray, Upamanyu; Li, Yiju; Kuang, Yudi; Li, Yongfeng; Quispe, Nelson; Yao, Yonggang; Gong, Amy; Leiste, Ulrich H.; Bruck, Hugh A.; Zhu, J. Y.; Vellore, Azhar; Li, Heng; Minus, Marilyn L.; Jia, Zheng; Martini, Ashlie; Li, Teng; Hu, Liangbing

    2018-02-01

    Synthetic structural materials with exceptional mechanical performance suffer from either large weight and adverse environmental impact (for example, steels and alloys) or complex manufacturing processes and thus high cost (for example, polymer-based and biomimetic composites). Natural wood is a low-cost and abundant material and has been used for millennia as a structural material for building and furniture construction. However, the mechanical performance of natural wood (its strength and toughness) is unsatisfactory for many advanced engineering structures and applications. Pre-treatment with steam, heat, ammonia or cold rolling followed by densification has led to the enhanced mechanical performance of natural wood. However, the existing methods result in incomplete densification and lack dimensional stability, particularly in response to humid environments, and wood treated in these ways can expand and weaken. Here we report a simple and effective strategy to transform bulk natural wood directly into a high-performance structural material with a more than tenfold increase in strength, toughness and ballistic resistance and with greater dimensional stability. Our two-step process involves the partial removal of lignin and hemicellulose from the natural wood via a boiling process in an aqueous mixture of NaOH and Na2SO3 followed by hot-pressing, leading to the total collapse of cell walls and the complete densification of the natural wood with highly aligned cellulose nanofibres. This strategy is shown to be universally effective for various species of wood. Our processed wood has a specific strength higher than that of most structural metals and alloys, making it a low-cost, high-performance, lightweight alternative.

  8. Correlation between structural, electrical and magnetic properties of GdMnO3 bulk ceramics

    International Nuclear Information System (INIS)

    Samantaray, S.; Mishra, D.K.; Pradhan, S.K.; Mishra, P.; Sekhar, B.R.; Behera, Debdhyan; Rout, P.P.; Das, S.K.; Sahu, D.R.; Roul, B.K.

    2013-01-01

    This paper reports the effect of sintering temperature on ferroelectric properties of GdMnO 3 (GMO) bulk ceramics at room temperature prepared by the conventional solid state reaction route following slow step sintering schedule. Ferroelectric hysteresis loop as well as sharp dielectric anomaly in pure (99.999%) GMO sintered ceramics has been clearly observed. Samples sintered at 1350 °C become orthorhombic with Pbnm space group and showed frequency independent sharp dielectric anomalies at 373 K and a square type of novel ferroelectric hysteresis loop was observed at room temperature. Interestingly, dielectric anomalies and ferroelectric behavior were observed to be dependent upon sintering temperature of GdMnO 3 . Room temperature dielectric constant (ε r ) value at different frequencies is observed to be abnormally high. The magnetic field and temperature dependent magnetization show antiferromagnetic behavior at 40 K for both 1350 °C and 1700 °C sintered GMO. Present findings showed the possibility of application of GdMnO 3 at room temperature as multifunctional materials. - Highlights: • Preparation of single-phasic polycrystalline GdMnO 3 sample by the solid state sintering route. • Observation of square type P–E hysteresis loop with higher saturation and remnant polarization. • Observation of antiferromagnetic behavior at 40 K in polycrystalline GdMnO 3 . • Possibility of room temperature application of GdMnO 3 as multifunctional material

  9. Correlation between structural, electrical and magnetic properties of GdMnO{sub 3} bulk ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Samantaray, S. [Institute of Materials Science, Planetarium Building, Bhubaneswar 751013, Odisha (India); Mishra, D.K. [Department of Physics, Institute of Technical Education and Research, S ‘O’ A University, Bhubaneswar 751030, Odisha (India); Pradhan, S.K. [Institute of Materials Science, Planetarium Building, Bhubaneswar 751013, Odisha (India); Mishra, P.; Sekhar, B.R. [Institue of Physics, Sachivalaya Marg, Bhubaneswar, Odisha (India); Behera, Debdhyan [Advanced Materials Technology Department, CSIR-Institute of Minerals and Materials Technology, Bhubaneswar 751013, Odisha (India); Rout, P.P.; Das, S.K. [Institute of Materials Science, Planetarium Building, Bhubaneswar 751013, Odisha (India); Sahu, D.R. [School of Physics, University of the Witwatersrand, Johannesburg (South Africa); Roul, B.K., E-mail: ims@iopb.res.in [Institute of Materials Science, Planetarium Building, Bhubaneswar 751013, Odisha (India)

    2013-08-15

    This paper reports the effect of sintering temperature on ferroelectric properties of GdMnO{sub 3} (GMO) bulk ceramics at room temperature prepared by the conventional solid state reaction route following slow step sintering schedule. Ferroelectric hysteresis loop as well as sharp dielectric anomaly in pure (99.999%) GMO sintered ceramics has been clearly observed. Samples sintered at 1350 °C become orthorhombic with Pbnm space group and showed frequency independent sharp dielectric anomalies at 373 K and a square type of novel ferroelectric hysteresis loop was observed at room temperature. Interestingly, dielectric anomalies and ferroelectric behavior were observed to be dependent upon sintering temperature of GdMnO{sub 3}. Room temperature dielectric constant (ε{sub r}) value at different frequencies is observed to be abnormally high. The magnetic field and temperature dependent magnetization show antiferromagnetic behavior at 40 K for both 1350 °C and 1700 °C sintered GMO. Present findings showed the possibility of application of GdMnO{sub 3} at room temperature as multifunctional materials. - Highlights: • Preparation of single-phasic polycrystalline GdMnO{sub 3} sample by the solid state sintering route. • Observation of square type P–E hysteresis loop with higher saturation and remnant polarization. • Observation of antiferromagnetic behavior at 40 K in polycrystalline GdMnO{sub 3}. • Possibility of room temperature application of GdMnO{sub 3} as multifunctional material.

  10. The interplay between dynamic heterogeneities and structure of bulk liquid water: A molecular dynamics simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Demontis, Pierfranco; Suffritti, Giuseppe B. [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy); Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di ricerca di Sassari, Via Vienna, 2, I-07100 Sassari (Italy); Gulín-González, Jorge [Grupo de Matemática y Física Computacionales, Universidad de las Ciencias Informáticas (UCI), Carretera a San Antonio de los Baños, Km 21/2, La Lisa, La Habana (Cuba); Masia, Marco [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy); Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di ricerca di Sassari, Via Vienna, 2, I-07100 Sassari (Italy); Istituto Officina dei Materiali del CNR, UOS SLACS, Via Vienna 2, 07100 Sassari (Italy); Sant, Marco [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy)

    2015-06-28

    In order to study the interplay between dynamical heterogeneities and structural properties of bulk liquid water in the temperature range 130–350 K, thus including the supercooled regime, we use the explicit trend of the distribution functions of some molecular properties, namely, the rotational relaxation constants, the atomic mean-square displacements, the relaxation of the cross correlation functions between the linear and squared displacements of H and O atoms of each molecule, the tetrahedral order parameter q and, finally, the number of nearest neighbors (NNs) and of hydrogen bonds (HBs) per molecule. Two different potentials are considered: TIP4P-Ew and a model developed in this laboratory for the study of nanoconfined water. The results are similar for the dynamical properties, but are markedly different for the structural characteristics. In particular, for temperatures higher than that of the dynamic crossover between “fragile” (at higher temperatures) and “strong” (at lower temperatures) liquid behaviors detected around 207 K, the rotational relaxation of supercooled water appears to be remarkably homogeneous. However, the structural parameters (number of NNs and of HBs, as well as q) do not show homogeneous distributions, and these distributions are different for the two water models. Another dynamic crossover between “fragile” (at lower temperatures) and “strong” (at higher temperatures) liquid behaviors, corresponding to the one found experimentally at T{sup ∗} ∼ 315 ± 5 K, was spotted at T{sup ∗} ∼ 283 K and T{sup ∗} ∼ 276 K for the TIP4P-Ew and the model developed in this laboratory, respectively. It was detected from the trend of Arrhenius plots of dynamic quantities and from the onset of a further heterogeneity in the rotational relaxation. To our best knowledge, it is the first time that this dynamical crossover is detected in computer simulations of bulk water. On the basis of the simulation results, the possible

  11. Nickel silicide thin films as masking and structural layers for silicon bulk micro-machining by potassium hydroxide wet etching

    International Nuclear Information System (INIS)

    Bhaskaran, M; Sriram, S; Sim, L W

    2008-01-01

    This paper studies the feasibility of using titanium and nickel silicide thin films as mask materials for silicon bulk micro-machining. Thin films of nickel silicide were found to be more resistant to wet etching in potassium hydroxide. The use of nickel silicide as a structural material, by fabricating micro-beams of varying dimensions, is demonstrated. The micro-structures were realized using these thin films with wet etching using potassium hydroxide solution on (1 0 0) and (1 1 0) silicon substrates. These results show that nickel silicide is a suitable alternative to silicon nitride for silicon bulk micro-machining

  12. Structural differences existing in bulk and nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}: Investigated by experimental and theoretical methods

    Energy Technology Data Exchange (ETDEWEB)

    Nigam, Sandeep, E-mail: snigam@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Sudarsan, V., E-mail: vsudar@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Majumder, C.; Vatsa, R.K. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)

    2013-04-15

    Present manuscript deals with the structural changes associated with transformation of bulk Y{sub 2}Sn{sub 2}O{sub 7} into nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}. Nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7} both undoped and Eu{sup 3+} doped, were prepared at a relatively low temperature (700 °C) and investigated for their structural and luminescence properties and compared them with that of bulk Y{sub 2}Sn{sub 2}O{sub 7} sample prepared by the solid-state method at 1300 °C. Significant distortion in geometry and electron density distribution around Y{sup 3+}/Eu{sup 3+} ions in nanoparticles are confirmed from the Rietveld refinement of the powder X-ray diffraction patterns and theoretical calculations based on the density functional theory (DFT). The SnO{sub 6} octahedron in Y{sub 2}Sn{sub 2}O{sub 7} is more expanded in nanoparticles compared to bulk. Iso-surface density distribution reveals that while bulk sample shows typical ionic feature in Y/Eu--O bonds, nanoparticle sample shows sharing of electron density along bond axis pertaining to covalent character. These inferences are further supported by the doped Eu{sup 3+} luminescence and calculated Ω{sub 2} and Ω{sub 4} parameters. - Graphical abstract: YO{sub 8} scalenohedron present in bulk and nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}.Variation of the electron density around Y{sup 3+} ions in YO{sub 8} polyhedron is also shown in bulk and nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}. The difference in the extent of ionic/covalent nature of the Y--O bond is clearly seen the contour plot of electron density. Highlights: ► YO{sub 8} scalenohedron is axially and equatorially distorted in Y{sub 2}Sn{sub 2}O{sub 7} nanoparticles. ► Enlargement of SnO{sub 6} octahedron in nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7} compared to bulk. ► Less symmetric charge distribution around Y{sup 3+} ions in Y{sub 2}Sn{sub 2}O{sub 7} nanoparticles.

  13. Ab-initio investigation of structural, electronic and optical properties BSb compound in bulk and surface (110 states

    Directory of Open Access Journals (Sweden)

    H A Badehian

    2015-07-01

    Full Text Available In recent work the structural, electronic and optical properties of BSb compound in bulk and surface (110 states have been studied. Calculations have been performed using Full-Potential Augmented Plane Wave (FP-LAPW method by WIEN2k code in Density Functional Theory (DFT framework. The structural properties of the bulk such as lattice constant, bulk module and elastic constants have been investigated using four different approximations. The band gap energy of the bulk and the (110 surface of BSb were obtained about 1.082 and 0.38 eV respectively. Moreover the surface energy, the work function, the surface relaxation, surface state and the band structure of BSb (110 were investigated using symmetric and stoichiometric 15 layers slabs with the vacuum of 20 Bohr. In addition, the real and imaginary parts of the dielectric function of the bulk and the BSb (110 slab were calculated and compared to each other. Our obtained results have a good agreement with the available results.

  14. Unusual glass-forming ability induced by changes in the local atomic structure in Ti-based bulk metallic glass

    International Nuclear Information System (INIS)

    Kim, Y C; Chang, H J; Kim, D H; Kim, W T; Cha, P R

    2007-01-01

    The effect of partial replacement of Cu by Be in Ti 50 Cu 32 Ni 15 Sn 3 alloy on the thermal properties, structure, and forming ability of an amorphous phase were investigated by differential scanning calorimetry (DSC), x-ray diffraction (XRD), extended x-ray absorption fine structure (EXAFS), and high-resolution transmission electron microscopy (HRTEM). Ti 50 Cu 25 Ni 15 Sn 3 Be 7 alloy shows enhanced glass-forming ability, enabling one to fabricate a fully amorphous bulk metallic glass sample 2 mm in diameter by injection casting. With the replacement, the supercooled liquid region ΔT x (= T x -T g , where T x is the crystallization temperature and T g is the glass transition temperature) decreased from 73 to 45 K and the reduced glass transition temperature T rg (= T g /T 1 , where T 1 is the liquidus temperature) increased from 0.53 to 0.57. The amorphous Ti 50 Cu 25 Ni 15 Sn 3 Be 7 phase showed a formation of short-range-ordered clusters 1-2 nm in size, which is attributed to the strong interaction between Ti and Be. The results show that ΔT x can be used as a thermal parameter reflecting the glass-forming ability of the alloy only when the phase formed during crystallization is the same as the phase competing with the glass transition during solidification

  15. Identification of 210Pb and 210Po in the bulk of copper samples with a low-background alpha particle counter

    Science.gov (United States)

    Abe, K.; Hiraide, K.; Ichimura, K.; Kishimoto, Y.; Kobayashi, K.; Kobayashi, M.; Moriyama, S.; Nakahata, M.; Norita, T.; Ogawa, H.; Sato, K.; Sekiya, H.; Takachio, O.; Takeda, A.; Tasaka, S.; Yamashita, M.; Yang, B. S.; Kim, N. Y.; Kim, Y. D.; Itow, Y.; Kanzawa, K.; Kegasa, R.; Masuda, K.; Takiya, H.; Fushimi, K.; Kanzaki, G.; Martens, K.; Suzuki, Y.; Xu, B. D.; Fujita, R.; Hosokawa, K.; Miuchi, K.; Oka, N.; Takeuchi, Y.; Kim, Y. H.; Lee, K. B.; Lee, M. K.; Fukuda, Y.; Miyasaka, M.; Nishijima, K.; Nakamura, S.

    2018-03-01

    We established a method to assay 210Pb and 210Po contaminations in the bulk of copper samples using a low-background alpha particle counter. The achieved sensitivity for the 210Pb and 210Po contaminations reaches a few mBq/kg. Due to this high sensitivity, the 210Pb and 210Po contaminations in oxygen free copper bulk were identified and measured for the first time. The 210Pb contaminations of our oxygen free copper samples were 17-40 mBq/kg. Based on our investigation of copper samples in each production step, the 210Pb in oxygen free copper was understood to be a small residual of an electrolysis process. This method to measure bulk contaminations of 210Pb and 210Po could be applied to other materials.

  16. Correlation between structural, electrical and magnetic properties of GdMnO3 bulk ceramics

    Science.gov (United States)

    Samantaray, S.; Mishra, D. K.; Pradhan, S. K.; Mishra, P.; Sekhar, B. R.; Behera, Debdhyan; Rout, P. P.; Das, S. K.; Sahu, D. R.; Roul, B. K.

    2013-08-01

    This paper reports the effect of sintering temperature on ferroelectric properties of GdMnO3 (GMO) bulk ceramics at room temperature prepared by the conventional solid state reaction route following slow step sintering schedule. Ferroelectric hysteresis loop as well as sharp dielectric anomaly in pure (99.999%) GMO sintered ceramics has been clearly observed. Samples sintered at 1350 °C become orthorhombic with Pbnm space group and showed frequency independent sharp dielectric anomalies at 373 K and a square type of novel ferroelectric hysteresis loop was observed at room temperature. Interestingly, dielectric anomalies and ferroelectric behavior were observed to be dependent upon sintering temperature of GdMnO3. Room temperature dielectric constant (ɛr) value at different frequencies is observed to be abnormally high. The magnetic field and temperature dependent magnetization show antiferromagnetic behavior at 40 K for both 1350 °C and 1700 °C sintered GMO. Present findings showed the possibility of application of GdMnO3 at room temperature as multifunctional materials.

  17. Within-herd prevalence thresholds for herd-level detection of mastitis pathogens using multiplex real-time PCR in bulk tank milk samples.

    Science.gov (United States)

    Soltau, J B; Einax, E; Klengel, K; Katholm, J; Failing, K; Wehrend, A; Donat, K

    2017-10-01

    The objective of the study was to assess the value of quantitative multiplex real-time PCR examination of bulk tank milk samples for bovine mastitis pathogens as a tool for herd level diagnosis. Using a logistic regression model, this study is aimed at calculating the threshold level of the apparent within-herd prevalence as determined by quarter milk sample cultivation of all lactating cows, thus allowing the detection of a herd positive for a specific pathogen within certain probability levels. A total of 6,335 quarter milk samples were collected and cultured from 1,615 cows on 51 farms in Germany. Bulk tank milk samples were taken from each farm and tested by bacterial culture as well as the commercial PCR assay Mastit 4A (DNA Diagnostic A/S, Risskov, Denmark) identifying Staphylococcus aureus, Streptococcus dysgalactiae, Streptococcus agalactiae, and Streptococcus uberis. In addition, PCR was performed on pooled herd milk samples containing milk aliquots from all lactating cows in each of the 51 herds. Only 1 out of the 51 herds was found PCR positive for Streptococcus agalactiae in bulk tank and pooled herd milk samples, and cultured quarter milk samples. Spearman's rank correlations between the cycle threshold value of bulk tank milk PCR and the apparent within-herd prevalence were calculated in regard to Staphylococcus aureus, Streptococcus dysgalactiae, and Streptococcus uberis. For these pathogens, significant correlations were found. If 1 bulk tank milk sample per herd was tested, the estimated within-herd prevalence thresholds for 90% probability of detection were 27.6% for Staphylococcus aureus, 9.2% for Streptococcus dysgalactiae, and 13.8% for Streptococcus uberis on the cow level. On the quarter level, the within-herd prevalence had to be at least 32.6% for Staphylococcus aureus, 1.7% for Streptococcus dysgalactiae, and 4.3% for Streptococcus uberis to detect a herd as positive using a single bulk milk sample. The results indicate that mastitis

  18. On bulk singularity structures and all order α′ contact terms of BPS string amplitudes

    Directory of Open Access Journals (Sweden)

    Ehsan Hatefi

    2016-10-01

    Full Text Available The entire form of the amplitude of three SYM (involving two transverse scalar fields, a gauge field and a potential Cn−1 Ramond–Ramond (RR form field is found out. We first derive and then start constructing an infinite number of t,s channel bulk singularity structures by means of all order α′ corrections to pull-back of brane in an Effective Field Theory (EFT. Due to presence of the complete form of S-matrix, several new contact interactions as well as new couplings are explored. It is also shown that these couplings can be verified at the level of EFT by either the combinations of Myers terms, pull-back, Taylor expanded of scalar fields or the mixed combination of the couplings of this paper as well as employed Bianchi identities. For the first time, we also derive the algebraic and the complete form of the integrations for some arbitrary combinations of Mandelstam variables and for the most general case ∫d2z|1−z|a|z|b(z−z¯c(z+z¯3 on upper half plane as well.

  19. Channeling Polyolefin Molecular Structure - Bulk Property Correlation Strategies for Industrial Applicability

    Science.gov (United States)

    Hule, Rohan; Thurman, Derek; Doufas, Antonios

    Polyolefins occupy a significant volume of the polymer products portfolio in commodity and high value applications. Quantifying and optimizing structure-property relationships enables growth in new markets. It is well recognized that coupling lab-based, comprehensive methodologies with bulk properties of interest to industrial environments offer the greatest potential of technology advancement, ultimately leading to commercial success. It is imperative to recognize the existing gap of knowledge translation between lab measurements and industrial-scale operability. This study highlights experimental HDPEs synthesized from dual, single-site, co-supported catalysts that exhibit enhanced solid-state properties such as stiffness, impact and ESCR surpassing conventional trends. Commercial resins across distinct sub-families were included as well. Commonality amongst these resins is bimodality and broad MW distribution with well-defined splits and spreads. Investigations on commercially relevant parameters such as melt strength, melt elasticity and shear thinning established excellent performance for experimental bimodals, corroborating potential benefits compared to commercial HDPEs. To summarize, the effort highlights well-recognized pathways such as improvements in mechanical and melt properties that can be attributed to apposite tuning of polymer chain architecture and MW distribution with implications across myriad markets. Ultimately, this may serve as a pathway for producing innovative products that deliver business success and growth.

  20. Structural basis of control of inward rectifier Kir2 channel gating by bulk anionic phospholipids

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sun-Joo; Ren, Feifei; Zangerl-Plessl, Eva-Maria; Heyman, Sarah; Stary-Weinzinger, Anna; Yuan, Peng; Nichols, Colin G. (WU-MED); (Vienna)

    2016-08-15

    Inward rectifier potassium (Kir) channel activity is controlled by plasma membrane lipids. Phosphatidylinositol-4,5-bisphosphate (PIP2) binding to a primary site is required for opening of classic inward rectifier Kir2.1 and Kir2.2 channels, but interaction of bulk anionic phospholipid (PL-) with a distinct second site is required for high PIP2sensitivity. Here we show that introduction of a lipid-partitioning tryptophan at the second site (K62W) generates high PIP2sensitivity, even in the absence of PL-. Furthermore, high-resolution x-ray crystal structures of Kir2.2[K62W], with or without added PIP2(2.8- and 2.0-Å resolution, respectively), reveal tight tethering of the C-terminal domain (CTD) to the transmembrane domain (TMD) in each condition. Our results suggest a refined model for phospholipid gating in which PL-binding at the second site pulls the CTD toward the membrane, inducing the formation of the high-affinity primary PIP2site and explaining the positive allostery between PL-binding and PIP2sensitivity.

  1. Engineering the propagation of high-k bulk plasmonic waves in multilayer hyperbolic metamaterials by multiscale structuring

    DEFF Research Database (Denmark)

    Zhukovsky, Sergei; Lavrinenko, Andrei; Sipe, J. E.

    2013-01-01

    Propagation of large-wavevector bulk plasmonic waves in multilayer hyperbolic metamaterials (HMMs) with two levels of structuring is theoretically studied. It is shown that when the parameters of a subwavelength metal-dielectric multilayer (substructure) are modulated (superstructured) on a larger...

  2. Room-temperature ferromagnetism in Ca and Mg stabilized cubic zirconia bulk samples and thin films prepared by pulsed laser deposition

    Science.gov (United States)

    Dimri, M. Chandra; Khanduri, H.; Kooskora, H.; Kodu, M.; Jaaniso, R.; Heinmaa, I.; Mere, A.; Krustok, J.; Stern, R.

    2012-11-01

    We report room-temperature ferromagnetism in Ca and Mg stabilized zirconia bulk samples and thin films. Powders were prepared by the citrate-combustion route, and thin films grown on silicon substrates by the pulsed laser deposition technique. X-ray diffractograms and Raman spectra at room temperature reveal the formation of cubic phase zirconia. The observed ferromagnetism is robust at room temperature in both bulk as well as in thin film samples, although it is weaker in thin films. The origin of the ferromagnetism can be related to oxygen vacancies created due to divalent (calcium and magnesium) substitution for tetravalent zirconium ions.

  3. Multistep structural transition of hydrogen trititanate nanotubes into TiO2-B nanotubes: a comparison study between nanostructured and bulk materials

    International Nuclear Information System (INIS)

    Morgado, Edisson Jr; Jardim, P M; Marinkovic, Bojan A; Rizzo, Fernando C; Abreu, Marco A S de; Zotin, Jose L; Araujo, Antonio S

    2007-01-01

    H-trititanate nanotubes obtained by alkali hydrothermal treatment of TiO 2 followed by proton exchange were compared to their bulk H 2 Ti 3 O 7 counterpart with respect to their thermally induced structural transformation paths. As-synthesized and heat-treated samples were characterized by XRD, TEM/SAED, DSC and spectroscopy techniques, indicating that H 2 Ti 3 O 7 nanotubes showed the same sequence of structural transformations as their bulk counterpart obtained by conventional solid state reaction. Nanostructured H 2 Ti 3 O 7 converts into TiO 2 (B) via multistep transformation without losing its nanotubular morphology. The transformation occurs between 120 and 400 deg. C through topotactic mechanisms with the intermediate formation of nanostructured H 2 Ti 6 O 13 and H 2 Ti 12 O 25 , which are more condensed layered titanates eventually rearranging to TiO 2 (B). Our results suggest that the intermediate tunnel structure H 2 Ti 12 O 25 is the final layered intermediate phase, on which TiO 2 (B) nucleates and grows. The conversion of nanostructured TiO 2 (B) into anatase is completed at a much lower temperature than its bulk counterpart and is accompanied by loss of the nanotubular morphology

  4. Multistep structural transition of hydrogen trititanate nanotubes into TiO2-B nanotubes: a comparison study between nanostructured and bulk materials.

    Science.gov (United States)

    Morgado, Edisson; Jardim, P M; Marinkovic, Bojan A; Rizzo, Fernando C; de Abreu, Marco A S; Zotin, José L; Araújo, Antonio S

    2007-12-12

    H-trititanate nanotubes obtained by alkali hydrothermal treatment of TiO(2) followed by proton exchange were compared to their bulk H(2)Ti(3)O(7) counterpart with respect to their thermally induced structural transformation paths. As-synthesized and heat-treated samples were characterized by XRD, TEM/SAED, DSC and spectroscopy techniques, indicating that H(2)Ti(3)O(7) nanotubes showed the same sequence of structural transformations as their bulk counterpart obtained by conventional solid state reaction. Nanostructured H(2)Ti(3)O(7) converts into TiO(2)(B) via multistep transformation without losing its nanotubular morphology. The transformation occurs between 120 and 400 degrees C through topotactic mechanisms with the intermediate formation of nanostructured H(2)Ti(6)O(13) and H(2)Ti(12)O(25), which are more condensed layered titanates eventually rearranging to TiO(2)(B). Our results suggest that the intermediate tunnel structure H(2)Ti(12)O(25) is the final layered intermediate phase, on which TiO(2)(B) nucleates and grows. The conversion of nanostructured TiO(2)(B) into anatase is completed at a much lower temperature than its bulk counterpart and is accompanied by loss of the nanotubular morphology.

  5. Multistep structural transition of hydrogen trititanate nanotubes into TiO2-B nanotubes: a comparison study between nanostructured and bulk materials

    Science.gov (United States)

    Morgado, Edisson, Jr.; Jardim, P. M.; Marinkovic, Bojan A.; Rizzo, Fernando C.; de Abreu, Marco A. S.; Zotin, José L.; Araújo, Antonio S.

    2007-12-01

    H-trititanate nanotubes obtained by alkali hydrothermal treatment of TiO2 followed by proton exchange were compared to their bulk H2Ti3O7 counterpart with respect to their thermally induced structural transformation paths. As-synthesized and heat-treated samples were characterized by XRD, TEM/SAED, DSC and spectroscopy techniques, indicating that H2Ti3O7 nanotubes showed the same sequence of structural transformations as their bulk counterpart obtained by conventional solid state reaction. Nanostructured H2Ti3O7 converts into TiO2(B) via multistep transformation without losing its nanotubular morphology. The transformation occurs between 120 and 400 °C through topotactic mechanisms with the intermediate formation of nanostructured H2Ti6O13 and H2Ti12O25, which are more condensed layered titanates eventually rearranging to TiO2(B). Our results suggest that the intermediate tunnel structure H2Ti12O25 is the final layered intermediate phase, on which TiO2(B) nucleates and grows. The conversion of nanostructured TiO2(B) into anatase is completed at a much lower temperature than its bulk counterpart and is accompanied by loss of the nanotubular morphology.

  6. Multistep structural transition of hydrogen trititanate nanotubes into TiO{sub 2}-B nanotubes: a comparison study between nanostructured and bulk materials

    Energy Technology Data Exchange (ETDEWEB)

    Morgado, Edisson Jr [PETROBRAS S.A./CENPES, Research and Development Centre, Avenida Horacio Macedo, 950, Cidade Universitaria, Quadra 7, 21941-598 Rio de Janeiro-RJ (Brazil); Jardim, P M [Department of Materials Science and Metallurgy, Pontifical Catholic University, CP 38008, 22453-900 Rio de Janeiro-RJ (Brazil); Marinkovic, Bojan A [Department of Materials Science and Metallurgy, Pontifical Catholic University, CP 38008, 22453-900 Rio de Janeiro-RJ (Brazil); Rizzo, Fernando C [Department of Materials Science and Metallurgy, Pontifical Catholic University, CP 38008, 22453-900 Rio de Janeiro-RJ (Brazil); Abreu, Marco A S de [PETROBRAS S.A./CENPES, Research and Development Centre, Avenida Horacio Macedo, 950, Cidade Universitaria, Quadra 7, 21941-598 Rio de Janeiro-RJ (Brazil); Zotin, Jose L [PETROBRAS S.A./CENPES, Research and Development Centre, Avenida Horacio Macedo, 950, Cidade Universitaria, Quadra 7, 21941-598 Rio de Janeiro-RJ (Brazil); Araujo, Antonio S [Department of Chemistry, Federal University of Rio Grande do Norte, CP 1662, 59078-970 Natal-RN (Brazil)

    2007-12-12

    H-trititanate nanotubes obtained by alkali hydrothermal treatment of TiO{sub 2} followed by proton exchange were compared to their bulk H{sub 2}Ti{sub 3}O{sub 7} counterpart with respect to their thermally induced structural transformation paths. As-synthesized and heat-treated samples were characterized by XRD, TEM/SAED, DSC and spectroscopy techniques, indicating that H{sub 2}Ti{sub 3}O{sub 7} nanotubes showed the same sequence of structural transformations as their bulk counterpart obtained by conventional solid state reaction. Nanostructured H{sub 2}Ti{sub 3}O{sub 7} converts into TiO{sub 2}(B) via multistep transformation without losing its nanotubular morphology. The transformation occurs between 120 and 400 deg. C through topotactic mechanisms with the intermediate formation of nanostructured H{sub 2}Ti{sub 6}O{sub 13} and H{sub 2}Ti{sub 12}O{sub 25}, which are more condensed layered titanates eventually rearranging to TiO{sub 2}(B). Our results suggest that the intermediate tunnel structure H{sub 2}Ti{sub 12}O{sub 25} is the final layered intermediate phase, on which TiO{sub 2}(B) nucleates and grows. The conversion of nanostructured TiO{sub 2}(B) into anatase is completed at a much lower temperature than its bulk counterpart and is accompanied by loss of the nanotubular morphology.

  7. Net Shaping of Multifunctional Bulk Metallic Glass Containers and Structures, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Demand for novel manufacturing methods for space systems brings unique properties of bulk metallic glasses (BMG) into the spotlight. In addition to superior...

  8. Ordered Nanopillar Structured Electrodes for Depleted Bulk Heterojunction Colloidal Quantum Dot Solar Cells

    KAUST Repository

    Kramer, Illan J.

    2012-03-30

    A bulk heterojunction of ordered titania nanopillars and PbS colloidal quantum dots is developed. By using a pre-patterned template, an ordered titania nanopillar matrix with nearest neighbours 275 nm apart and height of 300 nm is fabricated and subsequently filled in with PbS colloidal quantum dots to form an ordered depleted bulk heterojunction exhibiting power conversion efficiency of 5.6%. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Study on the influence of X-ray tube spectral distribution on the analysis of bulk samples and thin films: Fundamental parameters method and theoretical coefficient algorithms

    International Nuclear Information System (INIS)

    Sitko, Rafal

    2008-01-01

    Knowledge of X-ray tube spectral distribution is necessary in theoretical methods of matrix correction, i.e. in both fundamental parameter (FP) methods and theoretical influence coefficient algorithms. Thus, the influence of X-ray tube distribution on the accuracy of the analysis of thin films and bulk samples is presented. The calculations are performed using experimental X-ray tube spectra taken from the literature and theoretical X-ray tube spectra evaluated by three different algorithms proposed by Pella et al. (X-Ray Spectrom. 14 (1985) 125-135), Ebel (X-Ray Spectrom. 28 (1999) 255-266), and Finkelshtein and Pavlova (X-Ray Spectrom. 28 (1999) 27-32). In this study, Fe-Cr-Ni system is selected as an example and the calculations are performed for X-ray tubes commonly applied in X-ray fluorescence analysis (XRF), i.e., Cr, Mo, Rh and W. The influence of X-ray tube spectra on FP analysis is evaluated when quantification is performed using various types of calibration samples. FP analysis of bulk samples is performed using pure-element bulk standards and multielement bulk standards similar to the analyzed material, whereas for FP analysis of thin films, the bulk and thin pure-element standards are used. For the evaluation of the influence of X-ray tube spectra on XRF analysis performed by theoretical influence coefficient methods, two algorithms for bulk samples are selected, i.e. Claisse-Quintin (Can. Spectrosc. 12 (1967) 129-134) and COLA algorithms (G.R. Lachance, Paper Presented at the International Conference on Industrial Inorganic Elemental Analysis, Metz, France, June 3, 1981) and two algorithms (constant and linear coefficients) for thin films recently proposed by Sitko (X-Ray Spectrom. 37 (2008) 265-272)

  10. Surface and Bulk Electronic Structure and Chemisorption Properties of Titanium and Vanadium Oxides

    Science.gov (United States)

    Smith, Kevin Eugene

    The unusual electronic properties of Ti _2O_3 and V _2O_3, in particular the metal-insulator transitions which they undergo, have produced widespread interest in the physics of these materials, while the use of titanium and vanadium oxides as catalysts and catalyst supports makes a detailed understanding of their surface properties of great importance. The electronic structure and gas adsorption properties of single crystal titanium and vanadium oxides have been studied here using ultraviolet and x-ray photoemission spectroscopy, synchrotron radiation, Auger electron spectroscopy and low energy electron diffraction. Spatially anisotropic resonant photoemission from 3d states in Ti_2O_3 and V_2O_3 was observed and shown to originate from localised molecular orbitals. This contrasts with an energy analysis of the photoemission data which revealed dispersing, delocalised d-bands in both oxides. A large resonance was observed in the O 2p emission at the cation 3p to 3d absorption edge in Ti_2O _3 which is inconsistent with hybridisation, indicating the possible existence of inter-atomic resonances. The first detailed photoemission observation of metal-insulator transitions in Cr-doped V_2O _3 is reported; large changes in the density of states at the Fermi level are seen at these transitions. The surface electronic structure of single crystal TiO_2, Ti_2O _3 and V_2O _3 was found to be indistinguishable from that of the bulk. The interaction of SO_2 with these oxides was extensively studied since sulfur is a notorious catalyst poison. SO_2 reacts vigorously with the titanium oxides, dissociating in the presence of Ti^{3+} cations to form TiO_2 and TiS _2; in their absence no reaction occurs. Surprisingly, SO_2 reacts very weakly with V _2O_3, adsorbing in both dissociated and molecular form. Additionally, only a weak reaction of H_2S and TiO _2 was found. The electronic structure of these oxides is shown to be extremely complex, displaying both localised and

  11. Mercury: a prediction for bulk chemical composition and internal structure in readiness for new MESSENGER data

    Science.gov (United States)

    Prentice, A. J.

    2008-12-01

    The MESSENGER spacecraft has confirmed that Mercury's magnetic field is dominantly dipolar and due to an active dynamo in a molten outer core (Solomon et al, 2008 Science 321 59). An energy source is needed to maintain this dynamo. Either liquid iron is freezing at the surface of an inner solid core (as proposed here) or solid iron is precipitating within an outer sulphur-rich core (Chen et al, 2008 GRL 35 L07201). If the outer core does not contain sulphur and consists solely of pure metal (Fe, Ni, Cr,..), then an active dynamo is inconsistent with previous numerical models for the radiogenic thermal evolution of the planet. Those earlier models found that the present temperature at the core/mantle boundary (CMB) is ~ 500 K below the melting temperature of metal ~ 2030 K for a CMB pressure of 70 kbar. The earlier calculations were based on low lunar abundances of U and Th. Here I present a new model for the bulk chemical composition, thermal evolution and current internal structure of Mercury. The model is based on the modern Laplacian theory of solar system origin (Prentice, 1978 Moon Planets 19 341; 2001 Earth Moon & Planets 87 11; 2006 Publ. Astron. Soc. Aust. (PASA) 23 1; 2008 - URL below). A key feature of this theory is that the planets formed from a concentric system of gas rings (n = 0, 1, 2,..) that were shed by the contracting protosolar cloud. The temperatures Tn of the rings scale with mean orbital radius Rn closely as Tn ~ Rn-0.9. Mercury plays a crucial role in calibrating this relationship because of a condensation process of metal/silicate fractionation (Lewis, 1972 EPSL 15 286). Choosing Tn ~ 1630 K for mean orbit gas ring pressure of 0.17 bar, the condensate consists mostly of Fe-Ni-Cr (mass fraction 0.671), gehlenite (0.190) and Mg-silicates (0.081). It has mean density 5.30 g/cm3. Na, K and S are absent. The mass fractions of U and Th, namely 5.66 × 10-8 & 2.08 × 10-7, are a factor of 4.3 times greater than those of the proto-Earth condensate

  12. Band structure, band offsets, substitutional doping, and Schottky barriers of bulk and monolayer InSe

    Science.gov (United States)

    Guo, Yuzheng; Robertson, John

    2017-09-01

    We present a detailed study of the electronic structure of the layered semiconductor InSe. We calculate the band structure of the monolayer and bulk material using density functional theory, hybrid functionals, and G W . The band gap of the monolayer InSe is calculated to be 2.4 eV in screened exchange hybrid functional, close to the experimental photoluminescence gap. The electron affinities and band offsets are calculated for vertical stacked-layer heterostructures, and are found to be suitable for tunnel field effect transistors (TFETs) in combination with WS e2 or similar. The valence-band edge of InSe is calculated to lie 5.2 eV below the vacuum level, similar to that for the closed shell systems HfS e2 or SnS e2 . Hence InSe would be suitable to act as a p -type drain in the TFET. The intrinsic defects are calculated. For Se-rich layers, the Se adatom (interstitial) is found to be the most stable defect, whereas for In-rich layers, the Se vacancy is the most stable for the neutral state. Antisites tend to have energies just above those of vacancies. The Se antisite distorts towards a bond-breaking distortion as in the EL2 center of GaAs. Both substitutional donors and acceptors are calculated to be shallow, and effective dopants. They do not reconstruct to form nondoping configurations as occurs in black phosphorus. Finally, the Schottky barriers of metals on InSe are found to be strongly pinned by metal induced gap states (MIGS) at ˜0.5 eV above the valence-band edge. Any interfacial defects would lead to a stronger pinning at a similar energy. Overall, InSe is an effective semiconductor combining the good features of 2D (lack of dangling bonds, etc.) with the good features of 3D (effective doping), which few others achieve.

  13. Structure and property evaluation of a vacuum plasma sprayed nanostructured tungsten-hafnium carbide bulk composite

    International Nuclear Information System (INIS)

    Rea, K.E.; Viswanathan, V.; Kruize, A.; Hosson, J.Th.M. de; O'Dell, S.; McKechnie, T.; Rajagopalan, S.; Vaidyanathan, R.; Seal, S.

    2008-01-01

    Vacuum plasma spray (VPS) forming of tungsten-based metal matrix nanocomposites (MMCs) has shown to be a cost effective and time saving method for the formation of bulk monolithic nanostructured thermo-mechanical components. Spray drying of powder feedstock appears to have a significant effect on the improved mechanical properties of the bulk nanocomposite. The reported elastic modulus of the nanocomposite nearly doubles due to the presence of HfC nano particulates in the W matrix. High resolution transmission electron microscopy (HRTEM) revealed the retention of nanostructures at the select process conditions and is correlated with the enhanced mechanical properties of the nanocomposite

  14. Structure and density of Fe36Co36B19.2Si4.8Nb4 bulk glassy alloy

    OpenAIRE

    A. Januszka; R. Nowosielski

    2012-01-01

    Purpose: The work presents density measurements of bulk metallic glasses in as-cast state. Additionally casting method and structure characterization was displayed.Design/methodology/approach: The studies were performed on Fe36Co36B19.2Si4.8Nb4 metallic glasses in form of rods with diameter 2 and 3 mm. Samples were fabricated using copper mould casting method. The master alloy characteristic temperatures (Tm – melting point and Tl – liquidus temperature) were determinate by differential therm...

  15. Relations between structural and superconducting properties of bulk and thin film high-Tc materials

    International Nuclear Information System (INIS)

    Hessel Andersen, N.

    1994-06-01

    The structural ordering of oxygen deficient and Co-doped YBCO (YBa 2 Cu 3-y Co y O 6+x ) have been studied experimentally, and by computer simulations of the oxygen ordering in the basal plane of the structure. The calculations are based on the two-dimensional ASYNNNI model and its modifications. Good agreement is established between the ASYNNNI calculations and the experimentally observed structural properties of the double cell ortho-II structure and the oxygen disordering process from Co-doping into the basal plane. A model that relates the superconducting transition temperature T c (x) of undoped YBCO and T c (y) of Co-doped YBCO to the formation of specific domains of the two orthorhombic ordered oxygen phases, ortho-I and ortho-II, shows a close agreement with experimental T c (x) and T c (y) data of samples prepared under equilibrium conditions. The structural changes as a result of metal ion substitutions and oxidation/reduction processes have been studied by neutron powder diffraction in Pb 2 Sr 2 Ln 1-x Ca x Cu 3 O 8+y (Ln = Y and Ho), Nd 1.85 Ce 0.15 CuO 4+y , and chemically oxidized La 2-x Sr x CuO 4+y 2 Cu 3-y Al y O 6+x (y 2 Cu 3 O 6+x and Bi 2 Sr 2 CaCu 2 O 8+x thin films deposited on SrTiO 3 (001), MgO (001), LaAlO 3 (001), and NdGaO 3 (001) substrates has been studied by x-ray diffraction, TEM and RBS, and the structural ordering has been analysed in relation to their superconducting properties. (au) (30 ills., 29 refs.)

  16. Gamma-ray yield dependence on bulk density and moisture content of a sample of a PGNAA setup. A Monte Carlo study

    International Nuclear Information System (INIS)

    Nagadi, M.M.; Naqvi, A.A.

    2007-01-01

    Monte Carlo calculations were carried out to study the dependence of γ-ray yield on the bulk density and moisture content of a sample in a thermalneutron capture-based prompt gamma neutron activation analysis (PGNAA) setup. The results of the study showed a strong dependence of the γ-ray yield upon the sample bulk density. An order of magnitude increase in yield of 1.94 and 6.42 MeV prompt γ-rays from calcium in a Portland cement sample was observed for a corresponding order of magnitude increase in the sample bulk density. On the contrary the γ-ray yield has a weak dependence on sample moisture content and an increase of only 20% in yield of 1.94 and 6.42 MeV prompt γ-rays from calcium in the Portland cement sample was observed for an order of magnitude increase in the moisture content of the Portland cement sample. A similar effect of moisture content has been observed on the yield of 1.167 MeV prompt γ-rays from chlorine contaminants in Portland cement samples. For an order of magnitude increase in the moisture content of the sample, a 7 to 12% increase in the yield of the 1.167 MeV chlorine γ-ray was observed for the Portland cement samples containing 1 to 5 wt.% chlorine contaminants. This study has shown that effects of sample moisture content on prompt γ-ray yield from constituents of a Portland cement sample are insignificant in a thermal-neutrons capture-based PGNAA setup. (author)

  17. Mesoscopic multiphase structures and the interfaces of block and graft copolymers in bulk

    International Nuclear Information System (INIS)

    Matsushita, Yushu

    1996-01-01

    Microphase-separated structures of copolymers with various architectures and their polymer/polymer interfaces were studied. They are SP diblock, PSP triblock, and SPP graft copolymers, where S and P denote polystyrene and poly(2-vinylpyridine), respectively. Morphological observations were carried out by means of transmission electron microscopy and small-angle X-ray scattering. Chain dimensions of component polymers were measured by small-angle neutron scattering and microphase-separated interfaces were observed by neutron reflectivity measurements using deuterium-labeled samples. It was clarified that morphological phase transitions among thermodynamically equilibrium structures for SP diblock and PSP triblock copolymers occur at almost the same compositions; however, those of SPP graft copolymers tend to occur at higher volume fraction of polystyrene, φ s , than those for block copolymers. As for alternating lamellar structures it turned out to be clear that lamellar domain spacings, D's, were scaled as the 2/3 power of the molecular weight of polymers irrespective of their architectures. S block chains of SP diblock and PSP triblock copolymers in lamellar structures were both confirmed to be deformed toward the direction perpendicular to the lamellar interfaces, but it revealed that their volumes were preserved. Further, S/P interfacial thicknesses of SP and PSP were essentially the same to each other and the values defined as the FWHM of the error functions which express the segment density distributions of the interfaces were determined to be about 4 nm. (author)

  18. On new bulk singularity structures, RR couplings in the asymmetric picture and their all order α{sup '} corrections

    Energy Technology Data Exchange (ETDEWEB)

    Hatefi, Ehsan [Queen Mary University of London, Centre for Research in String Theory, School of Physics and Astronomy, London (United Kingdom); TU Wien, Institute for Theoretical Physics, Vienna (Austria)

    2017-08-15

    We have analyzed in detail four and five point functions of the string theory amplitudes, including a closed string Ramond-Ramond (RR) in an asymmetric picture and either two or three transverse scalar fields in both IIA and IIB. The complete forms of these S-matrices are derived and these asymmetric S-matrices are also compared with their own symmetric results. This leads us to explore two different kinds of bulk singularity structures as well as various new couplings in the asymmetric picture of the amplitude in type II string theory. All order α{sup '} higher derivative corrections to these new couplings have been discovered as well. Several remarks for these two new bulk singularity structures and for contact interactions of the S-matrix have also been made. (orig.)

  19. On new bulk singularity structures, RR couplings in the asymmetric picture and their all order α ' corrections

    Science.gov (United States)

    Hatefi, Ehsan

    2017-08-01

    We have analyzed in detail four and five point functions of the string theory amplitudes, including a closed string Ramond-Ramond (RR) in an asymmetric picture and either two or three transverse scalar fields in both IIA and IIB. The complete forms of these S-matrices are derived and these asymmetric S-matrices are also compared with their own symmetric results. This leads us to explore two different kinds of bulk singularity structures as well as various new couplings in the asymmetric picture of the amplitude in type II string theory. All order α ' higher derivative corrections to these new couplings have been discovered as well. Several remarks for these two new bulk singularity structures and for contact interactions of the S-matrix have also been made.

  20. Optical and Electron Spin Resonance Studies of Destruction of Porous Structures Formed by Nitrogen-Rare Gas Nanoclusters in Bulk Superfluid Helium

    Science.gov (United States)

    McColgan, Patrick T.; Meraki, Adil; Boltnev, Roman E.; Lee, David M.; Khmelenko, Vladimir V.

    2017-04-01

    We studied optical and electron spin resonance spectra during destruction of porous structures formed by nitrogen-rare gas (RG) nanoclusters in bulk superfluid helium containing high concentrations of stabilized nitrogen atoms. Samples were created by injecting products of a radio frequency discharge of nitrogen-rare gas-helium gas mixtures into bulk superfluid helium. These samples have a high energy density allowing the study of energy release in chemical processes inside of nanocluster aggregates. The rare gases used in the studies were neon, argon, and krypton. We also studied the effects of changing the relative concentrations between nitrogen and rare gas on thermoluminescence spectra during destruction of the samples. At the beginning of the destructions, α -group of nitrogen atoms, Vegard-Kaplan bands of N_2 molecules, and β -group of O atoms were observed. The final destruction of the samples were characterized by a series bright flashes. Spectra obtained during these flashes contain M- and β -bands of NO molecules, the intensities of which depend on the concentration of molecular nitrogen in the gas mixture as well as the type of rare gas present in the gas mixture.

  1. Femtosecond-laser fabrication of cyclic structures in the bulk of transparent dielectrics

    Energy Technology Data Exchange (ETDEWEB)

    Vartapetov, S K; Ganin, D V; Lapshin, K E; Obidin, A Z [Physics Instrumentation Center, A.M. Prokhorov General Physics Institute, Russian Academy of Sciences, Troitsk, Moscow Region (Russian Federation)

    2015-08-31

    We report the results of the experiments on developing precision micromachining technology, obtained under the conditions of focusing the pulses of a femtosecond (FS) laser into the volume of a transparent material, which is important, particularly, in the processing of biomaterials in ophthalmology. The implementation conditions and some characteristic features of the special regime of micromachining are determined, when at a definite relation between the sample scanning velocity and the repetition rate of FS pulses the region, destroyed by the laser radiation, is shifted along the optical axis towards the objective and back, forming cyclic patterns inside the sample. It is supposed that the main causes of the damage region shift are the induced modification of the refractive index and the reduction of the damage threshold due to the change in the material density and structure in the microscopic domain, adjacent to the boundary of the cavity produced by the previous pulse. The results of the performed study with the above regime taken into account were used in the technology of precision cutting of crystals, glasses and polymers. The best quality of the cut surface is achieved under the conditions, eliminating the appearance of the cyclic regime. In the samples of polycarbonate, polymethyl methacrylate and fused silica the cylindrical cavities were obtained with the aspect ratio higher than 200, directed along the laser beam, and microcapillaries with the diameter 1 – 2 μm in the direction, perpendicular to this beam. (interaction of laser radiation with matter)

  2. Structural, chemical, and thermoelectric properties of Bi2Te3 Peltier materials. Bulk, thin films, and superlattices

    International Nuclear Information System (INIS)

    Peranio, Nicola

    2008-01-01

    In this work, the nature of the natural nanostructure (nns) was analysed and the correlations to the transport coefficients, particularly the lattice thermal conductivity, is discussed. Experimental methods are presented for the first time, yielding an accurate quantitative analysis of the chemical composition and of stress fields in Bi 2 Te 3 and in compounds with similar structural and chemical microstructures. This work can be subdivided as follows: (I) N-type Bi 2 (Te 0.91 Se 0.09 ) 3 and p-type (Bi 0.26 Sb 0.74 ) 1.98 (Te 0.99 Se 0.01 ) 3.02 bulk materials synthesised by the Bridgman technique. (II) Bi 2 Te 3 thin films and Bi 2 Te 3 /Bi 2 (Te 0.88 Se 0.12 ) 3 superlattices epitaxially grown by molecular beam epitaxy (MBE) on BaF 2 substrates with periods of δ-12 nm at the Fraunhofer-Institut fuer Physikalische Messtechnik (IPM). (III) Experimental methods, i.e., TEM specimen preparation, high-accuracy quantitative chemical analysis by EDX in the TEM, and image simulations of dislocations and the nns according to the two-beam dynamical diffraction theory. The nns was analysed in detail by stereomicroscopy and by image simulation and was found to be a pure sinusoidal displacement field with (i) a displacement vector parallel to and an amplitude of about 10 pm and (ii) a wave vector parallel to {1,0,10} and a wavelength of 10 nm. The results obtained here showed a significant amount of stress in the samples, induced by the nns which was still not noticed and identified. Both kinds of nanostructures, artificial (ans) and natural (nns) nanostructures, yielded in thermoelectric materials a low lattice thermal conductivity which was beneficial for the thermoelectric figure of merit ZT. (orig.)

  3. Correlation of Bulk Dielectric and Piezoelectric Properties to the Local Scale Phase Transformations, Domain Morphology, and Crystal Structure Modified

    Energy Technology Data Exchange (ETDEWEB)

    Priya, Shashank [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Viehland, Dwight [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)

    2014-12-14

    Three year program entitled “Correlation of bulk dielectric and piezoelectric properties to the local scale phase transformations, domain morphology, and crystal structure in modified lead-free grain-textured ceramics and single crystals” was supported by the Department of Energy. This was a joint research program between D. Viehland and S. Priya at Virginia Tech. Single crystal and textured ceramics have been synthesized and characterized. Our goals have been (i) to conduct investigations of lead-free piezoelectric systems to establish the local structural and domain morphologies that result in enhanced properties, and (ii) to synthesize polycrystalline and grain oriented ceramics for understanding the role of composition, microstructure, and anisotropy

  4. Low-dimensional structures generated by misfit dislocations in the bulk of Si1 - xGex/Si heteroepitaxial systems

    DEFF Research Database (Denmark)

    Shiryaev, Sergey Y.; Jensen, Flemming; Petersen, Jon Wulff

    1997-01-01

    The capability of misfit dislocations to generate nanostructures in the bulk of Si1-xGex/Si heteroepitaxial systems is demonstrated. It is shown that dislocation slip originating from compositionally graded Si1-xGex layers can produce a range of low-dimensional structures including nanowires......, nanodots, and mosaic superlattices. Formation of the nanostructures is achieved in parallel processing, through a simple two-step cycle which includes growth of layered planar structures and postgrowth annealing. (C) 1997 American Institute of Physics....

  5. Ab initio studies of the electronic structure and magnetic properties of bulk and nano-particle CeCo2

    International Nuclear Information System (INIS)

    Guo, G.Y.; Wang, Y.K.; Chen, Y.Y.

    2004-01-01

    We have carried out a theoretical study of the electronic structure and magnetic properties of both bulk and supercell slab CeCo 2 . The calculations are based on first-principles density functional theory with generalized gradient approximation (GGA) and also with the GGA+U scheme. Both GGA and GGA+U calculations predict bulk CeCo 2 to be nonmagnetic, in agreement with experiments. However, calculations for a supercell slab with a 14 A thickness, show that the system becomes ferrimagnetic. In particular, the local magnetic moments on all the Ce and Co atoms in the thin film are pronounced. This suggests that surface effect may play a significant role in the magnetism observed in nano-particle CeCo 2

  6. Mesoscale structural characterization within bulk materials by high-energy X-ray microdiffraction

    DEFF Research Database (Denmark)

    Lienert, U.; Poulsen, H.F.; Kvick, Å.

    2001-01-01

    that provide the required intensity and spatial resolution perpendicular to the incident beam. A focus size of 1.2 mum was achieved. Modified crossed-beam techniques are being developed that define the longitudinal resolution, i.e., the component of the gauge volume parallel to the incident beam. We present......A novel diffraction technique for the local three-dimensional characterization within polycrystalline bulk materials is presented. The technique uses high-energy synchrotron radiation (40 keV .... Four examples of applications are presented....

  7. Structural behavior of Pd40Cu30Ni10P20 bulk metallic glass below and above the glass transition

    DEFF Research Database (Denmark)

    Mattern, N.; Hermann, H.; Roth, S.

    2003-01-01

    The thermal behavior of the structure of Pd40Cu30Ni10P20 bulk metallic glass has been investigated in situ through the glass transition by means of high-temperature x-ray synchrotron diffraction. The dependence of the x-ray structure factor S(q) of the Pd40Cu30Ni10P20 glass on temperature follows...... the Debye theory up to the glass transition with a Debye temperature theta=296 K. Above the glass transition temperature T-g, the temperature dependence of S(q) is altered, pointing to a continuous development of structural changes in the liquid with temperature. The atomic pair correlation functions g......(r) indicate changes in short-range-order parameters of the first and the second neighborhood with temperature. The temperature dependence of structural parameters is different in glass and in supercooled liquid, with a continuous behavior through the glass transition. The nearest-neighbor distance decreases...

  8. Monte Carlo calculations on the magnetization profile and domain wall structure in bulk systems and nanoconstricitons

    Energy Technology Data Exchange (ETDEWEB)

    Serena, P. A. [Instituto de Ciencias de Materiales de Madrid, Madrid (Spain); Costa-Kraemer, J. L. [Instituto de Microelectronica de Madrid, Madrid (Spain)

    2001-03-01

    A Monte Carlo algorithm suitable to study systems described by an anisotropic Heisenberg Hamiltonian is presented. This technique has been tested successfully with 3D and 2D systems, illustrating how magnetic properties depend on the dimensionality and the coordination number. We have found that magnetic properties of constrictions differ from those appearing in bulk. In particular, spin fluctuations are considerable larger than those calculated for bulk materials. In addition, domain walls are strongly modified when a constriction is present, with a decrease of the domain-wall width. This decrease is explained in terms of previous theoretical works. [Spanish] Se presenta un algoritmo de Monte Carlo para estudiar sistemas discritos por un hamiltoniano anisotropico de Heisenburg. Esta tecnica ha sido probada exitosamente con sistemas de dos y tres dimensiones, ilustrado con las propiedades magneticas dependen de la dimensionalidad y el numero de coordinacion. Hemos encontrado que las propiedades magneticas de constricciones difieren de aquellas del bulto. En particular, las fluctuaciones de espin son considerablemente mayores. Ademas, las paredes de dominio son fuertemente modificadas cuando una construccion esta presente, originando un decrecimiento del ancho de la pared de dominio. Damos cuenta de este decrecimiento en terminos de un trabajo teorico previo.

  9. Magneto-thermo-gravimetric technique to investigate the structural and magnetic properties of Fe-B-Nb-Y Bulk Metallic Glass

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sangmin; Makino, Akihiro; Inoue, Akihisa [Department of Materials Science, Graduate School of Engineering, Tohoku University, Sendai 980-8579 (Japan); Masood, Ansar; Tamaki, Takahiko; Valter, Strom; Rao, K V, E-mail: smlee@imr.tohoku.ac.j [Royal Institute of Technology (KTH), SE-100 44 Stockhom (Sweden)

    2009-01-01

    Magneto-thermo-gravimetric (MTG) technique is highly informative about the changes in the magnetic state, as well as structural changes in a system, which cannot be often noticed in calorimetric measurements. We demonstrate the versatility of this technique in determining the magnetic transition temperature, and the subsequent crystallization process in a (Fe{sub 0.72}B{sub 0.24}Nb{sub 0.04}){sub 95.5}Y{sub 4.5} Bulk Metallic Glass (BMG). MTG and DSC analyses were carried out at the heating rate of 0.67 K/s from RT {approx}1170 K. As a result of the repeated MTG measurements, a magnetic 2nd amorphous phase was observed in the BMG sample, which could be the first measurement for the Magnetic Short Range Ordering (MSRO). Consequently, the MTG measurement is proved as the most convenient method for determining the various structural and magnetic transitions in a glassy material.

  10. Bulk growth, structure, optical properties and laser damage threshold of organic nonlinear optical crystals of Imidazolium L-Ascorbate

    Science.gov (United States)

    Saripalli, Ravi Kiran; Bhat, H. L.; Elizabeth, Suja

    2016-09-01

    Bulk, transparent organic nonlinear optical (NLO) single-crystals of imidazolium L-Ascorbate (ImLA) were grown using slow-evaporation. Crystal structure was determined by single crystal X-ray diffraction analysis. Preliminary linear optical measurements through UV-Visible and infrared spectroscopy revealed good optical transmittance and a low near-UV cutoff wavelength at 256 nm. Kurtz and Perry powder test revealed that ImLA is a phase-matchable NLO material with a second harmonic generation (SHG) efficiency of 1.2 times larger than that of standard KH2PO4 (KDP). Laser damage thresholds were determined for ImLA.

  11. Stochastic sampling of the RNA structural alignment space.

    Science.gov (United States)

    Harmanci, Arif Ozgun; Sharma, Gaurav; Mathews, David H

    2009-07-01

    A novel method is presented for predicting the common secondary structures and alignment of two homologous RNA sequences by sampling the 'structural alignment' space, i.e. the joint space of their alignments and common secondary structures. The structural alignment space is sampled according to a pseudo-Boltzmann distribution based on a pseudo-free energy change that combines base pairing probabilities from a thermodynamic model and alignment probabilities from a hidden Markov model. By virtue of the implicit comparative analysis between the two sequences, the method offers an improvement over single sequence sampling of the Boltzmann ensemble. A cluster analysis shows that the samples obtained from joint sampling of the structural alignment space cluster more closely than samples generated by the single sequence method. On average, the representative (centroid) structure and alignment of the most populated cluster in the sample of structures and alignments generated by joint sampling are more accurate than single sequence sampling and alignment based on sequence alone, respectively. The 'best' centroid structure that is closest to the known structure among all the centroids is, on average, more accurate than structure predictions of other methods. Additionally, cluster analysis identifies, on average, a few clusters, whose centroids can be presented as alternative candidates. The source code for the proposed method can be downloaded at http://rna.urmc.rochester.edu.

  12. Effect of CuF2 on the Synthesis and Superconducting Properties of (Bi,Pb)2Sr2Ca2Cu3O10 Bulk Ceramic Samples

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude; Andersen, Niels Hessel

    2013-01-01

    Bulk polycrystalline samples with Bi1.72Pb0.34Sr1.87Ca1.91Cu3.13O9.83−x F x (0.00≤x≤0.51) were prepared by a solid-state route using CuF2 as a fluorine source. CuF2 was introduced in the precursor powders either by direct mixing with the other starting reagents or by addition to precalcined precu...

  13. Gamma-ray analysis for U, Th and K on bulk cutting samples from deep wells in the Danish Subbasin and the North German Basin

    International Nuclear Information System (INIS)

    Lovborg, L.

    1987-07-01

    A total of 1329 bulk cutting samples from deep wells in Denmark were analysed for U, Th and K by laboratory gamma-ray analysis. Contamination of the samples by drilling mud additives, mud solids and fall down was studied by means of a wash down experiment and by comparison with the total gamma-ray response from wireline logging. It is concluded that the inorganic geochemistry on bulk cutting samples must be applied with great caution. The data are useful for geochemical characterization of well sections and for regional geochemical correlation. Radioelement abundance logs and radioelement ratio logs are presented from 3 wells in the Danish Subbasin and 2 wells in the North German Basin. The radioelement geochemistry is discussed for the successive lithostratigraphical units and a reference radioelement profile is established for the central part of the Danish Subbasin. Finally, a model describing the relationship between common lithofacies and their U content and Th/U ratio is suggested. The model deliniates the depositional environment and the relative distances to the provenance areas. It is concluded that: (1) Uranium is mobile during deposition, but since then it is fixed by stable mineral phases at depth; (2) Thorium reflects source area characteristics and that any available ions are readily adsorbed by clay minerals. Thorium anomalies may thus serve as lithostratigraphical markers; (3) Potassium occurs in unstable rock forming mineral phases. The present distribution is controlled not only by the clastic mineral assemblage, but also by the diagenetic processes through geologic time

  14. Occurrence of mycobacteria in bovine milk samples from both individual and collective bulk tanks at farms and informal markets in the southeast region of Sao Paulo, Brazil.

    Science.gov (United States)

    Franco, Marília Masello Junqueira; Paes, Antonio Carlos; Ribeiro, Márcio Garcia; de Figueiredo Pantoja, José Carlos; Santos, Adolfo Carlos Barreto; Miyata, Marcelo; Leite, Clarice Queico Fujimura; Motta, Rodrigo Garcia; Listoni, Fernando José Paganini

    2013-04-24

    Mycobacterium spp. is one of the most important species of zoonotic pathogens that can be transmitted from cattle to humans. The presence of these opportunistic, pathogenic bacteria in bovine milk has emerged as a public-health concern, especially among individuals who consume raw milk and related dairy products. To address this concern, the Brazilian control and eradication program focusing on bovine tuberculosis, was established in 2001. However, bovine tuberculosis continues to afflict approximately 1,3 percent of the cattle in Brazil. In the present study, 300 samples of milk from bovine herds, obtained from both individual and collective bulk tanks and informal points of sale, were cultured on Löwenstein-Jensen and Stonebrink media. Polymerase chain reaction (PCR)-based tests and restriction-enzyme pattern analysis were then performed on the colonies exhibiting phenotypes suggestive of Mycobacterium spp., which were characterized as acid-fast bacilli. Of the 300 bovine milk samples that were processed, 24 were positively identified as Mycobacterium spp.Molecular identification detected 15 unique mycobacterial species: Mycobacterium bovis, M. gordonae, M. fortuitum, M. intracellulare, M. flavescens, M. duvalii, M. haemophilum, M. immunogenum, M. lentiflavum, M. mucogenicum, M. novocastrense, M. parafortuitum, M. smegmatis, M. terrae and M. vaccae. The isolation of bacteria from the various locations occurred in the following proportions: 9 percent of the individual bulk-tank samples, 7 percent of the collective bulk-tank samples and 8 percent of the informal-trade samples. No statistically significant difference was observed between the presence of Mycobacterium spp. in the three types of samples collected, the milk production profiles, the presence of veterinary assistance and the reported concerns about bovine tuberculosis prevention in the herds. The microbiological cultures associated with PCR-based identification tests are possible tools for the

  15. Structure Re-determination and Superconductivity Observation of Bulk 1T MoS2

    OpenAIRE

    Fang, Yuqiang; Pan, Jie; He, Jianqiao; Luo, Ruichun; Wang, Dong; Che, Xiangli; Bu, Kejun; Zhao, Wei; Liu, Pan; Mu, Gang; Zhang, Hui; Lin, Tianquan; Huang, Fuqiang

    2017-01-01

    2H MoS2 has been intensively studied because of layer-dependent electronic structures and novel physical properties. Though the metastable 1T MoS2 with the [MoS6] octahedron was observed from the microscopic area, the true crystal structure of 1T phase has not been determined strictly. Moreover, the true physical properties have not been demonstrated from experiments due to the challenge for the preparation of pure 1T MoS2 crystals. Here, we successfully synthesized the 1T MoS2 single crystal...

  16. 40 CFR Appendix E to Subpart E of... - Interim Method of the Determination of Asbestos in Bulk Insulation Samples

    Science.gov (United States)

    2010-07-01

    .... The selection of appropriate procedures is dependent upon the samples encountered and personal... formed will occasionally produce exceptions to the published values and differences from the UICC..., particle size is not usually of critical importance and initial characterization of the material with a...

  17. Controlled Ag electroless deposition in bulk structures with complex three-dimensional profiles

    DEFF Research Database (Denmark)

    Malureanu, Radu; Zalkovskij, Maksim; Andryieuski, Andrei

    2010-01-01

    In this work we show the possibility of controlled deposition of a nanometer-sized silver layer on three-dimensional 3D structures. The deposition takes place in liquid environment, allowing for an easy and fast processing with intrinsically isotropic characteristics. The obtained layers...

  18. Processing bulk natural wood into a high-performance structural material

    Science.gov (United States)

    Jianwei Song; Chaoji Chen; Shuze Zhu; Mingwei Zhu; Jiaqi Dai; Upamanyu Ray; Yiju Li; Yudi Kuang; Yongfeng Li; Nelson Quispe; Yonggang Yao; Amy Gong; Ulrich H. Leiste; Hugh A. Bruck; J. Y. Zhu; Azhar Vellore; Heng Li; Marilyn L. Minus; Zheng Jia; Ashlie Martini; Teng Li; Liangbing Hu

    2018-01-01

    Synthetic structural materials with exceptional mechanical performance suffer from either large weight and adverse environmental impact (for example, steels and alloys) or complex manufacturing processes and thus high cost (for example, polymer-based and biomimetic composites)1–8. Natural wood is a low-cost and abundant material and has been used...

  19. Description of sampling designs using a comprehensive data structure

    Science.gov (United States)

    John C. Byrne; Albert R. Stage

    1988-01-01

    Maintaining permanent plot data with different sampling designs over long periods within an organization, as well as sharing such information between organizations, requires that common standards be used. A data structure for the description of the sampling design within a stand is proposed. It is based on the definition of subpopulations of trees sampled, the rules...

  20. Formation of SiNx:H by PECVD: optimization of the optical, bulk passivation and structural properties for photovoltaic applications

    International Nuclear Information System (INIS)

    Lelievre, J.F.

    2007-04-01

    The hydrogenated silicon nitride SiNx:H is widely used as antireflection coating and passivation layer in the manufacture of silicon photovoltaic cells. The aim of this work was to implement a low frequency (440 kHz) PECVD reactor and to characterize the obtained SiN layers. After having determined the parameters of the optimal deposition, the physico-chemical structure of the layers has been studied. The optical properties have been studied with the aim to improve the antireflection coating of the photovoltaic cells. The surface and bulk passivation properties, induced by the SiN layer in terms of its stoichiometry, have been analyzed and have revealed the excellent passivating efficiency of this material. At last, have been studied the formation conditions of the silicon nano-crystals in the SiN matrix. (O.M.)

  1. Significance of settling model structures and parameter subsets in modelling WWTPs under wet-weather flow and filamentous bulking conditions

    DEFF Research Database (Denmark)

    Ramin, Elham; Sin, Gürkan; Mikkelsen, Peter Steen

    2014-01-01

    Current research focuses on predicting and mitigating the impacts of high hydraulic loadings on centralized wastewater treatment plants (WWTPs) under wet-weather conditions. The maximum permissible inflow to WWTPs depends not only on the settleability of activated sludge in secondary settling tanks...... (SSTs) but also on the hydraulic behaviour of SSTs. The present study investigates the impacts of ideal and non-ideal flow (dry and wet weather) and settling (good settling and bulking) boundary conditions on the sensitivity of WWTP model outputs to uncertainties intrinsic to the one-dimensional (1-D......) SST model structures and parameters. We identify the critical sources of uncertainty in WWTP models through global sensitivity analysis (GSA) using the Benchmark simulation model No. 1 in combination with first- and second-order 1-D SST models. The results obtained illustrate that the contribution...

  2. Band structures tunability of bulk 2D phononic crystals made of magneto-elastic materials

    Directory of Open Access Journals (Sweden)

    J. O. Vasseur

    2011-12-01

    Full Text Available The feasibility of contactless tunability of the band structure of two-dimensional phononic crystals is demonstrated by employing magnetostrictive materials and applying an external magnetic field. The influence of the amplitude and of the orientation with respect to the inclusion axis of the applied magnetic field are studied in details. Applications to tunable selective frequency filters with switching functionnality and to reconfigurable wave-guides and demultiplexing devices are then discussed.

  3. Bulk properties and electronic structure of PuFeAsO

    Czech Academy of Sciences Publication Activity Database

    Klimczuk, T.; Shick, Alexander; Springell, R.; Walker, H.C.; Hill, A.H.; Colineau, E.; Griveau, J.C.; Bouexiere, D.; Eloirdi, R.; Caciuffo, R.

    2012-01-01

    Roč. 86, č. 17 (2012), "174510-1"-"174510-6" ISSN 1098-0121 R&D Projects: GA ČR(CZ) GAP204/10/0330; GA AV ČR IAA100100912 Institutional research plan: CEZ:AV0Z10100520 Keywords : magnetic materials * neutron scattering * electronic structure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.767, year: 2012

  4. Structural Factors That Affect the Performance of Organic Bulk Heterojunction Solar Cells

    KAUST Repository

    Vandewal, Koen

    2013-08-27

    The performance of polymer:fullerene solar cells is strongly affected by the active layer morphology and polymer microstructure. In this Perspective, we review ongoing research on how structural factors influence the photogeneration and collection of charge carriers as well as charge carrier recombination and the related open-circuit voltage. We aim to highlight unexplored research opportunities and provide some guidelines for the synthesis of new conjugated polymers for high-efficiency solar cells. © 2013 American Chemical Society.

  5. Bulk and interfacial molecular structure near liquid-liquid critical points

    Energy Technology Data Exchange (ETDEWEB)

    Manzanares-Papayanopoulos, Emilio

    2000-09-01

    Critical behaviour occurs when two coexisting phases merge identity without abrupt change in physical properties. The detail of this behaviour is nowadays considered universal, being dominated by the divergence of the correlation length {xi}. Following this universality, the detailed behaviour can be studied experimentally using any convenient system. For that reason, the study of fluids, and in particular fluid mixtures, offers a useful platform since critical behaviour in such systems can often be studied at convenient temperatures and pressures. Although criticality is a consequence of the divergence of {xi}, and so in a sense is a large-scale phenomenon, nevertheless it has an influence on events at molecular level. This aspect of criticality has received relatively little study compared to the enormous effort expended over the past thirty years in elucidating the macroscopic or phenomenological aspects of criticality. The signature of criticality at molecular level is the central theme running through this research.The aim of the work described in this thesis was to investigate the surface and transport properties of near-critical binary liquid mixtures. The surface properties mainly concerned the adsorption and wetting behaviour at the vapour-liquid and liquid-solid interfaces. The transport property studied was the shear viscosity at bulk or macroscopic level and the corresponding property at molecular or microscopic level, the micro viscosity. The work presented in this thesis comprises the experimental measurements and the theoretical interpretations drawn from the results. The experimental work was varied, using both classical and modern techniques. The theoretical interpretation was used as directed towards validating and comparing the results of the experimental programme with the predictions of the current classical critical-state theories. The systems investigated have been mostly alkane + perfluoroalkane mixtures or mixtures with very similar

  6. In-situ studies of bulk deformation structures: Static properties under load and dynamics during deformation

    DEFF Research Database (Denmark)

    Jakobsen, Bo

    2006-01-01

    load, focusing on grains that have the tensile direction close to the h100i direction. It was found that the individual subgrains, on average, are subjected to a reduction of the elastic strain with respect to the mean elastic strain of the grain. The walls are equivalently subjected to an increased...... relaxation conditions, and unloading, it is found that the overall dislocation structure only depends on the maximum obtained flow stress. However, some changes in orientation and internal strain distribution between the subgrains were observed after the unloading. An in-situ stepwise straining experiment...

  7. Tailoring of magnetic orderings in Fe substituted GdMnO3 bulk samples towards room temperature

    Science.gov (United States)

    Pal, A.; Dhana Sekhar, C.; Venimadhav, A.; Murugavel, P.

    2017-10-01

    The evolution of various magnetic ordering has been studied for the orthorhombic perovskite GdMn1-x Fe x O3 (0  ⩽  x  ⩽  0.7) system to obtain its comprehensive magnetic phase diagram. We observed that the substitution of Fe in GdMnO3 increases the antiferromagnetic Neel temperature (T N) from 40 K to above 400 K and importantly induces a spin-reorientation transition (T SR) for x  ⩾  0.4. These transitions are close to room temperature at x  =  0.5 and then gradually separated at a higher x value. The static orbital ordering induced by the Jahn-Teller distortion seems to play an important role in changing the T N. The variations of spin-reorientation ordering along with the competition between the magnetic orderings as a function of the composition were discussed with respect to antisymmetric exchange interactions and Mn3+ single-ion anisotropy in detail. In addition, the correlation between structural and magnetic properties suggests that the subtle structural change at composition x  =  0.4 may affect the magnetic ordering. The observed tunable T SR and T N in GdMn1-x Fe x O3 could add a practical value for these compositions in fields like spintronics and sensors.

  8. Calcium Sulfoaluminate Sodalite (Ca 4 Al 6 O 12 SO 4 ) Crystal Structure Evaluation and Bulk Modulus Determination

    KAUST Repository

    Hargis, Craig W.

    2013-12-12

    The predominant phase of calcium sulfoaluminate cement, Ca 4(Al6O12)SO4, was investigated using high-pressure synchrotron X-ray diffraction from ambient pressure to 4.75 GPa. A critical review of the crystal structure of Ca4(Al 6O12)SO4 is presented. Rietveld refinements showed the orthorhombic crystal structure to best match the observed peak intensities and positions for pure Ca4(Al6O 12)SO4. The compressibility of Ca4(Al 6O12)SO4 was studied using cubic, orthorhombic, and tetragonal crystal structures due to the lack of consensus on the actual space group, and all three models provided similar results of 69(6) GPa. With its divalent cage ions, the bulk modulus of Ca4(Al6O 12)SO4 is higher than other sodalites with monovalent cage ions, such as Na8(AlSiO4)6Cl2 or Na8(AlSiO4)6(OH)2·H 2O. Likewise, comparing this study to previous ones shows the lattice compressibility of aluminate sodalites decreases with increasing size of the caged ions. Ca4(Al6O12)SO4 is more compressible than other cement clinker phases such as tricalcium aluminate and less compressible than hydrated cement phases such as ettringite and hemicarboaluminate. © 2013 The American Ceramic Society.

  9. Comparison of the influences of structural characteristics on bulk mechanical behaviour: experimental study using a bone surrogate.

    Science.gov (United States)

    Levasseur, A; Ploeg, H-L; Petit, Y

    2012-01-01

    An experimental study was conducted to classify the influence of trabecular architecture and cortical shell thickness on the mechanical properties using a bone surrogate. Thirty-six rectangular prisms and 18 vertebral-shaped specimens were fabricated with fused deposition modelling (FDM) as a bone surrogate with controlled structural characteristics (cortical wall thickness, strut spacing, strut angle and strut orientation). The apparent density of the FDM specimens was evaluated using quantitative computed tomography (QCT) imaging and related to the apparent elastic modulus measured with compression testing. The effects of the structural parameters on the apparent elastic modulus were analysed using analysis of variance (ANOVA). The results obtained corroborate that the structural parameters have a significant effect on the apparent mechanical properties of the bulk material. The cortical shell thickness was found to have more influence than trabecular architecture. Therefore, accurate modelling of the cortical shell thickness should be considered more important than trabecular architecture in development of bone finite element models and bone surrogates.

  10. Structure and performance of polymer-derived bulk ceramics determined by method of filler incorporation

    Science.gov (United States)

    Konegger, T.; Schneider, P.; Bauer, V.; Amsüss, A.; Liersch, A.

    2013-12-01

    The effect of four distinct methods of incorporating fillers into a preceramic polymer matrix was investigated with respect to the structural and mechanical properties of the resulting materials. Investigations were conducted with a polysiloxane/Al2O3/ZrO2 model system used as a precursor for mullite/ZrO2 composites. A quantitative evaluation of the uniformity of filler distribution was obtained by employing a novel image analysis. While solvent-free mixing led to a heterogeneous distribution of constituents resulting in limited mechanical property values, a strong improvement of material homogeneity and properties was obtained by using solvent-assisted methods. The results demonstrate the importance of the processing route on final characteristics of polymer-derived ceramics.

  11. Critical current density improvements in MgB2 superconducting bulk samples by K2CO3 additions  

    DEFF Research Database (Denmark)

    Grivel, J.-C.

    2018-01-01

    reaction. The critical current density of MgB2 was improved both in self field and under applied magnetic field for T ≤ 30 K, with optimum results for 1 mol% K2CO3 addition. The normalized flux pinning force (f(b)) shows that the flux pinning mechanism at low field is similar for all samples, following...... the predictions of the point pinning model. In contrast the behavior of f(b) is significantly altered at reduced fields (b) larger than unity by K2CO3 additions, tending towards surface pinning. Besides providing carbon, another effect of K2CO3 may originate from the presence of a transient liquid phase...... that appears to improve the crystallinity and thus the critical current density at low field....

  12. Gamma-ray analysis for U, TH and K on bulk cutting samples from deep wells in the Danish subbasin and the North German basin

    International Nuclear Information System (INIS)

    Leth Nielsen, B.; Loevborg, L.; Soerensen, P.; Mose, E.

    1987-04-01

    A total of 1329 bulk cutting samples from deep wells in Denmark were analysed for U, Th and K by laboratory gamma-ray analysis. Contamination of the samples by drilling mud additives, mud solids and fall down was studied by means of a wash down experiment and by comparison with the total gamma-ray response from wire-line logging. It is concluded that the inorganic geochemistry on bulk cutting samples must be applied with great caution. The data are useful for geochemical characterization of well sections and for regional geochemical correlation. Radioelement abundance logs and radioelement ratio logs are presented from 3 wells in the Danish Subbasin and 2 wells in the North German Basin. The radioelement geochemistry is discussed for the successive lithostratigraphical units and a reference radio element profile is established for the central part of the Danish Subbasin. Finally, a model describing the relationship between common lithofacies and their U content and Th/U ratio is suggested. The model deliniates the depositional environment and the relative distances to the provenance areas. It is concluded that 1) Uranium is mobile during deposition, but since then it is fixed by stable mineral phases at depth. 2) Thorium reflects source area characteristics and that any available ions are readily adsorped by clay minerals. Thorium anomalies may thus serve as lithostratigraphical markers. 3) Potassium occurs in unstable rock forming mineral phases. The present distribution is controlled not only by the clastic mineral assemblage, but also by the diagenetic processes through geologic time. 33 refs. (author)

  13. Tuning structural motifs and alloying of bulk immiscible Mo-Cu bimetallic nanoparticles by gas-phase synthesis

    Science.gov (United States)

    Krishnan, Gopi; Verheijen, Marcel A.; Ten Brink, Gert H.; Palasantzas, George; Kooi, Bart J.

    2013-05-01

    Nowadays bimetallic nanoparticles (NPs) have emerged as key materials for important modern applications in nanoplasmonics, catalysis, biodiagnostics, and nanomagnetics. Consequently the control of bimetallic structural motifs with specific shapes provides increasing functionality and selectivity for related applications. However, producing bimetallic NPs with well controlled structural motifs still remains a formidable challenge. Hence, we present here a general methodology for gas phase synthesis of bimetallic NPs with distinctively different structural motifs ranging at a single particle level from a fully mixed alloy to core-shell, to onion (multi-shell), and finally to a Janus/dumbbell, with the same overall particle composition. These concepts are illustrated for Mo-Cu NPs, where the precise control of the bimetallic NPs with various degrees of chemical ordering, including different shapes from spherical to cube, is achieved by tailoring the energy and thermal environment that the NPs experience during their production. The initial state of NP growth, either in the liquid or in the solid state phase, has important implications for the different structural motifs and shapes of synthesized NPs. Finally we demonstrate that we are able to tune the alloying regime, for the otherwise bulk immiscible Mo-Cu, by achieving an increase of the critical size, below which alloying occurs, closely up to an order of magnitude. It is discovered that the critical size of the NP alloy is not only affected by controlled tuning of the alloying temperature but also by the particle shape.Nowadays bimetallic nanoparticles (NPs) have emerged as key materials for important modern applications in nanoplasmonics, catalysis, biodiagnostics, and nanomagnetics. Consequently the control of bimetallic structural motifs with specific shapes provides increasing functionality and selectivity for related applications. However, producing bimetallic NPs with well controlled structural motifs still

  14. Preparation and certification of two new bulk welding fume reference materials for use in laboratories undertaking analysis of occupational hygiene samples.

    Science.gov (United States)

    Butler, Owen; Musgrove, Darren; Stacey, Peter

    2014-01-01

    Workers can be exposed to fume, arising from welding activities, which contain toxic metals and metalloids. Occupational hygienists need to assess and ultimately minimize such exposure risks. The monitoring of the concentration of particles in workplace air is one assessment approach whereby fume, from representative welding activities, is sampled onto a filter and returned to a laboratory for analysis. Inductively coupled plasma-atomic emission spectrometry and inductively coupled plasma-mass spectrometry are generally employed as instrumental techniques of choice for the analysis of such filter samples. An inherent difficulty, however, with inductively coupled plasma-based analytical techniques is that they typically require a sample to be presented for analysis in the form of a solution. The efficiency of the required dissolution step relies heavily upon the skill and experience of the analyst involved. A useful tool in assessing the efficacy of this dissolution step would be the availability and subsequent analysis of welding fume reference materials with stated elemental concentrations and matrices that match as closely as possible the matrix composition of welding fume samples submitted to laboratories for analysis. This article describes work undertaken at the Health and Safety Laboratory to prepare and certify two new bulk welding fume reference materials that can be routinely used by analysts to assess the performance of the digestion procedures they employ in their laboratories.

  15. Quality of bulk tank milk samples from Danish dairy herds based on real-time polymerase chain reaction identification of mastitis pathogens

    DEFF Research Database (Denmark)

    Katholm, Jørgen; Bennedsgaard, T.W.; Koskinen, M.T.

    2012-01-01

    Results of a commercial real-time PCR analysis for 11 mastitis pathogens from bulk tank milk (BTM) samples from all 4,258 Danish dairy herds in November 2009 to January 2010 were compared with somatic cell count (SCC) and total bacteria count (TBC) estimates in BTM. For Streptococcus agalactiae......, Streptococcus dysgalactiae, and Streptococcus uberis, a low real-time PCR cycle threshold (Ct) value (corresponding to high bacterial DNA quantity) was correlated with higher SCC and higher TBC. For Staphylococcus aureus, low Ct values were correlated only with higher SCC. For the environmental mastitis...... pathogens Klebsiella spp., Enterococcus spp., and Escherichia coli, low Ct values had a correlation with higher TBC. Staphylococcus spp. were found in the BTM from all herds, Strep. uberis in 95%, Staph. aureus in 91%, and Strep. dysgalactiae in 86%, whereas E. coli, Klebsiella, and Strep. agalactiae were...

  16. Sampling from complex networks with high community structures.

    Science.gov (United States)

    Salehi, Mostafa; Rabiee, Hamid R; Rajabi, Arezo

    2012-06-01

    In this paper, we propose a novel link-tracing sampling algorithm, based on the concepts from PageRank vectors, to sample from networks with high community structures. Our method has two phases; (1) Sampling the closest nodes to the initial nodes by approximating personalized PageRank vectors and (2) Jumping to a new community by using PageRank vectors and unknown neighbors. Empirical studies on several synthetic and real-world networks show that the proposed method improves the performance of network sampling compared to the popular link-based sampling methods in terms of accuracy and visited communities.

  17. On the use of atomistic simulations to aid bulk metallic glasses structural elucidation with solid-state NMR.

    Science.gov (United States)

    Ferreira, Ary R; Rino, José P

    2017-08-24

    Solid-state nuclear magnetic resonance (ssNMR) experimental 27 Al metallic shifts reported in the literature for bulk metallic glasses (BMGs) were revisited in the light of state-of-the-art atomistic simulations. In a consistent way, the Gauge-Including Projector Augmented-Wave (GIPAW) method was applied in conjunction with classical molecular dynamics (CMD). A series of Zr-Cu-Al alloys with low Al concentrations were selected as case study systems, for which realistic CMD derived structural models were used for a short- and medium-range order mining. That initial procedure allowed the detection of trends describing changes on the microstructure of the material upon Al alloying, which in turn were used to guide GIPAW calculations with a set of abstract systems in the context of ssNMR. With essential precision and accuracy, the ab initio simulations also yielded valuable trends from the electronic structure point of view, which enabled an overview of the bonding nature of Al-centered clusters as well as its influence on the experimental ssNMR outcomes. The approach described in this work might promote the use of ssNMR spectroscopy in research on glassy metals. Moreover, the results presented demonstrate the possibility to expand the applications of this technique, with deeper insight into nuclear interactions and less speculative assignments.

  18. Review of the Structure of Bulk Power Markets Grid of the Future White Paper

    Energy Technology Data Exchange (ETDEWEB)

    Kirby, B.J.

    2000-05-02

    This paper is intended to provide an understanding of the needs of a restructured electricity market and some of the market methods and systems that have developed to address those needs. Chapter 2 discusses the historic market framework of vertically integrated utilities. Chapter 3 introduces the changes to the vertically integrated utility brought about by restructuring. It discusses generation and transmission planning, control and the regulatory process. It also summarizes reliability, security and adequacy. Chapter 4 discusses the basic structures of generation and transmission markets along with transmission-congestion contracts (TCCs) and transmission pricing principles. A discussion is given of the 12 ancillary services needed to reliably operate the power system. Chapter 4 also deals with the role of transmission in opening up markets to competition. In California increments (incs) and decrements (decs) are bid to overcome price differences in different zones caused by congestion. In PJM, any member can purchase Fixed Transmission Rights (FTRs) which allows the member to ''collect rent'' on congested lines and essentially obtain a hedge against congestion. There has been a worrisome slowdown in the growth of the transmission system in the United States since about the mid 70's. However, there are methods for providing incentives for construction of new transmission using tariffs. The California and PJM transmission planning processes are outlined. The Federal Energy Regulatory Commission (FERC) has recently issued a proposed rulemaking on Regional Transmission Organizations (RTOs) which stated that the traditional methods of grid management are showing signs of strain and may be inadequate to support efficient and reliable transmission operations. Chapter 5 provides examples of market implementations and a discussion of the price spikes seen in the Midwest in the summers of 1998 and 1999. An examination of six restructured market

  19. Preparation, characterization and magnetization of nano and bulk Ni0.5Co0.5-2xLixFe2+xO4 samples

    Science.gov (United States)

    Assar, S. T.; Abosheiasha, H. F.; Saafan, S. A.; El Nimr, M. K.

    2015-03-01

    Nanoparticle samples of Ni0.5Co0.5-2xLixFe2+xO4 (x = 0.05-0.25) have been prepared by using citrate precursor method. The powders have been divided equally into two groups; one group has been sintered at 600 °C for 2 h to keep the size of the particles at the nano scale. The other group has been sintered at 1115 °C for the same duration to prompt the growth of the particles to the bulk size. The effect of increasing Li1+ and Fe3+ ions on the expense of Co2+ ions on microstructure and some magnetic properties has been studied for the two groups. For that purpose, X-ray diffraction XRD, transmission electron microscopy TEM, Fourier transform infrared FTIR spectroscopy and vibrating sample magnetometer VSM have been used to investigate the samples. Moreover, the effect of varying the pH of the solution during the preparation procedure on different properties has been investigated for one composition; that is, for the sample of x = 0.05. The XRD analysis has confirmed the formation of the required samples, while TEM images have been used to check up the average size of the particles of two selected samples only. FTIR spectra have revealed the presence of two prominent absorption bands v1 and v2 around 600 cm-1 and 400 cm-1 which are usually attributed to the tetrahedral and octahedral complexes in the spinel lattice, respectively. The magnetic measurements may be explained on the basis of a suggested cation distribution although they may be slightly affected by many other factors.

  20. Thermal expansivity and bulk modulus of ZnO with NaCl-type cubic structure at high pressures and temperatures

    International Nuclear Information System (INIS)

    Sun Xiaowei; Liu Zijiang; Chen Qifeng; Chu Yandong; Wang Chengwei

    2006-01-01

    The thermal expansivity and bulk modulus of ZnO with NaCl-type cubic structure were estimated by using the constant temperature and pressure molecular dynamics technique with effective pair potentials which consist of the Coulomb, dispersion, and repulsion interaction at high pressures and temperatures. It is shown that the calculated thermodynamic parameters including linear thermal expansion coefficient, isothermal bulk modulus and its pressure derivative are in good agreement with the available experimental data and the latest theoretical results. At an extended pressure and temperature ranges, linear thermal expansion coefficient and isothermal bulk modus have also been predicted. The thermodynamic properties of ZnO with NaCl-type cubic structure are summarized in the pressure 0-150 GPa ranges and the temperature up to 3000 K

  1. 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

    A simple route to prepare Gd0.7Sr0.3MnO3 nanoparticles by ultrasonication of their bulk powder materials is presented in this article. For comparison, Gd0.7Sr0.3MnO3 nanoparticles are also prepared by ball milling. The prepared samples are characterized by X-ray diffraction (XRD), field emission...

  2. Isomeric cysteinyldopas provide a (photo)degradable bulk component and a robust structural element in red human hair pheomelanin.

    Science.gov (United States)

    Greco, Giorgia; Wakamatsu, Kazumasa; Panzella, Lucia; Ito, Shosuke; Napolitano, Alessandra; d'Ischia, Marco

    2009-06-01

    Alkaline H(2)O(2) degradation of red hair pheomelanin gave, besides 6-(2-amino-2-carboxyethyl)-2-carboxy-4-hydroxybenzothiazole (BTCA), a new product which was identified as 7-(2-amino-2-carboxyethyl)-2-carboxy-4-hydroxybenzothiazole (BTCA-2) originating from 2-S-cysteinyldopa (2SCD) derived units. BTCA-2 was also obtained from a variety of pheomelanic tissues and synthetic pigments. Simultaneous determination of BTCA and BTCA-2 in segments of red hair locks taken at variable distances from the scalp in a group of 19 individuals indicated an abrupt drop of BTCA yields on passing from root to tip, whereas BTCA-2 values remained virtually constant throughout hair length. Analysis of 4-amino-3-hydroxyphenylalanine (AHP) and 3-aminotyrosine (AT) in the same lock segments showed a closely similar trend, whereas yields of thiazole-2,4,5-tricarboxylic acid (TTCA) increased with increasing the distance from the scalp. Prolonged exposure of hair locks to sunlight caused a significant decrease in BTCA-, but not BTCA-2-yielding elements. Finally, model studies showed a substantial degradation of 5SCD-, but not 2SCD-derived units, during pheomelanin synthesis in vitro. It is concluded that red hair pheomelanin consists of a degradable 5SCD-derived bulk component associated with stable 2SCD-derived units. Structural degradation occurs during hair growth probably as a result of oxidative processes related in part to sun exposure.

  3. Bulk Single Crystal-Like Structural and Magnetic Characteristics of Epitaxial Spinel Ferrite Thin Films with Elimination of Antiphase Boundaries.

    Science.gov (United States)

    Singh, Amit V; Khodadadi, Behrouz; Mohammadi, Jamileh Beik; Keshavarz, Sahar; Mewes, Tim; Negi, Devendra Singh; Datta, Ranjan; Galazka, Zbigniew; Uecker, Reinhard; Gupta, Arunava

    2017-08-01

    Spinel ferrite NiFe 2 O 4 thin films have been grown on three isostructural substrates, MgAl 2 O 4 , MgGa 2 O 4 , and CoGa 2 O 4 using pulsed laser deposition. These substrates have lattice mismatches of 3.1%, 0.8%, and 0.2%, respectively, with NiFe 2 O 4 . As expected, the films grown on MgAl 2 O 4 substrate show the presence of the antiphase boundary defects. However, no antiphase boundaries (APBs) are observed for films grown on near-lattice-matched substrates MgGa 2 O 4 and CoGa 2 O 4 . This demonstrates that by using isostructural and lattice-matched substrates, the formation of APBs can be avoided in NiFe 2 O 4 thin films. Consequently, static and dynamic magnetic properties comparable with the bulk can be realized. Initial results indicate similar improvements in film quality and magnetic properties due to the elimination of APBs in other members of the spinel ferrite family, such as Fe 3 O 4 and CoFe 2 O 4 , which have similar crystallographic structure and lattice constants as NiFe 2 O 4 . © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Structure and properties of YBa2Cu3O7-δ superconductor doped with bulk cadmium oxide

    Directory of Open Access Journals (Sweden)

    A Echresh

    2010-09-01

    Full Text Available In this paper, the Y1-xCdxBa2Cu3O7-δ superconductor with x=0, 0.05, 0.1, 0.15, 0.2, 0.3, 0.4, 0.5 are prepared using the solid state method and the structure, electrical resistance, critical current density and critical temperature of it, have been studied. The results show that these doping do not affect so much on the structure and lattice parameters. The electrical resistance of samples increased with doping. A little amount of doping cadmium improve critical current density such that the sample x=0.1 has a maximum critical current density among the samples. The critical temperature with doping cadmium up to x=0.2 has little fluctuation and its variation can be ignored, but by increasing up to x=0.5 the critical temperature decreases gradually.

  5. Electronic structure of Fe1.08Te bulk crystals and epitaxial FeTe thin films on Bi2Te3

    Science.gov (United States)

    Arnold, Fabian; Warmuth, Jonas; Michiardi, Matteo; Fikáček, Jan; Bianchi, Marco; Hu, Jin; Mao, Zhiqiang; Miwa, Jill; Singh, Udai Raj; Bremholm, Martin; Wiesendanger, Roland; Honolka, Jan; Wehling, Tim; Wiebe, Jens; Hofmann, Philip

    2018-02-01

    The electronic structure of thin films of FeTe grown on Bi2Te3 is investigated using angle-resolved photoemission spectroscopy, scanning tunneling microscopy and first principles calculations. As a comparison, data from cleaved bulk Fe1.08Te taken under the same experimental conditions is also presented. Due to the substrate and thin film symmetry, FeTe thin films grow on Bi2Te3 in three domains, rotated by 0°, 120°, and 240°. This results in a superposition of photoemission intensity from the domains, complicating the analysis. However, by combining bulk and thin film data, it is possible to partly disentangle the contributions from three domains. We find a close similarity between thin film and bulk electronic structure and an overall good agreement with first principles calculations, assuming a p-doping shift of 65 meV for the bulk and a renormalization factor of around two. By tracking the change of substrate electronic structure upon film growth, we find indications of an electron transfer from the FeTe film to the substrate. No significant change of the film’s electronic structure or doping is observed when alkali atoms are dosed onto the surface. This is ascribed to the film’s high density of states at the Fermi energy. This behavior is also supported by the ab initio calculations.

  6. Sampling and modeling riparian forest structure and riparian microclimate

    Science.gov (United States)

    Bianca N.I. Eskelson; Paul D. Anderson; Hailemariam. Temesgen

    2013-01-01

    Riparian areas are extremely variable and dynamic, and represent some of the most complex terrestrial ecosystems in the world. The high variability within and among riparian areas poses challenges in developing efficient sampling and modeling approaches that accurately quantify riparian forest structure and riparian microclimate. Data from eight stream reaches that are...

  7. Applications of Asymptotic Sampling on High Dimensional Structural Dynamic Problems

    DEFF Research Database (Denmark)

    Sichani, Mahdi Teimouri; Nielsen, Søren R.K.; Bucher, Christian

    2011-01-01

    The paper represents application of the asymptotic sampling on various structural models subjected to random excitations. A detailed study on the effect of different distributions of the so-called support points is performed. This study shows that the distribution of the support points has consid...

  8. Structural and magnetic properties of rapidly quenched and as-cast bulk NdFeBCu alloys

    International Nuclear Information System (INIS)

    Sanchez Ll, J.L.; Bustamante S, R.; Barthem, V.M.T.S.; Miranda, P.E.V. de

    2005-01-01

    A study of the structural and magnetic properties of as-cast and melt spun (x)Nd 2 Fe 14 B(100-x)Nd 70 Cu 30 alloys (x=10, 50 and 75%wt.) is presented. In as-cast alloys for x=10wt%. the formation of a high coercivity phase, referred to as N (T C =240 deg. C, i H C =4.9kOe) is found. N is a (Nd-Fe)-based phase with a Fe/Nd ratio lower than that of phase Nd 2 Fe 14 B (φ). It is suggested that this phase is related to the A 1 phase found in binary Nd-Fe alloys. In melt-spun alloys, at the same x value of 10wt%, another hard phase is found which is suggested to be the Nd 6 Fe 13 Cu δ-phase (T C =192 deg. C, i H C =4.8kOe). Transmission electron microscope (TEM) micrographs of the ribbons with x=10wt% shows the formation of nanograins with a non-uniform grain size distribution. In cast alloys with x=50 and 75wt% large slab-like grains of φ are formed, in the inter-granular region a Nd-Cu eutectic phase and Nd grains, are observed. High coercivities are obtained in ribbons with x=50wt% ( i H C =19.7kOe) and 75wt% ( i H C =13.0kOe). A slight reduction in the Curie temperature of the φ-phase with respect to the bulk value is found in these ribbons

  9. Intelligent sampling for the measurement of structured surfaces

    International Nuclear Information System (INIS)

    Wang, J; Jiang, X; Blunt, L A; Scott, P J; Leach, R K

    2012-01-01

    Uniform sampling in metrology has known drawbacks such as coherent spectral aliasing and a lack of efficiency in terms of measuring time and data storage. The requirement for intelligent sampling strategies has been outlined over recent years, particularly where the measurement of structured surfaces is concerned. Most of the present research on intelligent sampling has focused on dimensional metrology using coordinate-measuring machines with little reported on the area of surface metrology. In the research reported here, potential intelligent sampling strategies for surface topography measurement of structured surfaces are investigated by using numerical simulation and experimental verification. The methods include the jittered uniform method, low-discrepancy pattern sampling and several adaptive methods which originate from computer graphics, coordinate metrology and previous research by the authors. By combining the use of advanced reconstruction methods and feature-based characterization techniques, the measurement performance of the sampling methods is studied using case studies. The advantages, stability and feasibility of these techniques for practical measurements are discussed. (paper)

  10. Three-dimensional grain structure of sintered bulk strontium titanate from X-ray diffraction contrast tomography

    DEFF Research Database (Denmark)

    Syha, M.; Rheinheimer, W.; Bäurer, M.

    2012-01-01

    The three-dimensional grain boundary network of sintered bulk strontium titanate is reconstructed using X-ray diffraction contrast tomography, a non-destructive technique for determining the grain shape and crystallographic orientation in polycrystals that is ideally suited for detailed studies...

  11. Solution electrostatic levitator for measuring surface properties and bulk structures of an extremely supersaturated solution drop above metastable zone width limit

    Science.gov (United States)

    Lee, Sooheyong; Jo, Wonhyuk; Cho, Yong chan; Lee, Hyun Hwi; Lee, Geun Woo

    2017-05-01

    We report on the first integrated apparatus for measuring surface and thermophysical properties and bulk structures of a highly supersaturated solution by combining electrostatic levitation with real-time laser/x-ray scattering. Even today, a proper characterization of supersaturated solutions far above their solubility limits is extremely challenging because heterogeneous nucleation sites such as container walls or impurities readily initiate crystallization before the measurements can be performed. In this work, we demonstrate simultaneous measurements of drying kinetics and surface tension of a potassium dihydrogen phosphate (KH2PO4) aqueous solution droplet and its bulk structural evolution beyond the metastable zone width limit. Our experimental finding shows that the noticeable changes of the surface properties are accompanied by polymerizations of hydrated monomer clusters. The novel electrostatic levitation apparatus presented here provides an effective means for studying a wide range of highly concentrated solutions and liquids in deep metastable states.

  12. Reorientation of the diagonal double-stripe spin structure at Fe1+yTe bulk and thin-film surfaces

    Science.gov (United States)

    Hänke, Torben; Singh, Udai Raj; Cornils, Lasse; Manna, Sujit; Kamlapure, Anand; Bremholm, Martin; Hedegaard, Ellen Marie Jensen; Iversen, Bo Brummerstedt; Hofmann, Philip; Hu, Jin; Mao, Zhiqiang; Wiebe, Jens; Wiesendanger, Roland

    2017-01-01

    Establishing the relation between ubiquitous antiferromagnetism in the parent compounds of unconventional superconductors and their superconducting phase is important for understanding the complex physics in these materials. Going from bulk systems to thin films additionally affects their phase diagram. For Fe1+yTe, the parent compound of Fe1+ySe1-xTex superconductors, bulk-sensitive neutron diffraction revealed an in-plane oriented diagonal double-stripe antiferromagnetic spin structure. Here we show by spin-resolved scanning tunnelling microscopy that the spin direction at the surfaces of bulk Fe1+yTe and thin films grown on the topological insulator Bi2Te3 is canted out of the high-symmetry directions of the surface unit cell resulting in a perpendicular spin component, keeping the diagonal double-stripe order. As the magnetism of the Fe d-orbitals is intertwined with the superconducting pairing in Fe-based materials, our results imply that the superconducting properties at the surface of the related superconducting compounds might be different from the bulk.

  13. Structure-Processing Relationships in Solution Processable Polymer Thin Film Transistors and Small Molecule Bulk Heterojunction Solar Cells

    Science.gov (United States)

    Perez, Louis A.

    A regio-regular (RR) conjugated copolymer based on cyclopenta[2,1-b:3,4- b]dithiophene (CDT) and pyridal[2,1,3]thiadiazole (PT) structural units was prepared by using polymerization reactions involving reactants specifically designed to avoid random orientation of the asymmetric PT heterocycle. Compared to its regio-irregular (RI) counterpart, the RR polymer exhibits a two orders of magnitude increase in hole mobility from 0.005 to 0.6 cm2V -1s-1. To probe the reason for this difference in mobility, we examined the crystalline structure and its orientation in thin films of both copolymers as a function of depth via grazing incidence wide angle X-ray scattering (GIWAXS). In the RI film, the pi-pi stacking direction of the crystallites is mainly perpendicular to the substrate normal (edge-on orientation) while in the RR film the crystallites adopt a mixed pi-pi stacking orientation in the center of the film as well as near the interface between the polymer and the dielectric layer. These results demonstrate that control of backbone regularity is another important design criterion to consider in the synthesis and optimization of new conjugated copolymers with asymmetric structural units. Solution processed organic photovoltaic devices (OPVs) have emerged as a promising sustainable energy technology due to their ease of fabrication, potential to enable low-cost manufacturing, and ability to be incorporated onto light-weight flexible substrates. To date, the most efficacious OPV device architecture, the bulk heterojunction (BHJ), consists of a blend of a light-harvesting conjugated organic electron donating molecule and a strong electron-accepting compound (usually a soluble fullerene derivative e.g. [6,6]-phenyl C71 butyric acid methyl ester (PC71BM). BHJ layer morphology, which has been shown to be highly dependent on processing, has a significant effect on OPV performance. It is postulated that optimal BHJ morphologies consist of discrete bicontinuous nanoscale

  14. An Arabidopsis example of association mapping in structured samples.

    Directory of Open Access Journals (Sweden)

    Keyan Zhao

    2007-01-01

    Full Text Available A potentially serious disadvantage of association mapping is the fact that marker-trait associations may arise from confounding population structure as well as from linkage to causative polymorphisms. Using genome-wide marker data, we have previously demonstrated that the problem can be severe in a global sample of 95 Arabidopsis thaliana accessions, and that established methods for controlling for population structure are generally insufficient. Here, we use the same sample together with a number of flowering-related phenotypes and data-perturbation simulations to evaluate a wider range of methods for controlling for population structure. We find that, in terms of reducing the false-positive rate while maintaining statistical power, a recently introduced mixed-model approach that takes genome-wide differences in relatedness into account via estimated pairwise kinship coefficients generally performs best. By combining the association results with results from linkage mapping in F2 crosses, we identify one previously known true positive and several promising new associations, but also demonstrate the existence of both false positives and false negatives. Our results illustrate the potential of genome-wide association scans as a tool for dissecting the genetics of natural variation, while at the same time highlighting the pitfalls. The importance of study design is clear; our study is severely under-powered both in terms of sample size and marker density. Our results also provide a striking demonstration of confounding by population structure. While statistical methods can be used to ameliorate this problem, they cannot always be effective and are certainly not a substitute for independent evidence, such as that obtained via crosses or transgenic experiments. Ultimately, association mapping is a powerful tool for identifying a list of candidates that is short enough to permit further genetic study.

  15. Origin, Bulk Chemical Composition and Physical Structure of the Galilean Satellites of Jupiter: A Post-Galileo Analysis

    Science.gov (United States)

    Prentice, A. J. R.

    1999-01-01

    Callisto, NH3 ice makes up -5% of the condensate mass next to h-rock (approximately 50%) and H2O ice (approximately 45%). Detailed thermal and structural models for each of Europa, Ganymede and Callisto are constructed on the basis of the above initial bulk chemical compositions. For Europa (E), a predicted 2-zone model consisting of a dehydrated rock core of mass 0.912 M (sub E) and a 150 km thick frozen mantle of salty H2O yields a moment-of-inertia coefficient which matches the Galileo Orbiter gravity measurement. For Ganymede (G), a 3-zone model possessing an inner core of solid FeS and mass approximately 0.116 M (sub G), and an outer H2O ice mantle of mass approximately 0.502 M (sub G) is needed to explain the gravity data. Ganymede's native magnetic field was formed by thermoremanent magnetization of Fe3O4. A new Callisto (C) model is proposed consisting of a core of mass 0.826 M (sub C) containing a uniform mixture of h-rock (60% by mass) and H2O and NH3 ices, and capped by a mantle of pure ice. This model may have the capacity to yield a thin layer of liquid NH3 (raised dot) 2H2O at the core boundary, in line with Galileo's discovery of an induced magnetic field.

  16. Impact of Bulk Aggregation on the Electronic Structure of Streptocyanines: Implications for the Solid-State Nonlinear Optical Properties and All-Optical Switching Applications

    KAUST Repository

    Gieseking, Rebecca L.

    2014-10-16

    Polymethine dyes in dilute solutions show many of the electronic and optical properties required for all-optical switching applications. However, in the form of thin films, their aggregation and interactions with counterions do generally strongly limit their utility. Here, we present a theoretical approach combining molecular-dynamics simulations and quantum-chemical calculations to describe the bulk molecular packing of streptocyanines (taken as representative of simple polymethines) with counterions of different hardness (Cl and BPh4 ) and understand the impact on the optical properties. The accuracy of the force field we use is verified by reproducing experimental crystal parameters as well as the configurations of polymethine/counterion complexes obtained from electronic-structure calculations. The aggregation characteristics can be understood in terms of both polymethinecounterion and polymethinepolymethine interactions. The counterions are found to localize near one end of the streptocyanine backbones, and the streptocyanines form a broad range of aggregates with significant electronic couplings between neighboring molecules. As a consequence, the linear and nonlinear optical properties are substantially modified in the bulk. By providing an understanding of the relationship between the molecular interactions and the bulk optical properties, our results point to a clear strategy for designing polymethine and counterion molecular structures and optimizing the materials properties for all-optical switching applications.

  17. Occurrence and significance of evanescent fields in structured samples

    Science.gov (United States)

    Perin, Jean-Pierre; Hingerl, Kurt

    2017-11-01

    Spectroscopic ellipsometry is currently widely used to describe the polarimetric response of structured media. The conceptional shortcomings of the commonly used Fresnel approach to predict and simulate ellipsometric data of structured media is discussed using numerical solutions of Maxwell's equations. Fresnel's relations and Snell's law are, strictly speaking, not valid anymore. We explain via simple physical models the effects occurring at non-horizontal interfaces between different materials. At such interfaces, evanescent fields occur and modify the still well defined complex reflectivities for s- and p-polarization. When the field vector projected on the sample surface is neither parallel nor perpendicular to the interface, the fields for s- and p-polarization couple and cross-polarization arises from the different spatial behavior of the evanescent fields.

  18. Lake and bulk sampling chemistry, NADP, and IMPROVE air quality data analysis on the Bridger-Teton National Forest (USFS Region 4)

    Science.gov (United States)

    Jill Grenon; Terry Svalberg; Ted Porwoll; Mark Story

    2010-01-01

    Air quality monitoring data from several programs in and around the Bridger-Teton (B-T) National Forest - National Atmospheric Deposition Program (NADP), longterm lake monitoring, long-term bulk precipitation monitoring (both snow and rain), and Interagency Monitoring of Protected Visual Environments (IMPROVE) - were analyzed in this report. Trends were analyzed using...

  19. Glass formation ability, structure and magnetocaloric effect of a heavy rare-earth bulk metallic glassy Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Jo, C.-L. [Shanghai University, School of Materials Science and Engineering, Yanchang Road 149, Zhabei District, 200072 Shanghai (China)], E-mail: jochollong@163.com; Xia Lei; Ding Ding; Dong Yuanda; Gracien, Ekoko [Shanghai University, School of Materials Science and Engineering, Yanchang Road 149, Zhabei District, 200072 Shanghai (China)

    2008-06-30

    The glass formation ability, the structure and the magnetocaloric effect of the bulk metallic glassy Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy were investigated. Bulk metallic glassy (BMGs) alloys were prepared by a copper-mold casting method. The glass forming ability and their structure were studied by using X-ray diffraction (XRD) and differential scanning calorimeter (DSC). The XRD analysis revealed that the as-cast cylinder of Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy showed fully amorphous structure in 2 mm diameter. The DSC revealed that the bulk cylinder of the Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} alloy showed a distinct glass transition temperature and a relatively wide supercooled liquid region before crystallization. SQUID investigated the magnetic properties and the entropy changes. The Curie temperature of Gd{sub 55}Co{sub 20}Fe{sub 5}Al{sub 20} BMGs alloy was about 130 K, but the maximum magnetic entropy changes(-{delta}S{sub M}) showed at about 125 K, a little lower than the Curie temperature 130 K. The reason could probably be due to the presence of a little amount of nanocrystalline particles between amorphous phases. The BMG alloy has the characteristic of second-order transition (SOT) on Arrott plots. The results showed that the amorphous sample had a relatively improved magnetocaloric effect, indicating that the amorphous alloy could be considered as a candidate for magnetic refrigeration applications in the temperature interval range of 100-200 K.

  20. Oxidative stability of structured lipids containing C18:0, C18:1, C18:2, C18:3 or CLA in sn 2-position - as bulk lipids and in milk drinks

    DEFF Research Database (Denmark)

    Timm Heinrich, Maike; Nielsen, Nina Skall; Xu, Xuebing

    2004-01-01

    In this study, we compared the oxidative stability of a specific structured lipid (SL) containing conjugated linoleic acid (CLA) in the sn2-position with SL containing other C18 fatty acids of different degree of unsaturation (stearic, oleic, linoleic or linolenic acid). SL was produced by enzyma......In this study, we compared the oxidative stability of a specific structured lipid (SL) containing conjugated linoleic acid (CLA) in the sn2-position with SL containing other C18 fatty acids of different degree of unsaturation (stearic, oleic, linoleic or linolenic acid). SL was produced...... by enzymatic interesterification with caprylic acid. Oxidative stability was compared in the five lipids themselves and in milk drinks containing 5% of the different SL. During storage, samples were taken for chemical and physical analyses. Moreover, sensory assessments were performed on milk drinks....... The oxidative stability of our SL was very different when comparing (a) bulk lipids and milk drink and (b) the five different batches of each product. SL based on oleic acid was the most unstable as bulk lipid, while SL based on linoleic acid was the most unstable in milk drink. SL based on CLA was the second...

  1. Impact of the structural state on the mechanical properties in a Zr–Co–Al bulk metallic glass

    International Nuclear Information System (INIS)

    Qiao, J.C.; Pelletier, J.M.; Esnouf, C.; Liu, Y.; Kato, H.

    2014-01-01

    Highlights: • Atomic mobility in metallic glass was studied by DMA, HRTEM and nanoindentation. • Physical ageing and crystallization reduce the atomic mobility. • Plastic deformation, i.e. cold-rolling enhances the atomic mobility. • Atomic mobility in glassy materials can be described by quasi-point defects model. - Abstract: This paper reports on the use of differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA) and nanoindentation technique to investigate atomic mobility in Zr 56 Co 28 Al 16 bulk metallic glass in the as-cast state, after thermal annealing and after cold rolling. From the DMA results together with nanoindentation data point of view, the atomic mobility is significantly modified by the thermo-mechanical history. On the one hand, atomic mobility in bulk metallic glass is reduced after physical aging or crystallization. On the other hand, the atomic mobility in metallic glass is enhanced by cold rolling. To analyze the atomic mobility in amorphous materials, a physical theory is introduced. This model invoked the concept of quasi-point defects, which correspond to the density fluctuations in the glassy materials. Correlated movements of atoms are assisted by these quasi-point defects and the correlation factor χ is connected to the concentration of these “defects” in metallic glasses: (i) physical aging and crystallization decreases the parameter χ and (ii) the concentration of defects augments via plastic deformation (i.e. cold-rolling), suggesting that the correlation factor χ reflects the atomic mobility for glassy materials in a quantitative manner. This correlation bridges the gap between the mechanical properties on macroscopic scale and atomic mobility in microstructural regions in metallic glasses

  2. Study of high-overtone bulk acoustic resonators based on the Me1/AlN/Me2/(100) diamond piezoelectric layered structure

    Science.gov (United States)

    Sorokin, B. P.; Kvashnin, G. M.; Telichko, A. V.; Gordeev, G. I.; Burkov, S. I.; Blank, V. D.

    2015-07-01

    The Me1/AlN/Me2/(100) diamond structure has been theoretically analyzed and experimentally investigated in the range 0.5-10 GHz using high-overtone bulk acoustic resonators with different electrodes topologies based on the Al/AlN/Mo/(100) diamond structure. The maximum quality parameter Q × f ≈ 1014 Hz was obtained at f = 9.5 GHz. The layered structure has been analyzed using the developed HBAR software v. 2.3. It is demonstrated that the features in the frequency dependences of the parameters of such resonators are related to the behavior of a loaded thin-film piezoelectric transducer. The calculation results are in good agreement with the experiment. The frequency dependences of the equivalent parameters of the resonators have been calculated. It is shown that the synthetic type IIa diamond single crystal in combination with aluminum nitride is promising for implementation of high-Q acoustoelectronic microwave devices.

  3. 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.

  4. Structural, chemical, and thermoelectric properties of Bi{sub 2}Te{sub 3} Peltier materials. Bulk, thin films, and superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Peranio, Nicola

    2008-07-01

    In this work, the nature of the natural nanostructure (nns) was analysed and the correlations to the transport coefficients, particularly the lattice thermal conductivity, is discussed. Experimental methods are presented for the first time, yielding an accurate quantitative analysis of the chemical composition and of stress fields in Bi{sub 2}Te{sub 3} and in compounds with similar structural and chemical microstructures. This work can be subdivided as follows: (I) N-type Bi{sub 2}(Te{sub 0.91}Se{sub 0.09}){sub 3} and p-type (Bi{sub 0.26}Sb{sub 0.74}){sub 1.98}(Te{sub 0.99}Se{sub 0.01}){sub 3.02} bulk materials synthesised by the Bridgman technique. (II) Bi{sub 2}Te{sub 3} thin films and Bi{sub 2}Te{sub 3}/Bi{sub 2}(Te{sub 0.88}Se{sub 0.12}){sub 3} superlattices epitaxially grown by molecular beam epitaxy (MBE) on BaF{sub 2} substrates with periods of {delta}-12 nm at the Fraunhofer-Institut fuer Physikalische Messtechnik (IPM). (III) Experimental methods, i.e., TEM specimen preparation, high-accuracy quantitative chemical analysis by EDX in the TEM, and image simulations of dislocations and the nns according to the two-beam dynamical diffraction theory. The nns was analysed in detail by stereomicroscopy and by image simulation and was found to be a pure sinusoidal displacement field with (i) a displacement vector parallel to <5,-5,1> and an amplitude of about 10 pm and (ii) a wave vector parallel to {l_brace}1,0,10{r_brace} and a wavelength of 10 nm. The results obtained here showed a significant amount of stress in the samples, induced by the nns which was still not noticed and identified. Both kinds of nanostructures, artificial (ans) and natural (nns) nanostructures, yielded in thermoelectric materials a low lattice thermal conductivity which was beneficial for the thermoelectric figure of merit ZT. (orig.)

  5. Cobalt Phthalocyanine Modified Electrodes Utilised in Electroanalysis: Nano-Structured Modified Electrodes vs. Bulk Modified Screen-Printed Electrodes

    Science.gov (United States)

    Foster, Christopher W.; Pillay, Jeseelan; Metters, Jonathan P.; Banks, Craig E.

    2014-01-01

    Cobalt phthalocyanine (CoPC) compounds have been reported to provide electrocatalytic performances towards a substantial number of analytes. In these configurations, electrodes are typically constructed via drop casting the CoPC onto a supporting electrode substrate, while in other cases the CoPC complex is incorporated within the ink of a screen-printed sensor, providing a one-shot economical and disposable electrode configuration. In this paper we critically compare CoPC modified electrodes prepared by drop casting CoPC nanoparticles (nano-CoPC) onto a range of carbon based electrode substrates with that of CoPC bulk modified screen-printed electrodes in the sensing of the model analytes l-ascorbic acid, oxygen and hydrazine. It is found that no “electrocatalysis” is observed towards l-ascorbic acid using either of these CoPC modified electrode configurations and that the bare underlying carbon electrode is the origin of the obtained voltammetric signal, which gives rise to useful electroanalytical signatures, providing new insights into literature reports where “electrocatalysis” has been reported with no clear control experiments undertaken. On the other hand true electrocatalysis is observed towards hydrazine, where no such voltammetric features are witnessed on the bare underlying electrode substrate. PMID:25414969

  6. Cobalt phthalocyanine modified electrodes utilised in electroanalysis: nano-structured modified electrodes vs. bulk modified screen-printed electrodes.

    Science.gov (United States)

    Foster, Christopher W; Pillay, Jeseelan; Metters, Jonathan P; Banks, Craig E

    2014-11-19

    Cobalt phthalocyanine (CoPC) compounds have been reported to provide electrocatalytic performances towards a substantial number of analytes. In these configurations, electrodes are typically constructed via drop casting the CoPC onto a supporting electrode substrate, while in other cases the CoPC complex is incorporated within the ink of a screen-printed sensor, providing a one-shot economical and disposable electrode configuration. In this paper we critically compare CoPC modified electrodes prepared by drop casting CoPC nanoparticles (nano-CoPC) onto a range of carbon based electrode substrates with that of CoPC bulk modified screen-printed electrodes in the sensing of the model analytes L-ascorbic acid, oxygen and hydrazine. It is found that no "electrocatalysis" is observed towards L-ascorbic acid using either of these CoPC modified electrode configurations and that the bare underlying carbon electrode is the origin of the obtained voltammetric signal, which gives rise to useful electroanalytical signatures, providing new insights into literature reports where "electrocatalysis" has been reported with no clear control experiments undertaken. On the other hand true electrocatalysis is observed towards hydrazine, where no such voltammetric features are witnessed on the bare underlying electrode substrate.

  7. Cobalt Phthalocyanine Modified Electrodes Utilised in Electroanalysis: Nano-Structured Modified Electrodes vs. Bulk Modified Screen-Printed Electrodes

    Directory of Open Access Journals (Sweden)

    Christopher W. Foster

    2014-11-01

    Full Text Available Cobalt phthalocyanine (CoPC compounds have been reported to provide electrocatalytic performances towards a substantial number of analytes. In these configurations, electrodes are typically constructed via drop casting the CoPC onto a supporting electrode substrate, while in other cases the CoPC complex is incorporated within the ink of a screen-printed sensor, providing a one-shot economical and disposable electrode configuration. In this paper we critically compare CoPC modified electrodes prepared by drop casting CoPC nanoparticles (nano-CoPC onto a range of carbon based electrode substrates with that of CoPC bulk modified screen-printed electrodes in the sensing of the model analytes L-ascorbic acid, oxygen and hydrazine. It is found that no “electrocatalysis” is observed towards L-ascorbic acid using either of these CoPC modified electrode configurations and that the bare underlying carbon electrode is the origin of the obtained voltammetric signal, which gives rise to useful electroanalytical signatures, providing new insights into literature reports where “electrocatalysis” has been reported with no clear control experiments undertaken. On the other hand true electrocatalysis is observed towards hydrazine, where no such voltammetric features are witnessed on the bare underlying electrode substrate.

  8. Charge transition levels of oxygen, lanthanum, and fluorine related defect structures in bulk hafnium dioxide (HfO{sub 2}): An ab initio investigation

    Energy Technology Data Exchange (ETDEWEB)

    Leitsmann, Roman, E-mail: leitsmann@matcalc.de; Lazarevic, Florian; Plänitz, Philipp [AQomputare GmbH, Annabergerstr. 240, 09125 Chemnitz (Germany); Nadimi, Ebrahim [Faculty of Electrical Engineering, K. N. Toosi University of Technology, 16317-14191 Tehran (Iran, Islamic Republic of); Öttking, Rolf [Institut für Physik, Technische Universität Illmenau, 98693 Illmenau (Germany); Erben, Elke [Globalfoundries Dresden, Wilschdorfer Landstr. 101, 01109 Dresden (Germany)

    2015-06-28

    Intrinsic defect structures and impurity atoms are one of the main sources of leakage current in metal-oxide-semiconductor devices. Using state of the art density functional theory, we have investigated oxygen, lanthanum, and fluorine related defect structures and possible combinations of them. In particular, we have calculated their charge transition levels in bulk m-HfO{sub 2}. For this purpose, we have developed a new scaling scheme to account for the band gap underestimation within the density functional theory. The obtained results are able to explain the recent experimental observation of a reduction of the trap density near the silicon valence band edge after NF{sub 3} treatment and the associated reduction of the device degradation.

  9. Bulk electronic structure of superconducting LaRu2P2 single crystals measured by soft-X-ray angle-resolved photoemission spectroscopy.

    Science.gov (United States)

    Razzoli, E; Kobayashi, M; Strocov, V N; Delley, B; Bukowski, Z; Karpinski, J; Plumb, N C; Radovic, M; Chang, J; Schmitt, T; Patthey, L; Mesot, J; Shi, M

    2012-06-22

    We present a soft x-ray angle-resolved photoemission spectroscopy (SX-ARPES) study of the stoichiometric pnictide superconductor LaRu(2)P(2). The observed electronic structure is in good agreement with density functional theory (DFT) calculations. However, it is significantly different from its counterpart in high-temperature superconducting Fe pnictides. In particular, the bandwidth renormalization present in the Fe pnictides (~2-3) is negligible in LaRu(2)P(2) even though the mass enhancement is similar in both systems. Our results suggest that the superconductivity in LaRu(2) P(2) has a different origin with respect to the iron pnictides. Finally, we demonstrate that the increased probing depth of SX-ARPES, compared to the widely used ultraviolet ARPES, is essential in determining the bulk electronic structure in the experiment.

  10. Occurrence of enterotoxin genes and macrorestriction analysis of Staphylococcus aureus isolated from bovine mastitis and bulk-tank milk samples in Italy. An epidemiological study

    Directory of Open Access Journals (Sweden)

    Roberto Rosmini

    2010-01-01

    Full Text Available The goal of the study was to genotypically compare S. aureus isolates from mastitis milk and raw milk to identify therelation between strains and to assess the enterotoxigenicity of the isolates. Eighty-three Staphylococcus aureus isolatesrecovered from cows and bulk tank milk of five farms in northern Italy were compared genotypically. The genes for theenterotoxins A, D, G and I, but not for B, C, E and H and the toxic shock syndrome toxin 1 (TSST-1, were detected byPCR amplification. Macrorestriction analysis with the restrictions enzyme SmaI revealed 14 pulsed-field gel electrophoresispatterns. These were in part different from each other only in a few fragments and thus displayed a closeclonal relation. The results of the present investigation showed that identical or closely related clones seemed to beresponsible for the cases of bovine mastitis in the farms investigated and partly responsible for contamination of bulktank milk.

  11. On the role of API in determining porosity, pore structure and bulk modulus of the skeletal material in pharmaceutical tablets formed with MCC as sole excipient.

    Science.gov (United States)

    Ridgway, Cathy; Bawuah, Prince; Markl, Daniel; Zeitler, J Axel; Ketolainen, Jarkko; Peiponen, Kai-Erik; Gane, Patrick

    2017-06-30

    The physical properties and mechanical integrity of pharmaceutical tablets are of major importance when loading with active pharmaceutical ingredient(s) (API) in order to ensure ease of processing, control of dosage and stability during transportation and handling prior to patient consumption. The interaction between API and excipient, acting as functional extender and binder, however, is little understood in this context. The API indomethacin is combined in this study with microcrystalline cellulose (MCC) at increasing loading levels. Tablets from the defined API/MCC ratios are made under conditions of controlled porosity and tablet thickness, resulting from different compression conditions, and thus compaction levels. Mercury intrusion porosimetry is used to establish the accessible pore volume, pore size distribution and, adopting the observed region of elastic intrusion-extrusion at high pressure, an elastic bulk modulus of the skeletal material is recorded. Porosity values are compared to previously published values derived from terahertz (THz) refractive index data obtained from exactly the same tablet sample sets. It is shown that the elastic bulk modulus is dependent on API wt% loading under constant tablet preparation conditions delivering equal dimensions and porosity. The findings are considered of novel value in respect to establishing consistency of tablet production and optimisation of physical properties. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Distinct effects of Cr bulk doping and surface deposition on the chemical environment and electronic structure of the topological insulator Bi2Se3

    Science.gov (United States)

    Yilmaz, Turgut; Hines, William; Sun, Fu-Chang; Pletikosić, Ivo; Budnick, Joseph; Valla, Tonica; Sinkovic, Boris

    2017-06-01

    In this report, it is shown that Cr doped into the bulk and Cr deposited on the surface of Bi2Se3 films produced by molecular beam epitaxy (MBE) have strikingly different effects on both the electronic structure and chemical environment. Angle resolved photoemission spectroscopy (ARPES) shows that Cr doped into the bulk opens a surface state energy gap which can be seen at room temperature; much higher than the measured ferromagnetic transition temperature of ≈10 K. On the other hand, similar ARPES measurements show that the surface states remain gapless down to 15 K for films with Cr surface deposition. In addition, core-level photoemission spectroscopy of the Bi 5d, Se 3d, and Cr 3p core levels show distinct differences in the chemical environment for the two methods of Cr introduction. Surface deposition of Cr results in the formation of shoulders on the lower binding energy side for the Bi 5d peaks and two distinct Cr 3p peaks indicative of two Cr sites. These striking differences suggests an interesting possibility that better control of doping at only near surface region may offer a path to quantum anomalous Hall states at higher temperatures than reported in the literature.

  13. Molecular Dynamics-based Simulations of Bulk/Interfacial Structures and Diffusion Behaviors in Nuclear Waste Glasses

    Energy Technology Data Exchange (ETDEWEB)

    Du, Jincheng

    2018-03-16

    This NEUP Project aimed to generate accurate atomic structural models of nuclear waste glasses by using large-scale molecular dynamics-based computer simulations and to use these models to investigate self-diffusion behaviors, interfacial structures, and hydrated gel structures formed during dissolution of these glasses. The goal was to obtain realistic and accurate short and medium range structures of these complex oxide glasses, to provide a mechanistic understanding of the dissolution behaviors, and to generate reliable information with predictive power in designing nuclear waste glasses for long-term geological storage. Looking back of the research accomplishments of this project, most of the scientific goals initially proposed have been achieved through intensive research in the three and a half year period of the project. This project has also generated a wealth of scientific data and vibrant discussions with various groups through collaborations within and outside of this project. Throughout the project one book chapter and 14 peer reviewed journal publications have been generated (including one under review) and 16 presentations (including 8 invited talks) have been made to disseminate the results of this project in national and international conference. Furthermore, this project has trained several outstanding graduate students and young researchers for future workforce in nuclear related field, especially on nuclear waste immobilization. One postdoc and four PhD students have been fully or partially supported through the project with intensive training in the field material science and engineering with expertise on glass science and nuclear waste disposal

  14. Characterization of waferstepper and process related front- to backwafer overlay errors in bulk micro machining using electrical overlay test structures

    NARCIS (Netherlands)

    Van Zeijl, H.W.; Bijnen, F.G.C.; Slabbekoorn, J.

    2004-01-01

    To validate the Front- To Backwafer Alignment (FTBA) calibration and to investigate process related overlay errors, electrical overlay test structures are used that requires FTBA [1]. Anisotropic KOH etch through the wafer is applied to transfer the backwafer pattern to the frontwafer. Consequently,

  15. Catalytic Hydrogenation of Levulinic Acid in Water into g-Valerolactone over Bulk Structure of Inexpensive Intermetallic Ni-Sn Alloy Catalysts

    Directory of Open Access Journals (Sweden)

    Rodiansono Rodiansono

    2015-07-01

    Full Text Available A bulk structure of inexpensive intermetallic nickel-tin (Ni-Sn alloys catalysts demonstrated highly selective in the hydrogenation of levulinic acid in water into g-valerolactone. The intermetallic Ni-Sn catalysts were synthesized via a very simple thermochemical method from non-organometallic precursor at low temperature followed by hydrogen treatment at 673 K for 90 min. The molar ratio of nickel salt and tin salt was varied to obtain the corresponding Ni/Sn ratio of 4.0, 3.0, 2.0, 1.5, and 0.75. The formation of Ni-Sn alloy species was mainly depended on the composition and temperature of H2 treatment. Intermetallics Ni-Sn that contain Ni3Sn, Ni3Sn2, and Ni3Sn4 alloy phases are known to be effective heterogeneous catalysts for levulinic acid hydrogenation giving very excellence g-valerolactone yield of >99% at 433 K, initial H2 pressure of 4.0 MPa within 6 h. The effective hydrogenation was obtained in H2O without the formation of by-product. Intermetallic Ni-Sn(1.5 that contains Ni3Sn2 alloy species demonstrated very stable and reusable catalyst without any significant loss of its selectivity. © 2015 BCREC UNDIP. All rights reserved. Received: 26th February 2015; Revised: 16th April 2015; Accepted: 22nd April 2015  How to Cite: Rodiansono, R., Astuti, M.D., Ghofur, A., Sembiring, K.C. (2015. Catalytic Hydrogenation of Levulinic Acid in Water into g-Valerolactone over Bulk Structure of Inexpensive Intermetallic Ni-Sn Alloy Catalysts. Bulletin of Chemical Reaction Engineering & Catalysis, 10 (2: 192-200. (doi:10.9767/bcrec.10.2.8284.192-200Permalink/DOI: http://dx.doi.org/10.9767/bcrec.10.2.8284.192-200  

  16. Network Structure and Biased Variance Estimation in Respondent Driven Sampling.

    Science.gov (United States)

    Verdery, Ashton M; Mouw, Ted; Bauldry, Shawn; Mucha, Peter J

    2015-01-01

    This paper explores bias in the estimation of sampling variance in Respondent Driven Sampling (RDS). Prior methodological work on RDS has focused on its problematic assumptions and the biases and inefficiencies of its estimators of the population mean. Nonetheless, researchers have given only slight attention to the topic of estimating sampling variance in RDS, despite the importance of variance estimation for the construction of confidence intervals and hypothesis tests. In this paper, we show that the estimators of RDS sampling variance rely on a critical assumption that the network is First Order Markov (FOM) with respect to the dependent variable of interest. We demonstrate, through intuitive examples, mathematical generalizations, and computational experiments that current RDS variance estimators will always underestimate the population sampling variance of RDS in empirical networks that do not conform to the FOM assumption. Analysis of 215 observed university and school networks from Facebook and Add Health indicates that the FOM assumption is violated in every empirical network we analyze, and that these violations lead to substantially biased RDS estimators of sampling variance. We propose and test two alternative variance estimators that show some promise for reducing biases, but which also illustrate the limits of estimating sampling variance with only partial information on the underlying population social network.

  17. Modelling of bulk superconductor magnetization

    International Nuclear Information System (INIS)

    Ainslie, M D; Fujishiro, H

    2015-01-01

    This paper presents a topical review of the current state of the art in modelling the magnetization of bulk superconductors, including both (RE)BCO (where RE = rare earth or Y) and MgB 2 materials. Such modelling is a powerful tool to understand the physical mechanisms of their magnetization, to assist in interpretation of experimental results, and to predict the performance of practical bulk superconductor-based devices, which is particularly important as many superconducting applications head towards the commercialization stage of their development in the coming years. In addition to the analytical and numerical techniques currently used by researchers for modelling such materials, the commonly used practical techniques to magnetize bulk superconductors are summarized with a particular focus on pulsed field magnetization (PFM), which is promising as a compact, mobile and relatively inexpensive magnetizing technique. A number of numerical models developed to analyse the issues related to PFM and optimise the technique are described in detail, including understanding the dynamics of the magnetic flux penetration and the influence of material inhomogeneities, thermal properties, pulse duration, magnitude and shape, and the shape of the magnetization coil(s). The effect of externally applied magnetic fields in different configurations on the attenuation of the trapped field is also discussed. A number of novel and hybrid bulk superconductor structures are described, including improved thermal conductivity structures and ferromagnet–superconductor structures, which have been designed to overcome some of the issues related to bulk superconductors and their magnetization and enhance the intrinsic properties of bulk superconductors acting as trapped field magnets. Finally, the use of hollow bulk cylinders/tubes for shielding is analysed. (topical review)

  18. Modelling of bulk superconductor magnetization

    Science.gov (United States)

    Ainslie, M. D.; Fujishiro, H.

    2015-05-01

    This paper presents a topical review of the current state of the art in modelling the magnetization of bulk superconductors, including both (RE)BCO (where RE = rare earth or Y) and MgB2 materials. Such modelling is a powerful tool to understand the physical mechanisms of their magnetization, to assist in interpretation of experimental results, and to predict the performance of practical bulk superconductor-based devices, which is particularly important as many superconducting applications head towards the commercialization stage of their development in the coming years. In addition to the analytical and numerical techniques currently used by researchers for modelling such materials, the commonly used practical techniques to magnetize bulk superconductors are summarized with a particular focus on pulsed field magnetization (PFM), which is promising as a compact, mobile and relatively inexpensive magnetizing technique. A number of numerical models developed to analyse the issues related to PFM and optimise the technique are described in detail, including understanding the dynamics of the magnetic flux penetration and the influence of material inhomogeneities, thermal properties, pulse duration, magnitude and shape, and the shape of the magnetization coil(s). The effect of externally applied magnetic fields in different configurations on the attenuation of the trapped field is also discussed. A number of novel and hybrid bulk superconductor structures are described, including improved thermal conductivity structures and ferromagnet-superconductor structures, which have been designed to overcome some of the issues related to bulk superconductors and their magnetization and enhance the intrinsic properties of bulk superconductors acting as trapped field magnets. Finally, the use of hollow bulk cylinders/tubes for shielding is analysed.

  19. Structural effects of C60+ bombardment on various natural mineral samples-Application to analysis of organic phases in geological samples

    International Nuclear Information System (INIS)

    Siljestroem, S.; Lausmaa, J.; Hode, T.; Sundin, M.; Sjoevall, P.

    2011-01-01

    Organic phases trapped inside natural mineral samples are of considerable interest in astrobiology, geochemistry and geobiology. Examples of such organic phases are microfossils, kerogen and oil. Information about these phases is usually retrieved through bulk crushing of the rock which means both a risk of contamination and that the composition and spatial distribution of the organics to its host mineral is lost. An attractive of way to retrieve information about the organics in the rock is depth profiling using a focused ion beam. Recently, it was shown that it is possible to obtain detailed mass spectrometric information from oil-bearing fluid inclusions, i.e. small amounts of oil trapped inside a mineral matrix, using ToF-SIMS. Using a 10 keV C 60 + sputter beam and a 25 keV Bi 3 + analysis beam, oil-bearing inclusions in different minerals were opened and analysed individually. However, sputtering with a C 60 + beam also induced other changes to the mineral surface, such as formation of topographic features and carbon deposition. In this paper, the cause of these changes is explored and the consequences of the sputter-induced features on the analysis of organic phases in natural mineral samples (quartz, calcite and fluorite) in general and fluid inclusions in particular are discussed. The dominating topographical features that were observed when a several micrometers deep crater is sputtered with 10 keV C 60 + ions on a natural mineral surface are conical-shaped and ridge-like structures that may rise several micrometers, pointing in the direction of the incident C 60 + ion beam, on an otherwise flat crater bottom. The sputter-induced structures were found to appear at places with different chemistry than the host mineral, including other minerals phases and fluid inclusions, while structural defects in the host material, such as polishing marks or scratches, did not necessarily result in sputter-induced structures. The ridge-like structures were often covered

  20. The Structure of Psychopathology in a Community Sample of Preschoolers

    Science.gov (United States)

    Strickland, Jennifer; Keller, Jennifer; Lavigne, John V.; Gouze, Karen; Hopkins, Joyce; LeBailly, Susan

    2011-01-01

    Despite growing interest in the development of alternative diagnostic classification systems for psychopathology in young children, little is known about the adequacy of the DSM symptom structure for describing psychopathology in this population. This paper examines the fit of the DSM-IV emotional (ED) and disruptive behavior disorder (DD) symptom…

  1. Structural investigations of biogenic iron oxide samples. Preliminary results

    International Nuclear Information System (INIS)

    Balasoiu, M.; Kuklin, A.I.; Orelovich, O.L.; Kovalev, Yu.S.; Arzumanyan, G.M.; Kurkin, T.S.; Stolyar, S.V.; Iskhakov, R.S.; Rajkher, Yu.L.

    2008-01-01

    Some preliminary results on morphology and structure of iron oxide particles formed inside Klebsiella oxytoca bacteria are presented. In particular, by means of optical microscopy, scanning electron microscopy and small-angle X-ray scattering the effect of the bacteria age (the duration of growth) on the nanoparticles properties is studied

  2. Bulk oil clauses

    International Nuclear Information System (INIS)

    Gough, N.

    1993-01-01

    The Institute Bulk Oil Clauses produced by the London market and the American SP-13c Clauses are examined in detail in this article. The duration and perils covered are discussed, and exclusions, adjustment clause 15 of the Institute Bulk Oil Clauses, Institute War Clauses (Cargo), and Institute Strikes Clauses (Bulk Oil) are outlined. (UK)

  3. 19 CFR 149.4 - Bulk and break bulk cargo.

    Science.gov (United States)

    2010-04-01

    ... 19 Customs Duties 2 2010-04-01 2010-04-01 false Bulk and break bulk cargo. 149.4 Section 149.4... TREASURY (CONTINUED) IMPORTER SECURITY FILING § 149.4 Bulk and break bulk cargo. (a) Bulk cargo exempted.... (b) Break bulk cargo exempted from time requirement. For break bulk cargo that is exempt from the...

  4. 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

  5. Creating bulk nanocrystalline metal.

    Energy Technology Data Exchange (ETDEWEB)

    Fredenburg, D. Anthony (Georgia Institute of Technology, Atlanta, GA); Saldana, Christopher J. (Purdue University, West Lafayette, IN); Gill, David D.; Hall, Aaron Christopher; Roemer, Timothy John (Ktech Corporation, Albuquerque, NM); Vogler, Tracy John; Yang, Pin

    2008-10-01

    Nanocrystalline and nanostructured materials offer unique microstructure-dependent properties that are superior to coarse-grained materials. These materials have been shown to have very high hardness, strength, and wear resistance. However, most current methods of producing nanostructured materials in weapons-relevant materials create powdered metal that must be consolidated into bulk form to be useful. Conventional consolidation methods are not appropriate due to the need to maintain the nanocrystalline structure. This research investigated new ways of creating nanocrystalline material, new methods of consolidating nanocrystalline material, and an analysis of these different methods of creation and consolidation to evaluate their applicability to mesoscale weapons applications where part features are often under 100 {micro}m wide and the material's microstructure must be very small to give homogeneous properties across the feature.

  6. Structured estimation - Sample size reduction for adaptive pattern classification

    Science.gov (United States)

    Morgera, S.; Cooper, D. B.

    1977-01-01

    The Gaussian two-category classification problem with known category mean value vectors and identical but unknown category covariance matrices is considered. The weight vector depends on the unknown common covariance matrix, so the procedure is to estimate the covariance matrix in order to obtain an estimate of the optimum weight vector. The measure of performance for the adapted classifier is the output signal-to-interference noise ratio (SIR). A simple approximation for the expected SIR is gained by using the general sample covariance matrix estimator; this performance is both signal and true covariance matrix independent. An approximation is also found for the expected SIR obtained by using a Toeplitz form covariance matrix estimator; this performance is found to be dependent on both the signal and the true covariance matrix.

  7. Sampling

    CERN Document Server

    Thompson, Steven K

    2012-01-01

    Praise for the Second Edition "This book has never had a competitor. It is the only book that takes a broad approach to sampling . . . any good personal statistics library should include a copy of this book." —Technometrics "Well-written . . . an excellent book on an important subject. Highly recommended." —Choice "An ideal reference for scientific researchers and other professionals who use sampling." —Zentralblatt Math Features new developments in the field combined with all aspects of obtaining, interpreting, and using sample data Sampling provides an up-to-date treat

  8. Structuring and sampling complex conformation space: Weighted ensemble dynamics simulations.

    Science.gov (United States)

    Gong, Linchen; Zhou, Xin

    2009-08-01

    Based on multiple simulation trajectories, which started from dispersively selected initial conformations, the weighted ensemble dynamics method is designed to robustly and systematically explore the hierarchical structure of complex conformational space through the spectral analysis of the variance-covariance matrix of trajectory-mapped vectors. The nondegenerate ground state of the matrix directly predicts the ergodicity of simulation data. The ground state could be adopted as statistical weights of trajectories to correctly reconstruct the equilibrium properties, even though each trajectory only explores part of the conformational space. Otherwise, the degree of degeneracy simply gives the number of metastable states of the system under the time scale of individual trajectory. Manipulation on the eigenvectors leads to the classification of trajectories into nontransition ones within the states and transition ones between them. The transition states may also be predicted without a priori knowledge of the system. We demonstrate the application of the general method both to the system with a one-dimensional glassy potential and with the one of alanine dipeptide in explicit solvent.

  9. Electronic structure in the bulk and at the surface of lanthanide materials. A detailed study with X-ray emission and inverse photoemission

    CERN Document Server

    Huebinger, F

    2000-01-01

    LaTe. With measurements of the O3-XE in the Lanthanum-Chalcogenides we could demonstrate the transfer of s-like valence electrons from the Lanthanum atom to the Chalcogen atom. Furthermore, the binding energy of the state at the Lanthanum atom was determined. The surface core-level shift is smaller by 25 % in the Chalcogenides than in La-metal. We also describe a theoretical model, which qualitatively explains the observed larger shifts of the core-level binding energy in PE than in IPE from Lanthan-Chalcogenides. This dissertation is concerned with the occupied and unoccupied electronic structure of lanthanide materials. With surface sensitive electron-excited x-ray emission spectroscopy (XES) we could experimentally determine a surface and bulk partial density of states (p-DOS) for the metals Lanthanum, Lutetium and Samarium. From calculations of the O3-XE transition probability we anticipate a three times higher probability for s-like than for d-like electrons to fill the 5p3/2-hole; this was confirmed exp...

  10. Oxide or carbide nanoparticles synthesized by laser ablation of a bulk Hf target in liquids and their structural, optical, and dielectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Semaltianos, N. G., E-mail: nsemaltianos@yahoo.com [Department of Physics, Aristotle University of Thessaloniki, Thessaloniki 54124 (Greece); Friedt, J.-M.; Blondeau-Patissier, V.; Combe, G. [Dépt. Temps-Fréquence, Femto-st, UMR CNRS 6174, Université de Franche-Comté, Besançon 25030 (France); Chassagnon, R. [Laboratoire Interdisciplinaire Carnot De Bourgogne, ICB UMR CNRS 6303, Université de Bourgogne Franche-Comté, Dijon 21078 (France); Moutarlier, V. [UTINAM, UMR CNRS 6213, Université de Franche-Comté, Besançon 25030 (France); Assoul, M.; Monteil, G. [Dépt. Mécanique Appliquée, Femto-st, UMR CNRS 6174, Université de Franche-Comté, Besançon 25030 (France)

    2016-05-28

    Laser ablation of a bulk Hf target in deionized (DI) water, ethanol, or toluene was carried out for the production of nanoparticles' colloidal solutions. Due to the interaction of the ablation plasma plume species with the species which are produced by the liquid decomposition at the plume-liquid interface, hafnia (HfO{sub 2}) nanoparticles are synthesized in DI water, hafnium carbide (HfC) nanoparticles in toluene, and a mixture of these in ethanol. The hafnia nanoparticles are in the monoclinic low temperature phase and in the tetragonal and fcc high temperature phases. Their size distribution follows log-normal function with a median diameter in the range of 4.3–5.3 nm. Nanoparticles synthesized in DI water have band gaps of 5.6 and 5.4 eV, in ethanol 5.72 and 5.65 eV (using low and high pulse energy), and in toluene 3 eV. The values for the relative permittivity in the range of 7.74–8.90 were measured for hafnia nanoparticles' thin films deposited on substrates by drop-casting (self-assembled layers) in parallel plate capacitor structures.

  11. Correlation between polymer architecture, mesoscale structure and photovoltaic performance in side-chain-modified PAE-PAV:fullerene bulk-heterojunction solar cells

    Science.gov (United States)

    Rathgeber, S.; Kuehnlenz, F.; Hoppe, H.; Egbe, D. A. M.; Tuerk, S.; Perlich, J.; Gehrke, R.

    2012-02-01

    A poly(arylene-ethynylene)-alt-poly(arylene-vinylene) statistical copolymer carrying linear and branched alkoxy side chains along the conjugated backbone in a random manner, yields, compared to its regular substituted counterparts, an improved performance in polymer:fullerene bulk-heterojunction solar cells. Results obtained from GiWAXS experiments show that the improved performance of the statistical copolymer may be attributed to the following structural characteristics: 1) Well, ordered stacked domains that promote backbone planarization and thus improve the ππ-overlap. 2) Partly face-on alignment of domains relative to the electrodes for an improved active layer electrode charge transfer. Branched side chains seem to promote face-on domain orientation. Most likely they can minimize their unfavorable contact with the interface by just bringing the CH3 groups of the branches into direct contact with the surface so that favorable phenylene-substrate interaction can promote face-on orientation. 3) A more isotropic domain orientation throughout the active layer to ensure that the backbone alignment direction has components perpendicular and parallel to the electrodes in order to compromise between light absorption and efficient intra-chain charge transport.

  12. Improving the characterization of fish assemblage structure through the use of multiple sampling methods: a case study in a subtropical tidal flat ecosystem.

    Science.gov (United States)

    Contente, Riguel Feltrin; Del Bianco Rossi-Wongtschowski, Carmen Lucia

    2017-06-01

    The use of multiple sampling gears is indispensible to obtain robust characterizations of fish assemblage structure in species-rich subtropical ecosystems. In this study, such a dependence was demonstrated by characterizing the structure of the high-tide fish assemblage in a subtropical tidal flat ecosystem (the Araçá Bay, southeastern Brazil) using eight different gears along five seasonal surveys and estimating the bay's fish species richness, combining these data with those from local tide pool fish surveys. The high-tide fish assemblage was spatially structured, contained five threatened species, and was dominated by persistent and large populations of Eucinostomus argenteus and of the fisheries species Mugil curema and Diapterus rhombeus that intensively use the bay throughout their life cycles. Large, small-bodied fish populations supported a regular use of the bay by piscivores. The autumn-winter peak in abundance of juvenile fishes caused a subsequent increase in piscivore abundance, and both events explained the bulk of the seasonal variability of the fish assemblage. The estimated richness revealed that the combination of sampling methods was enough for sampling the bulk of the local richness, and the bay may hold a surprisingly high richness compared to other costal ecosystem of the region. This faunal characterization, only viable using multiple gears, will be critical to support the implementation of a future study to monitor the impacts on local fish biodiversity of an imminent port expansion over the tidal flat.

  13. Some remarks on estimating a covariance structure model from a sample correlation matrix

    OpenAIRE

    Maydeu Olivares, Alberto; Hernández Estrada, Adolfo

    2000-01-01

    A popular model in structural equation modeling involves a multivariate normal density with a structured covariance matrix that has been categorized according to a set of thresholds. In this setup one may estimate the covariance structure parameters from the sample tetrachoricl polychoric correlations but only if the covariance structure is scale invariant. Doing so when the covariance structure is not scale invariant results in estimating a more restricted covariance structure than the one i...

  14. Oxidative stability of structured lipids containing C18:0, C18:1, C18:2, C18:3 or CLA in sn 2-position - as bulk lipids and in milk drinks

    DEFF Research Database (Denmark)

    Timm Heinrich, Maike; Nielsen, Nina Skall; Xu, Xuebing

    2004-01-01

    by enzymatic interesterification with caprylic acid. Oxidative stability was compared in the five lipids themselves and in milk drinks containing 5% of the different SL. During storage, samples were taken for chemical and physical analyses. Moreover, sensory assessments were performed on milk drinks....... The oxidative stability of our SL was very different when comparing (a) bulk lipids and milk drink and (b) the five different batches of each product. SL based on oleic acid was the most unstable as bulk lipid, while SL based on linoleic acid was the most unstable in milk drink. SL based on CLA was the second...

  15. Development of disposable bulk-modified screen-printed electrode based on bismuth oxide for stripping chronopotentiometric analysis of lead (II) and cadmium (II) in soil and water samples

    Energy Technology Data Exchange (ETDEWEB)

    Kadara, Rashid O. [Cranfield Health, Cranfield University, Silsoe, Bedfordshire MK45 4DT (United Kingdom); School of Science and Technology, Nottingham Trent University, Clifton Campus, Nottinghamshire NG11 8NS (United Kingdom)], E-mail: kayusee2001@yahoo.co.uk; Tothill, Ibtisam E. [Cranfield Health, Cranfield University, Silsoe, Bedfordshire MK45 4DT (United Kingdom)

    2008-08-08

    A bulk-modified screen-printed carbon electrode characterised for metal ion detection is presented. Bismuth oxide (Bi{sub 2}O{sub 3}) was mixed with graphite-carbon ink to obtain the modified electrode. The best composition was 2% Bi{sub 2}O{sub 3} (wt%) in the graphite-carbon ink. The modified electrode with onboard screen-printed carbon counter and silver-silver chloride pseudo-reference electrodes exhibited good performance in the electrochemical measurement of lead (II) and cadmium (II). The electrode displayed excellent linear behaviour in the concentration range examined (20-300 {mu}g L{sup -1}) with limits of detection of 8 and 16 {mu}g L{sup -1} for both lead (II) and cadmium (II), respectively. The analytical utility of the modified electrode was illustrated by the stripping chronopotentiometric determinations of lead (II) in soil extracts and wastewater samples.

  16. Development of disposable bulk-modified screen-printed electrode based on bismuth oxide for stripping chronopotentiometric analysis of lead (II) and cadmium (II) in soil and water samples

    International Nuclear Information System (INIS)

    Kadara, Rashid O.; Tothill, Ibtisam E.

    2008-01-01

    A bulk-modified screen-printed carbon electrode characterised for metal ion detection is presented. Bismuth oxide (Bi 2 O 3 ) was mixed with graphite-carbon ink to obtain the modified electrode. The best composition was 2% Bi 2 O 3 (wt%) in the graphite-carbon ink. The modified electrode with onboard screen-printed carbon counter and silver-silver chloride pseudo-reference electrodes exhibited good performance in the electrochemical measurement of lead (II) and cadmium (II). The electrode displayed excellent linear behaviour in the concentration range examined (20-300 μg L -1 ) with limits of detection of 8 and 16 μg L -1 for both lead (II) and cadmium (II), respectively. The analytical utility of the modified electrode was illustrated by the stripping chronopotentiometric determinations of lead (II) in soil extracts and wastewater samples

  17. β relaxation and low-temperature aging in a Au-based bulk metallic glass: From elastic properties to atomic-scale structure

    Science.gov (United States)

    Evenson, Z.; Naleway, S. E.; Wei, S.; Gross, O.; Kruzic, J. J.; Gallino, I.; Possart, W.; Stommel, M.; Busch, R.

    2014-05-01

    The slow β relaxation is understood to be a universal feature of glassy dynamics. Its presence in bulk metallic glasses (BMGs) is evidence of a broad relaxation time spectrum that extends to deep within the glassy state. Despite the breadth of research devoted to this phenomenon, its microscopic origin is still not fully understood. The low-temperature aging behavior and atomic structural rearrangements of a Au49Cu26.9Si16.3Ag5.5Pd2.3 BMG are investigated in the regime of the slow β relaxation by employing an ensemble of experimental techniques such as high-intensity synchrotron x-ray scattering, modulated differential scanning calorimetry (MDSC), dynamic mechanical analysis (DMA), impulse excitation, and dilatometry. Evidence of a distinct slow β-relaxation regime is seen in the form of (1) an excess wing of the DMA loss modulus beginning at ˜50 ∘C, (2) a crossover effect of elastic modulus with isothermal aging at 50∘C, and (3) a broad, nonreversing and largely irreversible sub-Tg endotherm in the MDSC results. Atomic rearrangements occurring at the onset of the measured slow β-relaxation temperature regime were found to be confined mainly to the short-range order length scale while no significant atomic rearrangements occur on the length scale of the medium-range order. Furthermore, evidence is presented that suggests the crossover effect in Young's modulus is due to the evolution of chemical short-range order. These results support the emergent picture of a dynamically heterogeneous glassy structure, in which low-temperature relaxation occurs through atomic rearrangements confined mostly to the short-range order length scale.

  18. Soft electronic structure modulation of surface (thin-film) and bulk (ceramics) morphologies of TiO{sub 2}-host by Pb-implantation: XPS-and-DFT characterization

    Energy Technology Data Exchange (ETDEWEB)

    Zatsepin, D.A. [M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620990 Yekaterinburg (Russian Federation); Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation); Boukhvalov, D.W., E-mail: danil@hanyang.ac.kr [Department of Chemistry, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Theoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, 620002 Yekaterinburg (Russian Federation); Gavrilov, N.V. [Institute of Electrophysics, Russian Academy of Sciences, Ural Branch, 620990 Yekaterinburg (Russian Federation); Zatsepin, A.F. [Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation); Shur, V.Ya.; Esin, A.A. [Institute of Natural Sciences, Ural Federal University, 51 Lenin Ave, 620000 Yekaterinburg (Russian Federation); Kim, S.S. [School of Materials Science and Engineering, Inha University, Incheon 402-751 (Korea, Republic of); Kurmaev, E.Z. [M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620990 Yekaterinburg (Russian Federation); Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation)

    2017-04-01

    Highlights: • Experiment and theory demonstrate significant difference between patterns of Pb-ion implantation in TiO{sub 2}. • In bulk TiO{sub 2} Pb-impurities leads formation of PbO phase. • On the surface of TiO{sub 2}:Pb occur formation of PbxOy configurations. • In both bulk and surface TiO{sub 2}:Pb occur decreasing of the bandgap by shift of valence band about 1 eV up. - Abstract: The results of combined experimental and theoretical study of substitutional and clustering effects in the structure of Pb-doped TiO{sub 2}-hosts (bulk ceramics and thin-film morphologies) are presented. Pb-doping of the bulk and thin-film titanium dioxide was made with the help of pulsed ion-implantation without posterior tempering (Electronic Structure Modulation Mode). The X-ray photoelectron spectroscopy (XPS) qualification of core-levels and valence bands and Density-Functional Theory (DFT) calculations were employed in order to study the yielded electronic structure of Pb-ion modulated TiO{sub 2} host-matrices. The combined XPS-and-DFT analysis has agreed definitely with the scenario of the implantation stimulated appearance of PbO-like structures in the bulk morphology of TiO{sub 2}:Pb, whereas in thin-film morphology the PbO{sub 2}-like structure becomes dominating, essentially contributing weak O/Pb bonding (Pb{sub x}O{sub y} defect clusters). The crucial role of the oxygen hollow-type vacancies for the process of Pb-impurity “insertion” into the structure of bulk TiO{sub 2} was pointed out employing DFT-based theoretical background. Both experiment and theory established clearly the final electronic structure re-arrangement of the bulk and thin-film morphologies of TiO{sub 2} because of the Pb-modulated deformation and shift of the initial Valence Base-Band Width about 1 eV up.

  19. Using machine learning to predict soil bulk density on the basis of visual parameters

    NARCIS (Netherlands)

    Bondi, Giulia; Creamer, Rachel; Ferrari, Alessio; Fenton, Owen; Wall, David

    2018-01-01

    Soil structure is a key factor that supports all soil functions. Extracting intact soil cores and horizon specific samples for determination of soil physical parameters (e.g. bulk density (Bd) or particle size distribution) is a common practice for assessing indicators of soil structure. However,

  20. Factorial Structure of the New Ecological Paradigm Scale in Two French Samples

    Science.gov (United States)

    Fleury-Bahi, Ghozlane; Marcouyeux, Aurore; Renard, Elise; Roussiau, Nicolas

    2015-01-01

    The principal objective of this research is to test the factorial structure of the New Ecological Paradigm scale on a population of men and women residing in France. The tested model is a second-order factorial model. This factorial structure is evaluated on two separate samples to test the stability of the solution (a first sample of 253…

  1. Effects of the copper content on the structural and electrical properties of Cu{sub 2}ZnSnSe{sub 4} bulks

    Energy Technology Data Exchange (ETDEWEB)

    Tsega, Moges, E-mail: mogestsega@yahoo.com [Department of Physics, University of the Free State (Qwaqwa Campus), Private Bag X13, Phuthaditjhaba 9866 (South Africa); Department of Physics, Bahir Dar University (Ethiopia); Dejene, F.B.; Koao, L.F. [Department of Physics, University of the Free State (Qwaqwa Campus), Private Bag X13, Phuthaditjhaba 9866 (South Africa)

    2016-01-01

    We have investigated the concept of defect in Cu{sub x}ZnSnSe{sub 4} (x=1.6–2.0) and Cu{sub y}(Zn{sub 0.9}Sn{sub 1.1})Se{sub 4} (y= 1.6–2.0) bulks prepared by liquid-phase sintering at 600 °C for 2 h with soluble sintering aids of Sb{sub 2}S{sub 3} and Te. All samples were found to exhibit p-type semiconductor for Cu{sub x}ZnSnSe{sub 4}, while n-type of behavior obtained at y= 1.8–2.0 for Cu{sub y}(Zn{sub 0.9}Sn{sub 1.1})Se{sub 4} pellets. The Cu vacancy acts as an acceptor point defect to form the p-type semiconductor, and Sn{sup 4+} acts as a donor to form the n-type behavior for the Sn-rich CZTSe. SEM images of pellets show dense surface morphology, and increase in grain size upon Cu inclusion. The largely increased Hall mobility and the slightly changed carrier concentration for Cu{sub y}(Zn{sub 0.9}Sn{sub 1.1})Se{sub 4} with increasing the Cu content is related to the types of its defects. At y=2.0 with carrier concentration of 4.88×10{sup 17} cm{sup −3} showed the highest mobility of around 58 cm{sup 2}/V s. Based upon the proposed point defects, the CZTSe property can be consistently explained.

  2. The Effect of Molecular Structure and Environment on the Miscibility and Diffusivity in Polythiophene-Methanofullerene Bulk Heterojunctions: Theory and Modeling with the RISM Approach

    Directory of Open Access Journals (Sweden)

    Alexander E. Kobryn

    2016-04-01

    Full Text Available Although better means to model the properties of bulk heterojunction molecular blends are much needed in the field of organic optoelectronics, only a small subset of methods based on molecular dynamics- and Monte Carlo-based approaches have been hitherto employed to guide or replace empirical characterization and testing. Here, we present the first use of the integral equation theory of molecular liquids in modelling the structural properties of blends of phenyl-C61-butyric acid methyl ester (PCBM with poly(3-hexylthiophene (P3HT and a carboxylated poly(3-butylthiophene (P3BT, respectively. For this, we use the Reference Interaction Site Model (RISM with the Universal Force Field (UFF to compute the microscopic structure of blends and obtain insight into the miscibility of its components. Input parameters for RISM, such as optimized molecular geometries and charge distribution of interaction sites, are derived by the Density Functional Theory (DFT methods. We also run Molecular Dynamics (MD simulation to compare the diffusivity of the PCBM in binary blends with P3HT and P3BT, respectively. A remarkably good agreement with available experimental data and results of alternative modelling/simulation is observed for PCBM in the P3HT system. We interpret this as a step in the validation of the use of our approach for organic photovoltaics and support of its results for new systems that do not have reference data for comparison or calibration. In particular, for the less-studied P3BT, our results show that expectations about its performance in binary blends with PCBM may be overestimated, as it does not demonstrate the required level of miscibility and short-range structural organization. In addition, the simulated mobility of PCBM in P3BT is somewhat higher than what is expected for polymer blends and falls into a range typical for fluids. The significance of our predictive multi-scale modelling lies in the insights it offers into nanoscale

  3. Plasma spray formed near-net-shape MoSi2-Si3N4 bulk nanocomposites-structure property evaluation

    International Nuclear Information System (INIS)

    Hong, S.J.; Viswanathan, V.; Rea, K.; Patil, S.; Deshpande, S.; Georgieva, P.; McKechnie, T.; Seal, S.

    2005-01-01

    This article, for the first time, presents the challenges toward the successful consolidation of near-net-shape bulk MoSi 2 -Si 3 N 4 -SiC nanocomposite using plasma spray forming. A detailed characterization of the spray formed bulk nanocomponent has been performed using optical microscopy (OM), scanning electron microscopy (SEM), scanning transmission electron microscopy (STEM), and Vickers hardness testing. Vickers hardness (900 Hv) and fracture toughness (∼>5 MPa m 1/2 ) of the nanocomposite showed a little deviation from the expected, which might be due to the difference in the particle (Si 3 N 4 ) size and their distribution in the MoSi 2 matrix as a function of component thickness. Relatively higher hardness is attributed to the retention of the nanostructure in the composite. In addition, the as fabricated bulk nanocomposite showed enhanced oxidation resistance

  4. Assessing Exhaustiveness of Stochastic Sampling for Integrative Modeling of Macromolecular Structures.

    Science.gov (United States)

    Viswanath, Shruthi; Chemmama, Ilan E; Cimermancic, Peter; Sali, Andrej

    2017-12-05

    Modeling of macromolecular structures involves structural sampling guided by a scoring function, resulting in an ensemble of good-scoring models. By necessity, the sampling is often stochastic, and must be exhaustive at a precision sufficient for accurate modeling and assessment of model uncertainty. Therefore, the very first step in analyzing the ensemble is an estimation of the highest precision at which the sampling is exhaustive. Here, we present an objective and automated method for this task. As a proxy for sampling exhaustiveness, we evaluate whether two independently and stochastically generated sets of models are sufficiently similar. The protocol includes testing 1) convergence of the model score, 2) whether model scores for the two samples were drawn from the same parent distribution, 3) whether each structural cluster includes models from each sample proportionally to its size, and 4) whether there is sufficient structural similarity between the two model samples in each cluster. The evaluation also provides the sampling precision, defined as the smallest clustering threshold that satisfies the third, most stringent test. We validate the protocol with the aid of enumerated good-scoring models for five illustrative cases of binary protein complexes. Passing the proposed four tests is necessary, but not sufficient for thorough sampling. The protocol is general in nature and can be applied to the stochastic sampling of any set of models, not just structural models. In addition, the tests can be used to stop stochastic sampling as soon as exhaustiveness at desired precision is reached, thereby improving sampling efficiency; they may also help in selecting a model representation that is sufficiently detailed to be informative, yet also sufficiently coarse for sampling to be exhaustive. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  5. XPS-and-DFT analyses of the Pb 4f — Zn 3s and Pb 5d — O 2s overlapped ambiguity contributions to the final electronic structure of bulk and thin-film Pb-modulated zincite

    Energy Technology Data Exchange (ETDEWEB)

    Zatsepin, D.A. [M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620990 Yekaterinburg (Russian Federation); Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation); Boukhvalov, D.W., E-mail: danil@hanyang.ac.kr [Department of Chemistry, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Theoretical Physics and Applied Mathematics Department, Ural Federal University,Mira Street 19, 620002 Yekaterinburg (Russian Federation); Gavrilov, N.V. [Institute of Electrophysics, Russian Academy of Sciences, Ural Branch, 620990 Yekaterinburg (Russian Federation); Kurmaev, E.Z. [M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620990 Yekaterinburg (Russian Federation); Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation); Zatsepin, A.F. [Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation); Cui, L. [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Shur, V. Ya.; Esin, A.A. [Institute of Natural Sciences, Ural Federal University, 51 Lenin Ave, 620000 Yekaterinburg (Russian Federation)

    2017-05-31

    Highlights: • Two modes of ZnO:Pb in the bulk and surface morphologies were established: the high- and low-interaction. • It was shown the ambiguity contribution of Pb 4f − Zn 3s and Pb 5d − O 2s states into final electronic structure. • The main type of defects is PbO-like with some PbO{sub 2}-like contributions. • An applied wurzite-like structural model well agrees with experimental data obtained for zincite. - Abstract: The electronic structures of zincite Pb-modulated bulk and thin-films were studied via X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) techniques. Both XPS data and DFT-calculations allowed the derivation of two different Pb-embedding scenarios into the ZnO-hosts. These included the high-interaction mode of Pb-impurity with initial zinc-oxygen host-lattice for the bulk morphology, accompanied with low Pb-metal losses; and the low-interaction mode for thin-films, where there was intake of Pb-impurities into the hollows of the surface. Despite dissimilar mechanisms of Pb-impurity accumulation and distribution in the bulk and thin-films zincite host-matrices, the strong Pb 4f — Zn 3s and Pb 5d — O 2s overlapped ambiguity contribution to the appropriate core-level structure and valence bands was established by XPS analysis and reproduced with the help of DFT-calculations. It was shown that the microscopic structure of the embedded lead-impurity played a crucial role in the Pb ion-beam stimulated synthesis of secondary lead-oxygen phases via large-area defect fabrication, and the difference among zincite and wurzite polymorphs played almost no role in this case.

  6. Structural Properties of Bulk and Aqueous Systems of PEO-PIB-PEO Triblock Copolymers as Studied by Small-Angle Neutron Scattering and Cryo-Transmission Electron Microscopy

    DEFF Research Database (Denmark)

    Mortensen, Kell; Talmon, Yeshayahu; Gao, Bo

    1997-01-01

    The phase behavior of a low molecular weight (M-w = 6000) symmetric triblock copolymer of poly(ethylene oxide) and poly(isobutylene), PEO-PIB-PEO, in the bulk as well in aqueous, D2O, solutions has been studied using small-angle neutron scattering and cryo-transmission electron microscopy...

  7. 19 CFR 151.24 - Unlading facilities for bulk sugar.

    Science.gov (United States)

    2010-04-01

    ... 19 Customs Duties 2 2010-04-01 2010-04-01 false Unlading facilities for bulk sugar. 151.24 Section... OF THE TREASURY (CONTINUED) EXAMINATION, SAMPLING, AND TESTING OF MERCHANDISE Sugars, Sirups, and Molasses § 151.24 Unlading facilities for bulk sugar. When dutiable sugar is to be imported in bulk, a full...

  8. A data structure for describing sampling designs to aid in compilation of stand attributes

    Science.gov (United States)

    John C. Byrne; Albert R. Stage

    1988-01-01

    Maintaining permanent plot data with different sampling designs over long periods within an organization, and sharing such information between organizations, requires that common standards be used. A data structure for the description of the sampling design within a stand is proposed. It is composed of just those variables and their relationships needed to compile...

  9. Coulombic Fluids Bulk and Interfaces

    CERN Document Server

    Freyland, Werner

    2011-01-01

    Ionic liquids have attracted considerable interest in recent years. In this book the bulk and interfacial physico-chemical characteristics of various fluid systems dominated by Coulomb interactions are treated which includes molten salts, ionic liquids as well as metal-molten salt mixtures and expanded fluid metals. Of particular interest is the comparison of the different systems. Topics in the bulk phase concern the microscopic structure, the phase behaviour and critical phenomena, and the metal-nonmetal transition. Interfacial phenomena include wetting transitions, electrowetting, surface freezing, and the electrified ionic liquid/ electrode interface. With regard to the latter 2D and 3D electrochemical phase formation of metals and semi-conductors on the nanometer scale is described for a number of selected examples. The basic concepts and various experimental methods are introduced making the book suitable for both graduate students and researchers interested in Coulombic fluids.

  10. Factor Structure of the New Imaginary Audience Scale in a Sample of Female College Students

    Science.gov (United States)

    Kuterbach, James M.

    2007-01-01

    The New Imaginary Audience Scale (NIAS; Lapsley, FitzGerald, Rice, & Jackson, 1989) has been used as a research tool with both high school and college aged samples, yet there is no structural validity evidence for its use with college students. This study examined the structural validity of the NIAS via an exploratory factor analysis, using a…

  11. Factor Structure of the Strengths and Difficulties Questionnaire in a Canadian Elementary School Sample

    Science.gov (United States)

    Aitken, Madison; Martinussen, Rhonda; Wolfe, Richard G.; Tannock, Rosemary

    2015-01-01

    The Strengths and Difficulties Questionnaire (SDQ) is a 25-item screening measure for emotional and behavioral problems in children and adolescents aged 4 to 16. Structural equation modeling was used to test the five-factor structure of teacher and parent ratings on the British version of the SDQ in a community sample of 501 Canadian children aged…

  12. Structural validation of the Self-Compassion Scale with a German general population sample

    NARCIS (Netherlands)

    Coroiu, A.; Kwakkenbos, C.M.C.; Moran, C.; Thombs, B.D.; Albani, C.; Bourkas, S.; Zenger, M.; Brahler, E.; Körner, A.

    2018-01-01

    Background: Published validation studies have reported different factor structures for the Self-Compassion Scale (SCS). The objective of this study was to assess the factor structure of the SCS in a large general population sample representative of the German population. Methods: A German population

  13. Two-dimensional structure and kinematics of a representative sample of low-z ULIRGs

    International Nuclear Information System (INIS)

    Garcia-Marin, M; Colina, L; Arribas, S

    2008-01-01

    We present the optical INTEGRAL integral field spectroscopy data and Hubble Space Telescope archive images obtained for a representative sample of 22 local Ultraluminous Infrared Galaxies (ULIRGs L IR >10 12 L o-dot ). The sample has been designed for fulfilling a program aimed at studying the internal structure and kinematics of this type of galaxies. Taking advantage of the two-dimensional nature of the data, we study the structure of the stellar and ionized gas, the internal ionization state and the gas kinematics. In this contribution we present the sample and the most important results obtained so far.

  14. The Importance of Pressure Sampling Frequency in Models for Determination of Critical Wave Loadingson Monolithic Structures

    DEFF Research Database (Denmark)

    Burcharth, Hans F.; Andersen, Thomas Lykke; Meinert, Palle

    2008-01-01

    This paper discusses the influence of wave load sampling frequency on calculated sliding distance in an overall stability analysis of a monolithic caisson. It is demonstrated by a specific example of caisson design that for this kind of analyses the sampling frequency in a small scale model could...... be as low as 100 Hz in model scale. However, for design of structure elements like the wave wall on the top of a caisson the wave load sampling frequency must be much higher, in the order of 1000 Hz in the model. Elastic-plastic deformations of foundation and structure were not included in the analysis....

  15. Conformational Sampling in Template-Free Protein Loop Structure Modeling: An Overview

    Directory of Open Access Journals (Sweden)

    Yaohang Li

    2013-02-01

    Full Text Available Accurately modeling protein loops is an important step to predict three-dimensional structures as well as to understand functions of many proteins. Because of their high flexibility, modeling the three-dimensional structures of loops is difficult and is usually treated as a “mini protein folding problem” under geometric constraints. In the past decade, there has been remarkable progress in template-free loop structure modeling due to advances of computational methods as well as stably increasing number of known structures available in PDB. This mini review provides an overview on the recent computational approaches for loop structure modeling. In particular, we focus on the approaches of sampling loop conformation space, which is a critical step to obtain high resolution models in template-free methods. We review the potential energy functions for loop modeling, loop buildup mechanisms to satisfy geometric constraints, and loop conformation sampling algorithms. The recent loop modeling results are also summarized.

  16. CONFORMATIONAL SAMPLING IN TEMPLATE-FREE PROTEIN LOOP STRUCTURE MODELING: AN OVERVIEW

    Directory of Open Access Journals (Sweden)

    Yaohang Li

    2013-02-01

    Full Text Available Accurately modeling protein loops is an important step to predict three-dimensional structures as well as to understand functions of many proteins. Because of their high flexibility, modeling the three-dimensional structures of loops is difficult and is usually treated as a “mini protein folding problem” under geometric constraints. In the past decade, there has been remarkable progress in template-free loop structure modeling due to advances of computational methods as well as stably increasing number of known structures available in PDB. This mini review provides an overview on the recent computational approaches for loop structure modeling. In particular, we focus on the approaches of sampling loop conformation space, which is a critical step to obtain high resolution models in template-free methods. We review the potential energy functions for loop modeling, loop buildup mechanisms to satisfy geometric constraints, and loop conformation sampling algorithms. The recent loop modeling results are also summarized.

  17. Conformational sampling in template-free protein loop structure modeling: an overview.

    Science.gov (United States)

    Li, Yaohang

    2013-01-01

    Accurately modeling protein loops is an important step to predict three-dimensional structures as well as to understand functions of many proteins. Because of their high flexibility, modeling the three-dimensional structures of loops is difficult and is usually treated as a "mini protein folding problem" under geometric constraints. In the past decade, there has been remarkable progress in template-free loop structure modeling due to advances of computational methods as well as stably increasing number of known structures available in PDB. This mini review provides an overview on the recent computational approaches for loop structure modeling. In particular, we focus on the approaches of sampling loop conformation space, which is a critical step to obtain high resolution models in template-free methods. We review the potential energy functions for loop modeling, loop buildup mechanisms to satisfy geometric constraints, and loop conformation sampling algorithms. The recent loop modeling results are also summarized.

  18. On solid bulk liquefaction

    OpenAIRE

    Fkhir, Moustafa

    2016-01-01

    Solid bulk cargoes, such as nickel ore and iron ore, have a tendency to liquefy. Such goods can transform from hard to liquid state very rapidly leaving no time for the master or crew to do anything but face their imminent fate. The liquefaction of solid bulk cargoes has claimed many seafarers’ lives and dozens of ships. The moisture content present in these cargoes can be dramatically increased to unsafe limits by the mere reason of the vessel’s rolling on waves. In response to the alarming ...

  19. The Factor Structure of the Schizotypal Personality Questionnaire in Undergraduate and Community Samples.

    Science.gov (United States)

    Zhang, Lisa C; Brenner, Colleen A

    2017-02-01

    The prevailing theoretical model of the Schizotypal Personality Questionnaire (SPQ) is a three-factor model based on subscale-level analyses. However, recent item-level factor analyses of the SPQ suggest a four- or five-factor model. To examine the factor structure of the SPQ and how this structure may differ between undergraduate and community samples, the authors conducted exploratory and confirmatory item-level factor analyses of this measure on undergraduate (N = 1,850) and community participants (N = 1,464). A clear three-factor solution was found in the community sample, whereas a somewhat equivocal four-factor solution was found in the undergraduate sample. Both structures displayed gender invariance. This is the first study to address the issues of undergraduate sample generalizability and gender invariance in an item-level exploratory factor analysis of the SPQ. Given the disparate findings in the samples, this study indicates the importance of using both community and undergraduate samples when examining the factor structure of the SPQ.

  20. Factor structure of Eating Disorders Inventory-2 in a Spanish sample.

    Science.gov (United States)

    Muro-Sans, P; Amador-Campos, J A; Peró-Cebollero, M

    2006-06-01

    To present basic statistics and analyze factor structure of EDI-2 in an adolescent non-clinical sample from Spain. An Exploratory Factor Analysis (EFA) was carried out with Principal Axis Factoring (PAF) and oblimin rotation, using raw scores. EFA presented a 21-factor structure with eigenvalues greater than 1. It was then forced into 11 and 5-factor solutions. The eleven-factor structure does not correspond with the 11 scales. A five-factor structure seems to be better suited than other factor solutions and presented higher reliability coefficients.

  1. Isotopic signatures by bulk analyses

    International Nuclear Information System (INIS)

    Efurd, D.W.; Rokop, D.J.

    1997-01-01

    Los Alamos National Laboratory has developed a series of measurement techniques for identification of nuclear signatures by analyzing bulk samples. Two specific applications for isotopic fingerprinting to identify the origin of anthropogenic radioactivity in bulk samples are presented. The first example is the analyses of environmental samples collected in the US Arctic to determine the impact of dumping of radionuclides in this polar region. Analyses of sediment and biota samples indicate that for the areas sampled the anthropogenic radionuclide content of sediments was predominantly the result of the deposition of global fallout. The anthropogenic radionuclide concentrations in fish, birds and mammals were very low. It can be surmised that marine food chains are presently not significantly affected. The second example is isotopic fingerprinting of water and sediment samples from the Rocky Flats Facility (RFP). The largest source of anthropogenic radioactivity presently affecting surface-waters at RFP is the sediments that are currently residing in the holding ponds. One gram of sediment from a holding pond contains approximately 50 times more plutonium than 1 liter of water from the pond. Essentially 100% of the uranium in Ponds A-1 and A-2 originated as depleted uranium. The largest source of radioactivity in the terminal Ponds A-4, B-5 and C-2 was naturally occurring uranium and its decay product radium. The uranium concentrations in the waters collected from the terminal ponds contained 0.05% or less of the interim standard calculated derived concentration guide for uranium in waters available to the public. All of the radioactivity observed in soil, sediment and water samples collected at RFP was naturally occurring, the result of processes at RFP or the result of global fallout. No extraneous anthropogenic alpha, beta or gamma activities were detected. The plutonium concentrations in Pond C-2 appear to vary seasonally

  2. A framework for direct locating and conformational sampling of protein structural motifs.

    Science.gov (United States)

    Yu, Jianyong; Xiang, Leijun; Zhang, Weidong

    2011-05-01

    A specific treatment of recurrent structural motifs that represent the local bias information has been proven to be an important ingredient in de novo protein structure predication. Significant majority of methods for local structure are based on building blocks, which still suffer from its inherent discrete nature. Instead of using building blocks, this work presents a new protocol framework for local structural motifs prediction based on the direct locating along protein sequence and probabilistic sampling in a continuous (φ, ψ) space. The protein sequence was first scanned by an algorithm of sliding window with variable length of 7 to 19 residues, to match local segments to one of 82 motifs patterns in the fragment library. Identified segments were then labeled and modeled as the correlations of backbone torsion angles with mixture of bivariate cosine distributions in continuous (φ, ψ) space. 3D conformations of corresponding segments were finally sampled by using a backtrack algorithm to the hidden Markov model with single output of (φ, ψ). For local motifs in 50 proteins of testing set, about 62% of eight-residue segments located with high confidence value were predicted within 1.5 Å of their native structures by the method. Majority of local structural motifs were identified and sampled, which indicates the proposed protocol may at least serve as the foundation to obtain better protein tertiary structure prediction.

  3. Membrane biofouling characterization: effects of sample preparation procedures on biofilm structure and the microbial community

    KAUST Repository

    Xue, Zheng

    2014-07-15

    Ensuring the quality and reproducibility of results from biofilm structure and microbial community analysis is essential to membrane biofouling studies. This study evaluated the impacts of three sample preparation factors (ie number of buffer rinses, storage time at 4°C, and DNA extraction method) on the downstream analysis of nitrifying biofilms grown on ultrafiltration membranes. Both rinse and storage affected biofilm structure, as suggested by their strong correlation with total biovolume, biofilm thickness, roughness and the spatial distribution of EPS. Significant variations in DNA yields and microbial community diversity were also observed among samples treated by different rinses, storage and DNA extraction methods. For the tested biofilms, two rinses, no storage and DNA extraction with both mechanical and chemical cell lysis from attached biofilm were the optimal sample preparation procedures for obtaining accurate information about biofilm structure, EPS distribution and the microbial community. © 2014 © 2014 Taylor & Francis.

  4. Study on sampled waveguide grating with anti-symmetric periodic structure.

    Science.gov (United States)

    Hao, Lijun; Shi, Yuechun; Xiao, Rulei; Qian, Yajuan; Chen, Xiangfei

    2015-06-15

    An anti-symmetrically sampled Bragg grating (ASBG) with single mode waveguide is proposed and investigated for the first time. Based on anti-symmetric periodic structure, the coupling coefficient between the forward and backward guided modes becomes zero, thus nearly no light is reflected. Besides, the equivalent tilted grating effect with radiation mode coupling is found. If another anti-symmetrically sampling structure is imposed to form a sampled grating, the 0th sub-grating can be avoided, while the ± 1st sub-gratings are adjusted as uniform gratings with normal performances. This will be very benefit for some special applications such as distributed feedback (DFB) lasers based on Reconstruction-equivalent-chirp (REC) technique where 0th order resonance can be avoided. In addition, error analysis for the proposed structure is also performed for practical applications.

  5. Structured oblique illumination microscopy for enhanced resolution imaging of non-fluorescent, coherently scattering samples.

    Science.gov (United States)

    Chowdhury, Shwetadwip; Dhalla, Al-Hafeez; Izatt, Joseph

    2012-08-01

    Many biological structures of interest are beyond the diffraction limit of conventional microscopes and their visualization requires application of super-resolution techniques. Such techniques have found remarkable success in surpassing the diffraction limit to achieve sub-diffraction limited resolution; however, they are predominantly limited to fluorescent samples. Here, we introduce a non-fluorescent analogue to structured illumination microscopy, termed structured oblique illumination microscopy (SOIM), where we use simultaneous oblique illuminations of the sample to multiplex high spatial-frequency content into the frequency support of the system. We introduce a theoretical framework describing how to demodulate this multiplexed information to reconstruct an image with a spatial-frequency support exceeding that of the system's classical diffraction limit. This approach allows enhanced-resolution imaging of non-fluorescent samples. Experimental confirmation of the approach is obtained in a reflection test target with moderate numerical aperture.

  6. Effect of shock pressure on the structure and superconducting properties of Y-Ba-Cu-O in explosively fabricated bulk metal-matrix composites

    Science.gov (United States)

    Murr, L. E.; Niou, C. S.; Pradhan-Advani, M.

    1991-01-01

    While it is now well established that copper-oxide-based power, or virtually any other ceramic superconductor powder, can be consolidated and encapsulated within a metal matrix by explosive consolidation, the erratic superconductivity following fabrication has posed a major problem for bulk applications. The nature of this behavior was found to arise from microstructural damage created in the shock wave front, and the residual degradation in superconductivity was demonstrated to be directly related to the peak shock pressure. The explosively fabricated or shock loaded YBa2Cu3Ox examples exhibit drastically altered rho (or R) - T curves. The deterioration in superconductivity is even more noticeable in the measurement of ac magnetic susceptibility and flux exclusion or shielding fraction which is also reduced in proportion to increasing peak shock pressure. The high frequency surface resistance (in the GHz range) is also correspondingly compromised in explosively fabricated, bulk metal-matrix composites based on YBa2Cu3O7. Transmission electron microscopy (including lattice imaging techniques) is being applied in an effort to elucidate the fundamental (microstructural) nature of the shock-induced degradation of superconductivity and normal state conductivity. One focus of TEM observations has assumed that oxygen displaced from b-chains rather than oxygen-vacancy disorder in the basal plane of oxygen deficient YBa2Cu3Ox may be a prime mechanism. Shock-wave displaced oxygen may also be locked into new positions or interstitial clusters or chemically bound to displaced metal (possibly copper) atoms to form precipitates, or such displacements may cause the equivalent of local lattice cell changes as a result of stoichiometric changes. While the shock-induced suppression of T(sub c) is not desirable in the explosive fabrication of bulk metal-matrix superconductors, it may be turned into an advantage if the atomic-scale distortion can be understood and controlled as local

  7. "Understanding" cosmological bulk viscosity

    OpenAIRE

    Zimdahl, Winfried

    1996-01-01

    A universe consisting of two interacting perfect fluids with the same 4-velocity is considered. A heuristic mean free time argument is used to show that the system as a whole cannot be perfect as well but neccessarily implies a nonvanishing bulk viscosity. A new formula for the latter is derived and compared with corresponding results of radiative hydrodynamics.

  8. GARN: Sampling RNA 3D Structure Space with Game Theory and Knowledge-Based Scoring Strategies.

    Science.gov (United States)

    Boudard, Mélanie; Bernauer, Julie; Barth, Dominique; Cohen, Johanne; Denise, Alain

    2015-01-01

    Cellular processes involve large numbers of RNA molecules. The functions of these RNA molecules and their binding to molecular machines are highly dependent on their 3D structures. One of the key challenges in RNA structure prediction and modeling is predicting the spatial arrangement of the various structural elements of RNA. As RNA folding is generally hierarchical, methods involving coarse-grained models hold great promise for this purpose. We present here a novel coarse-grained method for sampling, based on game theory and knowledge-based potentials. This strategy, GARN (Game Algorithm for RNa sampling), is often much faster than previously described techniques and generates large sets of solutions closely resembling the native structure. GARN is thus a suitable starting point for the molecular modeling of large RNAs, particularly those with experimental constraints. GARN is available from: http://garn.lri.fr/.

  9. Reliability and Hierarchical Structure of DSM-5 Pathological Traits in a Danish Mixed Sample

    DEFF Research Database (Denmark)

    Bo, Sune; Bach, Bo; Mortensen, Erik Lykke

    2016-01-01

    In this study we assessed the DSM-5 trait model in a large Danish sample (n = 1,119) with respect to reliability of the applied Danish version of the Personality Inventory for DSM-5 (PID-5) self-report form by means of internal consistency and item discrimination. In addition, we tested whether...... the five-factor structure of the DSM-5 trait model can be replicated in a Danish independent sample using the PID-5 self-report form. Finally, we examined the hierarchical structure of DSM-5 traits. In terms of internal consistency and item discrimination, the applied PID-5 scales were generally found...... reliable and functional; our data resembled the five-factor structure of previous findings, and we identified a hierarchical structure from one to five factors that was conceptually reasonable and corresponded with existing findings. These results support the new DSM-5 trait model and suggest that it can...

  10. Contrasting the microbiomes from forest rhizosphere and deeper bulk soil from an Amazon rainforest reserve.

    Science.gov (United States)

    Fonseca, Jose Pedro; Hoffmann, Luisa; Cabral, Bianca Catarina Azeredo; Dias, Victor Hugo Giordano; Miranda, Marcio Rodrigues; de Azevedo Martins, Allan Cezar; Boschiero, Clarissa; Bastos, Wanderley Rodrigues; Silva, Rosane

    2018-02-05

    Pristine forest ecosystems provide a unique perspective for the study of plant-associated microbiota since they host a great microbial diversity. Although the Amazon forest is one of the hotspots of biodiversity around the world, few metagenomic studies described its microbial community diversity thus far. Understanding the environmental factors that can cause shifts in microbial profiles is key to improving soil health and biogeochemical cycles. Here we report a taxonomic and functional characterization of the microbiome from the rhizosphere of Brosimum guianense (Snakewood), a native tree, and bulk soil samples from a pristine Brazilian Amazon forest reserve (Cuniã), for the first time by the shotgun approach. We identified several fungi and bacteria taxon significantly enriched in forest rhizosphere compared to bulk soil samples. For archaea, the trend was the opposite, with many archaeal phylum and families being considerably more enriched in bulk soil compared to forest rhizosphere. Several fungal and bacterial decomposers like Postia placenta and Catenulispora acidiphila which help maintain healthy forest ecosystems were found enriched in our samples. Other bacterial species involved in nitrogen (Nitrobacter hamburgensis and Rhodopseudomonas palustris) and carbon cycling (Oligotropha carboxidovorans) were overrepresented in our samples indicating the importance of these metabolic pathways for the Amazon rainforest reserve soil health. Hierarchical clustering based on taxonomic similar microbial profiles grouped the forest rhizosphere samples in a distinct clade separated from bulk soil samples. Principal coordinate analysis of our samples with publicly available metagenomes from the Amazon region showed grouping into specific rhizosphere and bulk soil clusters, further indicating distinct microbial community profiles. In this work, we reported significant shifts in microbial community structure between forest rhizosphere and bulk soil samples from an Amazon

  11. Effects of local structure on helium bubble growth in bulk and at grain boundaries of bcc iron: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Li [Univ. of Electronic Science and Technology of China, Chengdu (China); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gao, Fei [Univ. of Michigan, Ann Arbor, MI (United States); Kurtz, Richard J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Zu, Xiaotao [Univ. of Electronic Science and Technology of China, Chengdu (China); Peng, S. M. [China Academy of Engineering Physics, Mianyang (China); Long, X. G. [China Academy of Engineering Physics, Mianyang (China); Zhou, X. S. [China Academy of Engineering Physics, Mianyang (China)

    2015-07-15

    The nucleation and growth of helium (He) bubbles in the bulk and at Σ3 <110> {112} and Σ73b <110> {661} grain boundaries (GBs) in bcc iron have been investigated using molecular dynamics simulations. The results show that a 1/2 <111> {111} dislocation loop is formed with the sequential collection of <111> interstitial crowdions at the periphery of the He cluster and is eventually emitted from the He cluster. Insertion of 45 He atoms into a He cluster leads to the formation of a 1/2 <111> dislocation loop in Σ3 GB. It is of interest to notice that the transition of a dislocation segment through the GB leads to the formation of a step at the GB plane following the loop formation, accounting for the formation of a residual GB defect. A 1/2 <111> loop, with a {110} habit plane, is emitted with further increase of the He bubble size in the Σ3 GB. In contrast, the sequential insertion of He atoms in Σ73b GB continuously emits self-interstitial atoms (SIAs), but these SIAs rearrange at the core of the inherent GB dislocation, instead of forming a dislocation loop, which leads the GB dislocation to propagate along the [1¯1¯ 1 2] direction. In the bulk and Σ3 GB, the He bubble exhibits three-dimensionally spherical shape, but it forms longitudinal shape along the dislocation line in the Σ73 GB, a shape commonly observed at GBs in experiments.

  12. Daily temporal structure in African savanna flower visitation networks and consequences for network sampling.

    Science.gov (United States)

    Baldock, Katherine C R; Memmott, Jane; Ruiz-Guajardo, Juan Carlos; Roze, Denis; Stone, Graham N

    2011-03-01

    Ecological interaction networks are a valuable approach to understanding plant-pollinator interactions at the community level. Highly structured daily activity patterns are a feature of the biology of many flower visitors, particularly provisioning female bees, which often visit different floral sources at different times. Such temporal structure implies that presence/absence and relative abundance of specific flower-visitor interactions (links) in interaction networks may be highly sensitive to the daily timing of data collection. Further, relative timing of interactions is central to their possible role in competition or facilitation of seed set among coflowering plants sharing pollinators. To date, however, no study has examined the network impacts of daily temporal variation in visitor activity at a community scale. Here we use temporally structured sampling to examine the consequences of daily activity patterns upon network properties using fully quantified flower-visitor interaction data for a Kenyan savanna habitat. Interactions were sampled at four sequential three-hour time intervals between 06:00 and 18:00, across multiple seasonal time points for two sampling sites. In all data sets the richness and relative abundance of links depended critically on when during the day visitation was observed. Permutation-based null modeling revealed significant temporal structure across daily time intervals at three of the four seasonal time points, driven primarily by patterns in bee activity. This sensitivity of network structure shows the need to consider daily time in network sampling design, both to maximize the probability of sampling links relevant to plant reproductive success and to facilitate appropriate interpretation of interspecific relationships. Our data also suggest that daily structuring at a community level could reduce indirect competitive interactions when coflowering plants share pollinators, as is commonly observed during flowering in highly

  13. Continuous quality control of the blood sampling procedure using a structured observation scheme

    DEFF Research Database (Denmark)

    Seemann, T. L.; Nybo, M.

    2015-01-01

    Background: An important preanalytical factor is the blood sampling procedure and its adherence to the guidelines, i.e. CLSI and ISO 15189, in order to ensure a consistent quality of the blood collection. Therefore, it is critically important to introduce quality control on this part of the process....... As suggested by the EFLM working group on the preanalytical phase we introduced continuous quality control of the blood sampling procedure using a structured observation scheme to monitor the quality of blood sampling performed on an everyday basis. Materials and methods: Based on our own routines the EFLM....... Conclusion: It is possible to establish a continuous quality control on blood sampling. It has been well accepted by the staff and we have already been able to identify critical areas in the sampling process. We find that continuous auditing increase focus on the quality of blood collection which ensures...

  14. Influence of molecular weight on the phase behavior and structure formation of branched side-chain hairy-rod polyfluorene in bulk phase.

    Science.gov (United States)

    Knaapila, M; Stepanyan, R; Torkkeli, M; Lyons, B P; Ikonen, T P; Almásy, L; Foreman, J P; Serimaa, R; Güntner, R; Scherf, U; Monkman, A P

    2005-04-01

    We report on an experimental study of the self-organization and phase behavior of hairy-rod pi -conjugated branched side-chain polyfluorene, poly[9,9-bis(2-ethylhexyl)-fluorene-2,7-diyl]-i.e., poly[2,7-(9,9-bis(2-ethylhexyl)fluorene] (PF2/6) -as a function of molecular weight (M(n)) . The results have been compared to those of phenomenological theory. Samples for which M(n) =3-147 kg/mol were used. First, the stiffness of PF2/6 , the assumption of the theory, has been probed by small-angle neutron scattering in solution. Thermogravimetry has been used to show that PF2/6 is thermally stable over the conditions studied. Second, the existence of nematic and hexagonal phases has been phenomenologically identified for lower and higher M(n) (LMW, M(n) M(*)(n) ) regimes, respectively, based on free-energy argument of nematic and hexagonal hairy rods and found to correspond to the experimental x-ray diffraction (XRD) results for PF2/6 . By using the lattice parameters of PF2/6 as an experimental input, the nematic-hexagonal transition has been predicted in the vicinity of glassification temperature (T(g)) of PF2/6 . Then, by taking the orientation parts of the free energies into account the nematic-hexagonal transition has been calculated as a function of temperature and M(n) and a phase diagram has been formed. Below T(g) of 80 degrees C only (frozen) nematic phase is observed for M(n) M(*)(n) . The nematic-hexagonal transition upon heating is observed for the HMW regime depending weakly on M(n) , being at 140-165 degrees C for M(n) > M(*)(n). Third, the phase behavior and structure formation as a function of M(n) have been probed using powder and fiber XRD and differential scanning calorimetry and reasonable semiquantitative agreement with theory has been found for M(n) >or=3 kg/mol. Fourth, structural characteristics are widely discussed. The nematic phase of LMW materials has been observed to be denser than high-temperature nematic phase of HMW compounds. The hexagonal

  15. Structural Properties as Proxy for Semantic Relevance in RDF Graph Sampling

    NARCIS (Netherlands)

    Rietveld, L.; Hoekstra, R.; Schlobach, S.; Guéret, C.; Mika, P.; Tudorache, T.; Bernstein, A.; Welty, C.; Knoblock, C.; Vrandečić, D.; Groth, P.; Noy, N.; Janowicz, K.; Goble, C.

    2014-01-01

    The Linked Data cloud has grown to become the largest knowledge base ever constructed. Its size is now turning into a major bottleneck for many applications. In order to facilitate access to this structured information, this paper proposes an automatic sampling method targeted at maximizing answer

  16. Structural evaluation for the core sampling trucks, RMCS operations, 200 Area

    International Nuclear Information System (INIS)

    Islam, M.A.

    1996-01-01

    This report evaluates the structural adequacy and the integrity of the existing core sampling trucks to withstand impact should the trucks drop off the ramp, either onto the soft ground or onto a non-yielding surface due to operational error, wind, or earthquake. The report also addresses if the allowable tank dome load will be exceeded by the addition of the impact load

  17. Effects of Sample Size, Estimation Methods, and Model Specification on Structural Equation Modeling Fit Indexes.

    Science.gov (United States)

    Fan, Xitao; Wang, Lin; Thompson, Bruce

    1999-01-01

    A Monte Carlo simulation study investigated the effects on 10 structural equation modeling fit indexes of sample size, estimation method, and model specification. Some fit indexes did not appear to be comparable, and it was apparent that estimation method strongly influenced almost all fit indexes examined, especially for misspecified models. (SLD)

  18. Eating disorder examination: Factor structure and norms in a clinical female pediatric eating disorder sample.

    Science.gov (United States)

    O'Brien, Amy; Watson, Hunna J; Hoiles, Kimberley J; Egan, Sarah J; Anderson, Rebecca A; Hamilton, Matthew J; Shu, Chloe; McCormack, Julie

    2016-01-01

    The factor structure of the eating disorder examination (EDE) has never been tested in a clinical pediatric sample, and no normative data exist. The factor structure of an adapted EDE was examined in a clinical sample of 665 females aged 9-17 years with anorexia nervosa spectrum (70%), bulimia nervosa spectrum (12%), purging disorder (3%), and unspecified feeding and eating disorders (15%). The original four-factor model was a good fit in a confirmatory factor analysis as well a higher order model with three dimensions of restraint, eating concern, and combined weight concern/shape concern. Normative data are reported for clinicians to identify the percentiles in which their patients' score. The findings support dimensions of restraint, eating concern, weight concern, and shape concern in a clinical pediatric sample. This supports the factorial validity of the EDE, and the norms may assist clinicians to evaluate symptoms in females under 18 years. © 2015 Wiley Periodicals, Inc.

  19. Sampling multiple scoring functions can improve protein loop structure prediction accuracy.

    Science.gov (United States)

    Li, Yaohang; Rata, Ionel; Jakobsson, Eric

    2011-07-25

    Accurately predicting loop structures is important for understanding functions of many proteins. In order to obtain loop models with high accuracy, efficiently sampling the loop conformation space to discover reasonable structures is a critical step. In loop conformation sampling, coarse-grain energy (scoring) functions coupling with reduced protein representations are often used to reduce the number of degrees of freedom as well as sampling computational time. However, due to implicitly considering many factors by reduced representations, the coarse-grain scoring functions may have potential insensitivity and inaccuracy, which can mislead the sampling process and consequently ignore important loop conformations. In this paper, we present a new computational sampling approach to obtain reasonable loop backbone models, so-called the Pareto optimal sampling (POS) method. The rationale of the POS method is to sample the function space of multiple, carefully selected scoring functions to discover an ensemble of diversified structures yielding Pareto optimality to all sampled conformations. The POS method can efficiently tolerate insensitivity and inaccuracy in individual scoring functions and thereby lead to significant accuracy improvement in loop structure prediction. We apply the POS method to a set of 4-12-residue loop targets using a function space composed of backbone-only Rosetta and distance-scale finite ideal-gas reference (DFIRE) and a triplet backbone dihedral potential developed in our lab. Our computational results show that in 501 out of 502 targets, the model sets generated by POS contain structure models are within subangstrom resolution. Moreover, the top-ranked models have a root mean square deviation (rmsd) less than 1 A in 96.8, 84.1, and 72.2% of the short (4-6 residues), medium (7-9 residues), and long (10-12 residues) targets, respectively, when the all-atom models are generated by local optimization from the backbone models and are ranked by our

  20. Structural relaxation and crystallisation of bulk metallic glasses Zr41Ti14Cu12.5Ni10-xBe22.5Fex (x = 0 or 2) studied by mechanical spectroscopy

    International Nuclear Information System (INIS)

    Wang, Q.; Pelletier, J.M.; Dong, Y.D.; Ji, Y.F.

    2004-01-01

    The measurements of the internal friction and dynamic shear modulus as well as differential scanning calorimetry have been performed in order to investigate the structural relaxation and crystallization of Zr 41 Ti 14 Cu 12.5 Ni 10-x Be 22.5 Fe x (x=0 or 2) bulk metallic glasses. It is found that the glass transition is retarded and the thermal stability of supercooled liquid is increased by the Fe addition. The experimental results are well analyzed using a physical model, which can characterize atomic mobility and mechanical response of disordered condensed materials

  1. The Structure of Goal Contents Revisited. A Verification of the Model in Polish Samples

    Directory of Open Access Journals (Sweden)

    Górnik-Durose Małgorzata

    2016-12-01

    Full Text Available The article presents an attempt to confirm the circumplex structure of goal contents, identified in 15 cultures around the world (Grouzet et al., 2005, in nine Polish samples. The procedure followed steps from the original study and included testing the assumed 11-factor goal structure and the two-dimensional circular organization of the goal contents. None of the analyses showed outcomes that would explicitly confirm the results attained in the original study. The CFA showed rather poor fits. Results of the MDS generally supported the assumption about the two-dimensional goal contents structure, however ipsative distance analysis reproduced only one of the two assumed dimensions. Finally, although the CIRCUM analysis showed in principle that in the Polish sample the organization of goal contents on the circumference was quite similar to original, the RMSEA indicated poor fit. Methodological and conceptual reasons for the replication failure are analyzed and discussed.

  2. Factor structure of the Perceived Stress Scale (PSS) in a sample from Mexico.

    Science.gov (United States)

    Ramírez, Mónica Teresa González; Hernández, René Landero

    2007-05-01

    The aim of this study was to analyze the cultural adaptation of the European Spanish version of the Perceived Stress Scale (PSS; Cohen, Kamarak, & Mermelstein, 1983), for its use in Mexican samples. Using a random sample of students, internal consistency was analyzed and the factor structure of the Spanish version of the PSS was compared with the factor structure found in the English version. Internal consistency was adequate (alpha = .83) and confirmatory factor analysis corroborated the factor structure. Factor 1 explained 42.8% of the variance and Factor 2 accounted for 53.2%. The goodness-of-fit measures also revealed an adequate fit. The cultural adaptation of the PSS was also evaluated with satisfactory results.

  3. Alkali-silica reaction products: Comparison between samples from concrete structures and laboratory test specimens

    International Nuclear Information System (INIS)

    Sachlova, Sarka; Prikryl, Richard; Pertold, Zdenek

    2010-01-01

    Alkali-silica gels (ASG) were investigated in concrete from bridge structures (constructed from the 1920s to 2000), as well as in experimental specimens; employing optical microscopy, petrographic image analysis, and scanning electron microscopy combined with energy dispersive spectroscopy (SEM/EDS). The main differences were found in the chemical composition and morphology of the ASGs. ASGs which had formed in older concrete samples (50-80 years old) show a partly crystalline structure and higher Ca 2+ content, indicating their aging and maturation. Younger concrete samples and experimental test specimens exhibit the presence of amorphous ASG. The chemistry of ASG from experimental specimens reflects the chemical composition of accelerating solutions. - Research Highlights: → Quantitative analysis of alkali-silica gels → Comparison of ASR in experimental conditions with ASR in bridge structures → Investigation of factors affecting alkali-silica reaction → Investigation of ASR of different types of aggregates

  4. Nanostructured and nanolayer coatings based on nitrides of the metals structure study and structure and composition standard samples set development

    Directory of Open Access Journals (Sweden)

    E. B. Chabina

    2014-01-01

    Full Text Available Researches by methods of analytical microscopy and the x-ray analysis have allowed to develop a set of standard samples of composition and structure of the strengthening nanostructured and nanolayer coatings for control of the strengthening nanostructured and nanolayer coatings based on nitrides of the metals used to protect critical parts of the compressor of the gas turbine engine from dust erosion, corrosion and oxidation.

  5. Micromegas in a bulk

    International Nuclear Information System (INIS)

    Giomataris, I.; De Oliveira, R.; Andriamonje, S.; Aune, S.; Charpak, G.; Colas, P.; Fanourakis, G.; Ferrer, E.; Giganon, A.; Rebourgeard, Ph.; Salin, P.

    2006-01-01

    In this paper, we present a novel way to manufacture the bulk Micromegas detector. A simple process based on the Printed Circuit Board (PCB) technology is employed to produce the entire sensitive detector. Such a fabrication process could be extended to very large area detectors made by the industry. The low cost fabrication together with the robustness of the electrode materials will make it attractive for several applications ranging from particle physics and astrophysics to medicine

  6. Micro-Raman scattering studies of Ge-Sb-Te bulk crystals and nanoparticles

    International Nuclear Information System (INIS)

    Cho, E.; Yoon, S.; Yoon, H. R.; Jo, W.

    2006-01-01

    We measured micro-Raman scattering spectra of commercially available Ge-Sb-Te (GST) bulk crystals and GST nanoparticles which were synthesized using a pulsed laser ablation method. The lack of the amorphous Te-Te stretching mode near 150 cm -1 from the Raman spectrum of the bulk sample indicated that the sample was well-crystallized. We also measured GST nanoparticles with different growth conditions, from which we could get information towards the optimal growth conditions for better crystallinity of the GST nanoparticles. Our results suggest that through local structural information, micro-Raman scattering spectroscopy can be used to study the phases and the phase changes in the GST bulk crystals and nanoparticles which is being developed for low-power non-volatile memory applications.

  7. Assessing the diagnostic validity of a structured psychiatric interview in a first-admission hospital sample

    DEFF Research Database (Denmark)

    Nordgaard, Julie; Revsbech, Rasmus; Sæbye, Ditte

    2012-01-01

    The use of structured psychiatric interviews performed by non-clinicians is frequent for research purposes and is becoming increasingly common in clini-cal practice. The validity of such interviews has rarely been evaluated empirically. In this study of a sample of 100 diagnostically heterogeneous......, first-admitted inpatients, the results of an assessment with the Structured Clinical Interview for DSM-IV (SCID), yielding a DSM-IV diagnosis and performed by a trained non-clinician, were compared with a consensus lifetime best diagnostic estimate (DSM-IV) by two experienced research clinicians, based...... on multiple sources of information, which included videotaped comprehensive semi-structured narrative interviews. The overall kappa agreement was 0.18. The sensitivity and specificity for the diagnosis of schizophrenia by SCID were 19% and 100%, respectively. It is concluded that structured interviews...

  8. Sampling technique affects the population structure assessments of fiddler crab Minuca vocator (Herbst, 1804 (Ocypodidae: Gelasiminae

    Directory of Open Access Journals (Sweden)

    Karine Delevati Colpo

    Full Text Available Abstract We examined how the sampling technique can affect the evaluation of Minuca vocator (Herbst, 1804 population structure. We used two sampling procedures: catch-per-unit-effort (CPUE and quadrat technique (QT. Body size, size-frequency distribution, population density, juvenile recruitment rates, proportion of ovigerous females and sex ratio were compared between the sampling procedures. QT allowed us to estimate and compare crab and burrow densities. CPUE sampled both adult crabs and the largest crabs more frequently, whereas QT recorded a greater proportion of smaller crabs. CPUE underestimated the size of M. vocator populations, while density estimates obtained with QT were accurate. The proportion of juveniles was higher with QT than with CPUE, suggesting that recruitment rates estimated by QT were more suitable. The sampling effort provided by CPUE was more efficient for obtaining ovigerous-dependent information than QT. Both sampling techniques showed a predominance of males in all three M. vocator populations. The population density estimation based on burrows overestimated the natural density of M. vocator in all mangroves. Our results suggest that neither CPUE nor QT individually were accurate sampling techniques, but together provided reliable assessments of fiddler crab populations.

  9. Structural and magnetic properties evolution study method using a single ribbon-shaped sample

    Science.gov (United States)

    Moya, Javier A.

    2017-06-01

    A new type of study is presented for magnetic and structural characterization of amorphous or nanocrystalline metallic alloys in ribbon or wire-shaped samples. A single sample is subjecting to successive steps of flash isocurrent heat treatments with increasing duration in time, followed by a rapid cooling, while magneto-electric properties evolution are scanned in situ at room temperature. When one set of isocurrent heat treatments is finished, the annealing current is increased and a new set of isocurrent treatments starts. The properties studied were the saturation magnetization and the coercive field at 50 Hz, magnetic permeability at 100 kHz and electrical resistance from where we also obtained the crystalline fraction. The method was applied on two samples of Finemet-like alloys and the results were analyzed from the perspective of current literature. With the present method it is possible to obtain a general and meticulous understanding of the structural and magnetic evolution of the samples tested, with a considerable saving of time and samples.

  10. ANALISIS KESELAMATAN TERMOHIDROLIK BULK SHIELDING REAKTOR KARTINI

    Directory of Open Access Journals (Sweden)

    Azizul Khakim

    2015-10-01

    Full Text Available ABSTRAK ANALISIS KESELAMATAN TERMOHIDROLIK BULK SHIELDING REAKTOR KARTINI. Bulk shielding merupakan fasilitas yang terintegrasi dengan reaktor Kartini yang berfungsi sebagai penyimpanan sementara bahan bakar bekas. Fasilitas ini merupakan fasilitas yang termasuk dalam struktur, sistem dan komponen (SSK yang penting bagi keselamatan. Salah satu fungsi keselamatan dari sistem penanganan dan penyimpanan bahan bakar adalah mencegah kecelakaan kekritisan yang tak terkendali dan membatasi naiknya temperatur bahan bakar. Analisis keselamatan paling kurang harus mencakup analisis keselamatan dari sisi neutronik dan termo hidrolik Bulk shielding. Analisis termo hidrolik ditujukan untuk memastikan perpindahan panas dan proses pendinginan bahan bakar bekas berjalan baik dan tidak terjadi akumulasi panas yang mengancam integritas bahan bakar. Code tervalidasi PARET/ANL digunakan untuk analisis pendinginan dengan mode konveksi alam. Hasil perhitungan menunjukkan bahwa mode pendinginan konvekasi alam cukup memadai dalam mendinginkan panas sisa tanpa mengakibatkan kenaikan temperatur bahan bakar yang signifikan. Kata kunci: Bulk shielding, bahan bakar bekas, konveksi alam, PARET.   ABSTRACT THERMAL HYDRAULIC SAFETY ANALYSIS OF BULK SHIELDING KARTINI REACTOR. Bulk shielding is an integrated facility to Kartini reactor which is used for temporary spent fuels storage. The facility is one of the structures, systems and components (SSCs important to safety. Among the safety functions of fuel handling and storage are to prevent any uncontrolable criticality accidents and to limit the fuel temperature increase. Safety analyses should, at least, cover neutronic and thermal hydraulic calculations of the bulk shielding. Thermal hydraulic analyses were intended to ensure that heat removal and the process of the spent fuels cooling takes place adequately and no heat accumulation that challenges the fuel integrity. Validated code, PARET/ANL was used for analysing the

  11. On the role of dimensionality and sample size for unstructured and structured covariance matrix estimation

    Science.gov (United States)

    Morgera, S. D.; Cooper, D. B.

    1976-01-01

    The experimental observation that a surprisingly small sample size vis-a-vis dimension is needed to achieve good signal-to-interference ratio (SIR) performance with an adaptive predetection filter is explained. The adaptive filter requires estimates as obtained by a recursive stochastic algorithm of the inverse of the filter input data covariance matrix. The SIR performance with sample size is compared for the situations where the covariance matrix estimates are of unstructured (generalized) form and of structured (finite Toeplitz) form; the latter case is consistent with weak stationarity of the input data stochastic process.

  12. Structure of DSM-5 and ICD-11 personality domains in Iranian community sample.

    Science.gov (United States)

    Lotfi, Mozhgan; Bach, Bo; Amini, Mahdi; Simonsen, Erik

    2018-02-02

    Personality disorders (PD) have been deemed the most problematic diagnostic grouping in terms of validity and utility, which particularly applies to non-Western societies. The current study evaluated the structural validity of PD trait domains in the Diagnostic and Statistical Manual of Mental Disorders-5 (DSM-5) Section III and the proposed International Classification of Diseases-11 (ICD-11) in the Iranian population. Community-dwelling adults (n = 285; 66% women) were administered the Personality Inventory for DSM-5, whereas the proposed ICD-11 trait domains were delineated using an algorithm for Personality Inventory for DSM-5 trait facets. The five-factor organization and higher-order hierarchical structure of both models were examined using exploratory structural equation modelling analyses. The five-factor exploratory structural equation modelling loadings overall resembled international findings on DSM-5 Section III traits (including Psychoticism), whereas the ICD-11 five-factor structure aligned with the proposed ICD-11 domain features (including Anankastia). Additionally, we identified a hierarchical structure from one to five factors for both models that conceptually aligned with established models of personality and psychopathology. This study provided initial support for the structural validity of DSM-5 and ICD-11 PD trait models in Iranian culture. Future research warrants replication in larger samples and clinical populations. Copyright © 2018 John Wiley & Sons, Ltd. Copyright © 2018 John Wiley & Sons, Ltd.

  13. Surface barrier and bulk pinning in MgB$_2$ superconductor

    OpenAIRE

    Pissas, M.; Moraitakis, E.; Stamopoulos, D.; Papavassiliou, G.; Psycharis, V.; Koutandos, S.

    2001-01-01

    We present a modified method of preparation of the new superconductor MgB$_2$. The polycrystalline samples were characterized using x-ray and magnetic measurements. The surface barriers control the isothermal magnetization loops in powder samples. In bulk as prepared samples we always observed symmetric magnetization loops indicative of the presence of a bulk pinning mechanism. Magnetic relaxation measurements in the bulk sample reveal a crossover of surface barrier to bulk pinning.

  14. Diffusion or bulk flow

    DEFF Research Database (Denmark)

    Schulz, Alexander

    2015-01-01

    assimilate movement includes an apoplasmic step, this mode is called apoplasmic loading. Well established is also the polymer-trap loading mode, where the phloem-transport sugars are raffinose-family oligomers in herbaceous plants. Also this mode depends on the investment of energy, here for sugar...... is currently matter of discussion, called passive symplasmic loading. Based on the limited material available, this review compares the different loading modes and suggests that diffusion is the driving force in apoplasmic loaders, while bulk flow plays an increasing role in plants having a continuous...

  15. Combining Evolutionary Information and an Iterative Sampling Strategy for Accurate Protein Structure Prediction.

    Directory of Open Access Journals (Sweden)

    Tatjana Braun

    2015-12-01

    Full Text Available Recent work has shown that the accuracy of ab initio structure prediction can be significantly improved by integrating evolutionary information in form of intra-protein residue-residue contacts. Following this seminal result, much effort is put into the improvement of contact predictions. However, there is also a substantial need to develop structure prediction protocols tailored to the type of restraints gained by contact predictions. Here, we present a structure prediction protocol that combines evolutionary information with the resolution-adapted structural recombination approach of Rosetta, called RASREC. Compared to the classic Rosetta ab initio protocol, RASREC achieves improved sampling, better convergence and higher robustness against incorrect distance restraints, making it the ideal sampling strategy for the stated problem. To demonstrate the accuracy of our protocol, we tested the approach on a diverse set of 28 globular proteins. Our method is able to converge for 26 out of the 28 targets and improves the average TM-score of the entire benchmark set from 0.55 to 0.72 when compared to the top ranked models obtained by the EVFold web server using identical contact predictions. Using a smaller benchmark, we furthermore show that the prediction accuracy of our method is only slightly reduced when the contact prediction accuracy is comparatively low. This observation is of special interest for protein sequences that only have a limited number of homologs.

  16. Probabilistic Equilibrium Sampling of Protein Structures from SAXS Data and a Coarse Grained Debye Formula

    DEFF Research Database (Denmark)

    Andreetta, Christian

    The present work describes the design and the implementation of a protocol for arbitrary precision computation of Small Angle X-ray Scattering (SAXS) profiles, and its inclusion in a probabilistic framework for protein structure determination. This protocol identifies a set of maximum-likelihood ......The present work describes the design and the implementation of a protocol for arbitrary precision computation of Small Angle X-ray Scattering (SAXS) profiles, and its inclusion in a probabilistic framework for protein structure determination. This protocol identifies a set of maximum...... of protein structures all fitting the experimental data. For the first time, we describe in full atomic detail a set of different conformations attainable by flexible polypeptides in solution. This method is not limited by assumptions in shape or size of the samples. It allows therefore to investigate...

  17. Bulk analysis using nuclear techniques

    International Nuclear Information System (INIS)

    Borsaru, M.; Holmes, R.J.; Mathew, P.J.

    1983-01-01

    Bulk analysis techniques developed for the mining industry are reviewed. Using penetrating neutron and #betta#-radiations, measurements are obtained directly from a large volume of sample (3-30 kg) #betta#-techniques were used to determine the grade of iron ore and to detect shale on conveyor belts. Thermal neutron irradiation was developed for the simultaneous determination of iron and aluminium in iron ore on a conveyor belt. Thermal-neutron activation analysis includes the determination of alumina in bauxite, and manganese and alumina in manganese ore. Fast neutron activation analysis is used to determine silicon in iron ores, and alumina and silica in bauxite. Fast and thermal neutron activation has been used to determine the soil in shredded sugar cane. (U.K.)

  18. Synthesis of Bulk Superconducting Magnesium Diboride

    Directory of Open Access Journals (Sweden)

    Margie Olbinado

    2002-06-01

    Full Text Available Bulk polycrystalline superconducting magnesium diboride, MgB2, samples were successfully prepared via a one-step sintering program at 750°C, in pre Argon with a pressure of 1atm. Both electrical resistivity and magnetic susceptibility measurements confirmed the superconductivity of the material at 39K, with a transition width of 5K. The polycrystalline nature, granular morphology, and composition of the sintered bulk material were confirmed using X-ray diffractometry (XRD, scanning electron microscopy (SEM, and energy dispersive X-ray analysis (EDX.

  19. Bulk-Fill Resin Composites

    DEFF Research Database (Denmark)

    Benetti, Ana Raquel; Havndrup-Pedersen, Cæcilie; Honoré, Daniel

    2015-01-01

    the restorative procedure. The aim of this study, therefore, was to compare the depth of cure, polymerization contraction, and gap formation in bulk-fill resin composites with those of a conventional resin composite. To achieve this, the depth of cure was assessed in accordance with the International Organization...... for Standardization 4049 standard, and the polymerization contraction was determined using the bonded-disc method. The gap formation was measured at the dentin margin of Class II cavities. Five bulk-fill resin composites were investigated: two high-viscosity (Tetric EvoCeram Bulk Fill, SonicFill) and three low......-viscosity (x-tra base, Venus Bulk Fill, SDR) materials. Compared with the conventional resin composite, the high-viscosity bulk-fill materials exhibited only a small increase (but significant for Tetric EvoCeram Bulk Fill) in depth of cure and polymerization contraction, whereas the low-viscosity bulk...

  20. Bulk sensitive hard x-ray photoemission electron microscopy.

    Science.gov (United States)

    Patt, M; Wiemann, C; Weber, N; Escher, M; Gloskovskii, A; Drube, W; Merkel, M; Schneider, C M

    2014-11-01

    Hard x-ray photoelectron spectroscopy (HAXPES) has now matured into a well-established technique as a bulk sensitive probe of the electronic structure due to the larger escape depth of the highly energetic electrons. In order to enable HAXPES studies with high lateral resolution, we have set up a dedicated energy-filtered hard x-ray photoemission electron microscope (HAXPEEM) working with electron kinetic energies up to 10 keV. It is based on the NanoESCA design and also preserves the performance of the instrument in the low and medium energy range. In this way, spectromicroscopy can be performed from threshold to hard x-ray photoemission. The high potential of the HAXPEEM approach for the investigation of buried layers and structures has been shown already on a layered and structured SrTiO3 sample. Here, we present results of experiments with test structures to elaborate the imaging and spectroscopic performance of the instrument and show the capabilities of the method to image bulk properties. Additionally, we introduce a method to determine the effective attenuation length of photoelectrons in a direct photoemission experiment.

  1. Methodological effects in Fourier transform infrared (FTIR) spectroscopy: Implications for structural analyses of biomacromolecular samples

    Science.gov (United States)

    Kamnev, Alexander A.; Tugarova, Anna V.; Dyatlova, Yulia A.; Tarantilis, Petros A.; Grigoryeva, Olga P.; Fainleib, Alexander M.; De Luca, Stefania

    2018-03-01

    A set of experimental data obtained by Fourier transform infrared (FTIR) spectroscopy (involving the use of samples ground and pressed with KBr, i.e. in a polar halide matrix) and by matrix-free transmission FTIR or diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic methodologies (involving measurements of thin films or pure powdered samples, respectively) were compared for several different biomacromolecular substances. The samples under study included poly-3-hydroxybutyrate (PHB) isolated from cell biomass of the rhizobacterium Azospirillum brasilense; dry PHB-containing A. brasilense biomass; pectin (natural carboxylated heteropolysaccharide of plant origin; obtained from apple peel) as well as its chemically modified derivatives obtained by partial esterification of its galacturonide-chain hydroxyl moieties with palmitic, oleic and linoleic acids. Significant shifts of some FTIR vibrational bands related to polar functional groups of all the biomacromolecules under study, induced by the halide matrix used for preparing the samples for spectroscopic measurements, were shown and discussed. A polar halide matrix used for preparing samples for FTIR measurements was shown to be likely to affect band positions not only per se, by affecting band energies or via ion exchange (e.g., with carboxylate moieties), but also by inducing crystallisation of metastable amorphous biopolymers (e.g., PHB of microbial origin). The results obtained have important implications for correct structural analyses of polar, H-bonded and/or amphiphilic biomacromolecular systems using different methodologies of FTIR spectroscopy.

  2. Reconstruction of vessel structures from serial whole slide sections of murine liver samples

    Science.gov (United States)

    Schwier, Michael; Hahn, Horst K.; Dahmen, Uta; Dirsch, Olaf

    2013-03-01

    Image-based analysis of the vascular structures of murine liver samples is an important tool for scientists to understand liver physiology and morphology. Typical assessment methods are MicroCT, which allows for acquiring images of the whole organ while lacking resolution for fine details, and confocal laser scanning microscopy, which allows detailed insights into fine structures while lacking the broader context. Imaging of histological serial whole slide sections is a recent technology able to fill this gap, since it provides a fine resolution up to the cellular level, but on a whole organ scale. However, whole slide imaging is a modality providing only 2D images. Therefore the challenge is to use stacks of serial sections from which to reconstruct the 3D vessel structures. In this paper we present a semi-automatic procedure to achieve this goal. We employ an automatic method that detects vessel structures based on continuity and shape characteristics. Furthermore it supports the user to perform manual corrections where required. With our methods we were able to successfully extract and reconstruct vessel structures from a stack of 100 and a stack of 397 serial sections of a mouse liver lobe, thus proving the potential of our approach.

  3. Bulk material handling system

    Science.gov (United States)

    Kleysteuber, William K.; Mayercheck, William D.

    1979-01-01

    This disclosure relates to a bulk material handling system particularly adapted for underground mining and includes a monorail supported overhead and carrying a plurality of conveyors each having input and output end portions with the output end portion of a first of the conveyors positioned above an input end portion of a second of the conveyors, a device for imparting motion to the conveyors to move the material from the input end portions toward the output end portions thereof, a device for supporting at least one of the input and output end portions of the first and second conveyors from the monorail, and the supporting device including a plurality of trolleys rollingly supported by the monorail whereby the conveyors can be readily moved therealong.

  4. Bulk muscles, loose cables.

    Science.gov (United States)

    Liyanage, Chamari R D G; Kodali, Venkata

    2014-10-17

    The accessibility and usage of body building supplements is on the rise with stronger internet marketing strategies by the industry. The dangers posed by the ingredients in them are underestimated. A healthy young man came to the emergency room with palpitations and feeling unwell. Initial history and clinical examination were non-contributory to find the cause. ECG showed atrial fibrillation. A detailed history for any over the counter or herbal medicine use confirmed that he was taking supplements to bulk muscle. One of the components in these supplements is yohimbine; the onset of symptoms coincided with the ingestion of this product and the patient is symptom free after stopping it. This report highlights the dangers to the public of consuming over the counter products with unknown ingredients and the consequential detrimental impact on health. 2014 BMJ Publishing Group Ltd.

  5. Efficient Sampling of the Structure of Crypto Generators' State Transition Graphs

    Science.gov (United States)

    Keller, Jörg

    Cryptographic generators, e.g. stream cipher generators like the A5/1 used in GSM networks or pseudo-random number generators, are widely used in cryptographic network protocols. Basically, they are finite state machines with deterministic transition functions. Their state transition graphs typically cannot be analyzed analytically, nor can they be explored completely because of their size which typically is at least n = 264. Yet, their structure, i.e. number and sizes of weakly connected components, is of interest because a structure deviating significantly from expected values for random graphs may form a distinguishing attack that indicates a weakness or backdoor. By sampling, one randomly chooses k nodes, derives their distribution onto connected components by graph exploration, and extrapolates these results to the complete graph. In known algorithms, the computational cost to determine the component for one randomly chosen node is up to O(√n), which severely restricts the sample size k. We present an algorithm where the computational cost to find the connected component for one randomly chosen node is O(1), so that a much larger sample size k can be analyzed in a given time. We report on the performance of a prototype implementation, and about preliminary analysis for several generators.

  6. Production of high-strength Al85Y8Ni5Co2 bulk alloy by spark plasma sintering

    International Nuclear Information System (INIS)

    Surreddi, K B; Scudino, S; Sakaliyska, M; Eckert, J; Srivastava, V C; Uhlenwinkel, V; Kim, J S

    2010-01-01

    Highly dense bulk samples were produced by spark plasma sintering (SPS) through combined devitrification and consolidation of partially amorphous Al 85 Y 8 Ni 5 Co 2 gas atomized powders. The microstructure of the consolidated samples shows a mixed structure containing crystalline, ultrafine-grained and amorphous/nanocrystalline particles. The sintered sample exhibits a remarkable high strength of about 1050 MPa combined with 3.7 % fracture strain.

  7. Development of superconductor bulk for superconductor bearing

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Chan Joong; Jun, Byung Hyuk; Park, Soon Dong (and others)

    2008-08-15

    Current carrying capacity is one of the most important issues in the consideration of superconductor bulk materials for engineering applications. There are numerous applications of Y-Ba-Cu-O (YBCO) bulk superconductors e.g. magnetic levitation train, flywheel energy storage system, levitation transportation, lunar telescope, centrifugal device, magnetic shielding materials, bulk magnets etc. Accordingly, to obtain YBCO materials in the form of large, single crystals without weak-link problem is necessary. A top seeded melt growth (TSMG) process was used to fabricate single crystal YBCO bulk superconductors. The seeded and infiltration growth (IG) technique was also very promising method for the synthesis of large, single-grain YBCO bulk superconductors with good superconducting properties. 5 wt.% Ag doped Y211 green compacts were sintered at 900 .deg. C {approx} 1200 .deg.C and then a single crystal YBCO was fabricated by an infiltration method. A refinement and uniform distribution of the Y211 particles in the Y123 matrix were achieved by sintering the Ag-doped samples. This enhancement of the critical current density was ascribable to a fine dispersion of the Y211 particles, a low porosity and the presence of Ag particles. In addition, we have designed and manufactured large YBCO single domain with levitation force of 10-13 kg/cm{sup 2} using TSMG processing technique.

  8. Bulk amorphous Mg-based alloys

    DEFF Research Database (Denmark)

    Pryds, Nini

    2004-01-01

    The present paper describes the preparation and properties of bulk amorphous quarternary Mg-based alloys and the influence of additional elements on the ability of the alloy to form bulk amorphous. The main goal is to find a Mg-based alloy system which shows both high strength to weight ratio...... and a low glass transition temperature. The alloys were prepared by using a relatively simple technique, i.e. rapid cooling of the melt in a copper wedge mould. The essential structural changes that are achieved by going from the amorphous to the crystalline state through the supercooled liquid state...... are discussed in this paper. On the basis of these measurements phase diagrams of the different systems were constructed. Finally, it is demonstrated that when pressing the bulk amorphous alloy onto a metallic dies at temperatures within the supercooled liquid region, the alloy faithfully replicates the surface...

  9. Hexaferrite multiferroics: from bulk to thick films

    Science.gov (United States)

    Koutzarova, T.; Ghelev, Ch; Peneva, P.; Georgieva, B.; Kolev, S.; Vertruyen, B.; Closset, R.

    2018-03-01

    We report studies of the structural and microstructural properties of Sr3Co2Fe24O41 in bulk form and as thick films. The precursor powders for the bulk form were prepared following the sol-gel auto-combustion method. The prepared pellets were synthesized at 1200 °C to produce Sr3Co2Fe24O41. The XRD spectra of the bulks showed the characteristic peaks corresponding to the Z-type hexaferrite structure as a main phase and second phases of CoFe2O4 and Sr3Fe2O7-x. The microstructure analysis of the cross-section of the bulk pellets revealed a hexagonal sheet structure. Large areas were observed of packages of hexagonal sheets where the separate hexagonal particles were ordered along the c axis. Sr3Co2Fe24O41 thick films were deposited from a suspension containing the Sr3Co2Fe24O41 powder. The microstructural analysis of the thick films showed that the particles had the perfect hexagonal shape typical for hexaferrites.

  10. Construct validity of the WISC-IV with a referred sample: direct versus indirect hierarchical structures.

    Science.gov (United States)

    Canivez, Gary L

    2014-03-01

    The Wechsler Intelligence Scale for Children-Fourth Edition (WISC-IV) is one of the most frequently used intelligence tests in clinical assessments of children with learning difficulties. Construct validity studies of the WISC-IV have generally supported the higher order structure with four correlated first-order factors and one higher-order general intelligence factor, but recent studies have supported an alternate model in which general intelligence is conceptualized as a breadth factor rather than a superordinate factor (M. W. Watkins, 2010, Structure of the Wechsler Intelligence Scale for Children-Fourth Edition among a national sample of referred students, Psychological Assessment, Vol. 22, pp. 782-787; M. W. Watkins, G. L. Canivez, T. James, K. & R. Good, in press, Construct validity of the WISC-IVUK with a large referred Irish sample, International Journal of School and Educational Psychology). WISC-IV core subtest data obtained from evaluations to assess learning difficulties in 345 children (224 boys, 121 girls) were examined. One through four, first order factor models and indirect versus direct hierarchical models were compared using confirmatory factor analyses. The correlated four-factor Wechsler model provided good fit to these data, but the direct hierarchical model showed statistically significant improvement over the indirect hierarchical model and correlated four-factor model. The direct hierarchical model was judged the best explanation of the WISC-IV factor structure, with the general factor accounting for 71.6% of the common variance while the first order factors accounted for 2.4-10.3% of the common variance. Thus, the results with the present sample of referred children were similar to those from other investigations (G. E. Gignac, 2005, Revisiting the factor structure of the WAIS-R: Insights through nested factor modeling, Assessment, Vol. 12, pp. 320-329; G. E. Gignac, 2006, The WAIS-III as a nested factors model: A useful alternative to

  11. Tuning the electronic structure of bulk FeSe with chemical pressure using quantum oscillations and angle resolved photoemission spectroscopy (ARPES)

    Science.gov (United States)

    Coldea, Amalia

    FeSe is a unique and intriguing superconductor which can be tuned into a high temperature superconducting state using applied pressure, chemical intercalation and surface doping. In the absence of magnetism, the structural transition in FeSe is believed to be electronically driven, with the orbital degrees of freedom playing an important part. This scenario supports the stabilization of a nematic state in FeSe, which manifests as a Fermi surface deformation in the presence of strong interactions, as detected by ARPES. Another manifestation of the nematicity is the enhanced nematic susceptibility determined from elastoresistance measurements under applied strain. Isovalent Sulphur substitution onto the Selenium site constitutes a chemical pressure, which subtly modifies the electronic structure of FeSe, suppressing the structural transition without inducing high temperature superconductivity. I will present the evolution of the electronic structure with chemical pressure in FeSe, as determined from quantum oscillations and ARPES studies and I will discuss the suppression of the nematic electronic state and the role of electronic correlations. Experiments were performed at high magnetic field facilities in Tallahassee, Nijmegen and Toulouse and Diamond Light Source, UK. This work is mainly supported by EPSRC, UK (EP/I004475/1, EP/I017836/1) and I acknowledge my collaborators from Refs. .

  12. Factor Structure of a Multidimensional Gender Identity Scale in a Sample of Chinese Elementary School Children

    Directory of Open Access Journals (Sweden)

    Lu Yu

    2012-01-01

    Full Text Available This study examined the factor structure of a scale based on the four-dimensional gender identity model (Egan and Perry, 2001 in 726 Chinese elementary school students. Exploratory factor analyses suggested a three-factor model, two of which corresponded to “Felt Pressure” and “Intergroup Bias” in the original model. The third factor “Gender Compatibility” appeared to be a combination of “Gender Typicality” and “Gender Contentment” in the original model. Follow-up confirmatory factor analysis (CFA indicated that, relative to the initial four-factor structure, the three-factor model fits the current Chinese sample better. These results are discussed in light of cross-cultural similarities and differences in development of gender identity.

  13. Final Report: Sampling-Based Algorithms for Estimating Structure in Big Data.

    Energy Technology Data Exchange (ETDEWEB)

    Matulef, Kevin Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-02-01

    The purpose of this project was to develop sampling-based algorithms to discover hidden struc- ture in massive data sets. Inferring structure in large data sets is an increasingly common task in many critical national security applications. These data sets come from myriad sources, such as network traffic, sensor data, and data generated by large-scale simulations. They are often so large that traditional data mining techniques are time consuming or even infeasible. To address this problem, we focus on a class of algorithms that do not compute an exact answer, but instead use sampling to compute an approximate answer using fewer resources. The particular class of algorithms that we focus on are streaming algorithms , so called because they are designed to handle high-throughput streams of data. Streaming algorithms have only a small amount of working storage - much less than the size of the full data stream - so they must necessarily use sampling to approximate the correct answer. We present two results: * A streaming algorithm called HyperHeadTail , that estimates the degree distribution of a graph (i.e., the distribution of the number of connections for each node in a network). The degree distribution is a fundamental graph property, but prior work on estimating the degree distribution in a streaming setting was impractical for many real-world application. We improve upon prior work by developing an algorithm that can handle streams with repeated edges, and graph structures that evolve over time. * An algorithm for the task of maintaining a weighted subsample of items in a stream, when the items must be sampled according to their weight, and the weights are dynamically changing. To our knowledge, this is the first such algorithm designed for dynamically evolving weights. We expect it may be useful as a building block for other streaming algorithms on dynamic data sets.

  14. Probabilistic Equilibrium Sampling of Protein Structures from SAXS Data and a Coarse Grained Debye Formula

    DEFF Research Database (Denmark)

    Andreetta, Christian

    ) is also provided. Empowered by data available from SAXS experiments, by this protocol as a forward model for Markov Chain Monte Carlo (MCMC) simulations, by a continuous model of the peptide bond (TorusDBN) and the conformations of side chains (COMPAS and BasiliskDBN), we are able to propose ensembles...... of protein structures all fitting the experimental data. For the first time, we describe in full atomic detail a set of different conformations attainable by flexible polypeptides in solution. This method is not limited by assumptions in shape or size of the samples. It allows therefore to investigate...

  15. The structure of posttraumatic stress disorder: latent class analysis in 2 community samples.

    Science.gov (United States)

    Breslau, Naomi; Reboussin, Beth A; Anthony, James C; Storr, Carla L

    2005-12-01

    Latent structure analysis of DSM-IV posttraumatic stress disorder (PTSD) can help clarify how persons who experience traumatic events might be sorted into clusters with respect to their symptom profiles. Classification of persons exposed to traumatic events into clinically homogeneous groups would facilitate further etiologic and treatment research, as well as research on the relationship of trauma and PTSD with other disorders. To examine empirically the structure underlying PTSD criterion symptoms and identify discrete classes with similar symptom profiles. Data on PTSD symptoms from trauma-exposed subsets of 2 community samples were subjected to latent class analysis. The resultant classes were studied in associations with trauma type and indicators of impairment. The first sample is from the Detroit Area Survey of Trauma (1899 trauma-exposed respondents with complete data) and the second is from a mid-Atlantic study of young adults conducted by The Johns Hopkins University Prevention Research Center, Baltimore, Md (1377 trauma-exposed respondents with complete data). Respondents in the 2 community samples who experienced 1 or more qualifying PTSD-level traumatic events. Number, size, and symptom profiles of latent classes. In both samples, analysis yielded 3 classes: no disturbance, intermediate disturbance, and pervasive disturbance. The classes also varied qualitatively, with emotional numbing distinguishing the class of pervasive disturbance, a class that approximates the subset with DSM-IV PTSD. Members of the pervasive disturbance class were far more likely to report use of medical care and disruptions in life or activities. The 3-class structure separates trauma-exposed persons with pervasive disturbance (a class that approximates DSM-IV PTSD) from no disturbance and intermediate disturbance, a distinction that also helps identify population subgroups with low risk for any posttrauma disturbance. The results suggest that the structure of PTSD is ordinal

  16. Factor structure and psychometric properties of the Anxiety Sensitivity Index-3 in an Italian community sample

    Directory of Open Access Journals (Sweden)

    Marta eGhisi

    2016-02-01

    Full Text Available Anxiety Sensitivity (AS is defined as the fear of anxiety and of arousal-related bodily sensations, arising from erroneous beliefs that these sensations will have adverse consequences. AS plays a key role both in the onset and in the maintenance of several disorders, particularly anxiety disorders. To date, only two studies on American samples have examined the bifactor structure of the Anxiety Sensitivity Index-3 (ASI-3; therefore, findings on different cultures are needed. The main purpose of the present study was to assess the factor structure and psychometric properties of the ASI-3 in an Italian community sample. Participants were recruited from the general population (N=1507. The results of a series of confirmatory factor analyses indicated that the bifactor structure fitted the data better than the most commonly accepted structure for the measure and that it was invariant across gender. Moreover, the current study provided evidence regarding the ASI-3’s reliability and its convergent and divergent validity. Lastly, results pertaining incremental validity of the ASI-3 Physical and Cognitive Concerns subscales above and beyond the total showed that the former was not associated with a measure of physiological anxiety, whereas the latter was weakly associated with a measure of worry.Findings suggest that the ASI-3 is comprised of a dominant general factor and three specific independent factors; given the dominance of the general factor, the use of the ASI-3 total score as a measure of the general fear of anxiety is recommended in both clinical and research settings.

  17. Application of multi-scale (cross-) sample entropy for structural health monitoring

    Science.gov (United States)

    Lin, Tzu-Kang; Liang, Jui-Chang

    2015-08-01

    This study proposes an information-theoretic structural health monitoring (SHM) system based on multi-scale entropy (MSE) and multi-scale cross-sample entropy (MSCE). By measuring the ambient vibration signal from a structure, the damage condition can be rapidly evaluated via MSE analysis. The damage location can then be detected by analyzing the signals of different floors under the same damage condition via MSCE analysis. Moreover, a damage index is proposed to efficiently quantify the SHM process. Unlike some existing SHM methods, no experimental database or numerical model is required. Instead, a reference measurement of the current stage can initiate and launch the SHM system. A numerical simulation of a four-story steel structure is used to verify that the damage location and condition can be detected by the proposed SHM algorithm, and the location can be efficiently quantified by the damage index. A seven-story scaled-down benchmark structure is then employed for experimental verification. Based on the results, the damage condition can be correctly assessed, and average accuracy rates of 63.4 and 86.6% for the damage location can be achieved using the MSCE and damage index methods, respectively. As only the ambient vibration signal is required with a set of initial reference measurements, the proposed SHM system can be implemented practically with low cost.

  18. The latent structure of attention deficit/hyperactivity disorder in an adult sample.

    Science.gov (United States)

    Marcus, David K; Norris, Alyssa L; Coccaro, Emil F

    2012-06-01

    The vast majority of studies that have examined the latent structure of attention deficit/hyperactivity disorder (ADHD) in children and adolescents have concluded that ADHD has a dimensional latent structure. In other words, ADHD symptomatology exists along a continuum and there is no natural boundary or qualitative distinction (i.e., taxon) separating youth with ADHD from those with subclinical inattention or hyperactivity/impulsivity problems. Although adult ADHD appears to be less prevalent than ADHD in youth (which could suggest a more severe adult ADHD taxon), researchers have yet to examine the latent structure of ADHD in adults. The present study used a sample (N = 600) of adults who completed a self-report measure of ADHD symptoms. The taxometric analyses revealed a dimensional latent structure for inattention, hyperactivity/impulsivity, and ADHD. These findings are consistent with previous taxometric studies that examined ADHD in children and adolescents, and with contemporary polygenic and multifactorial models of ADHD. Copyright © 2012 Elsevier Ltd. All rights reserved.

  19. Microfabricated Bulk Piezoelectric Transformers

    Science.gov (United States)

    Barham, Oliver M.

    Piezoelectric voltage transformers (PTs) can be used to transform an input voltage into a different, required output voltage needed in electronic and electro- mechanical systems, among other varied uses. On the macro scale, they have been commercialized in electronics powering consumer laptop liquid crystal displays, and compete with an older, more prevalent technology, inductive electromagnetic volt- age transformers (EMTs). The present work investigates PTs on smaller size scales that are currently in the academic research sphere, with an eye towards applications including micro-robotics and other small-scale electronic and electromechanical sys- tems. PTs and EMTs are compared on the basis of power and energy density, with PTs trending towards higher values of power and energy density, comparatively, indicating their suitability for small-scale systems. Among PT topologies, bulk disc-type PTs, operating in their fundamental radial extension mode, and free-free beam PTs, operating in their fundamental length extensional mode, are good can- didates for microfabrication and are considered here. Analytical modeling based on the Extended Hamilton Method is used to predict device performance and integrate mechanical tethering as a boundary condition. This model differs from previous PT models in that the electric enthalpy is used to derive constituent equations of motion with Hamilton's Method, and therefore this approach is also more generally applica- ble to other piezoelectric systems outside of the present work. Prototype devices are microfabricated using a two mask process consisting of traditional photolithography combined with micropowder blasting, and are tested with various output electri- cal loads. 4mm diameter tethered disc PTs on the order of .002cm. 3 , two orders smaller than the bulk PT literature, had the followingperformance: a prototype with electrode area ratio (input area / output area) = 1 had peak gain of 2.3 (+/- 0.1), efficiency of 33 (+/- 0

  20. Developing bulk exchange spring magnets

    Science.gov (United States)

    Mccall, Scott K.; Kuntz, Joshua D.

    2017-06-27

    A method of making a bulk exchange spring magnet by providing a magnetically soft material, providing a hard magnetic material, and producing a composite of said magnetically soft material and said hard magnetic material to make the bulk exchange spring magnet. The step of producing a composite of magnetically soft material and hard magnetic material is accomplished by electrophoretic deposition of the magnetically soft material and the hard magnetic material to make the bulk exchange spring magnet.

  1. Delineating the joint hierarchical structure of clinical and personality disorders in an outpatient psychiatric sample.

    Science.gov (United States)

    Forbes, Miriam K; Kotov, Roman; Ruggero, Camilo J; Watson, David; Zimmerman, Mark; Krueger, Robert F

    2017-11-01

    A large body of research has focused on identifying the optimal number of dimensions - or spectra - to model individual differences in psychopathology. Recently, it has become increasingly clear that ostensibly competing models with varying numbers of spectra can be synthesized in empirically derived hierarchical structures. We examined the convergence between top-down (bass-ackwards or sequential principal components analysis) and bottom-up (hierarchical agglomerative cluster analysis) statistical methods for elucidating hierarchies to explicate the joint hierarchical structure of clinical and personality disorders. Analyses examined 24 clinical and personality disorders based on semi-structured clinical interviews in an outpatient psychiatric sample (n=2900). The two methods of hierarchical analysis converged on a three-tier joint hierarchy of psychopathology. At the lowest tier, there were seven spectra - disinhibition, antagonism, core thought disorder, detachment, core internalizing, somatoform, and compulsivity - that emerged in both methods. These spectra were nested under the same three higher-order superspectra in both methods: externalizing, broad thought dysfunction, and broad internalizing. In turn, these three superspectra were nested under a single general psychopathology spectrum, which represented the top tier of the hierarchical structure. The hierarchical structure mirrors and extends upon past research, with the inclusion of a novel compulsivity spectrum, and the finding that psychopathology is organized in three superordinate domains. This hierarchy can thus be used as a flexible and integrative framework to facilitate psychopathology research with varying levels of specificity (i.e., focusing on the optimal level of detailed information, rather than the optimal number of factors). Copyright © 2017 Elsevier Inc. All rights reserved.

  2. Effect of annealing in reduced oxygen pressure on the structure and magnetic properties of M-type hexaferrite bulk and film

    Energy Technology Data Exchange (ETDEWEB)

    Moon, Kyoung-Seok; Yang, Dae-Jin; Lee, Sang-Eui [Materials R& D Center, Samsung Advanced Institute of Technology, Samsung Electronics, 16677 Suwon (Korea, Republic of); Kim, Dong Hun [Department of Materials Science and Engineering, Myongji University, 17058 Yongin (Korea, Republic of); Kang, Young-Min, E-mail: ymkang@ut.ac.kr [Department of Materials Science & Engineering, Korea National University of Transportation, 27469 Chungju (Korea, Republic of)

    2017-06-15

    Highlights: • The Ca-La-Co SrM decomposed into the three different ferrite phases after N{sub 2} annealing at 1200 °C. • The charge-imbalance substitution of La{sup 3+}-Co{sup 2+} into SrM induces the phase instability. • The SrM films showed significantly increased M{sub S} with reduced H{sub C} after vacuum annealing. - Abstract: The Ca-La-Co-doped M-type Sr-hexaferrite (Sr{sub 0.1}Ca{sub 0.45}La{sub 0.45}Fe{sub 11.7}Co{sub 0.3}O{sub 19}) decomposed into three different phases of orthorhombic, spinel, and hexagonal structures after annealing at 1200 °C in nitrogen atmosphere while the non-substituted SrFe{sub 12}O{sub 19} maintained the hexagonal structure after annealing at the same condition. It is suggested that the charge-imbalance substitution of La{sup 3+}/Co{sup 2+} = 1.5 induces phase instability of the M-type structure and it causes the phase transformation during the N{sub 2} annealing. In film experiment, polycrystalline Sr-hexaferrite films (SrFe{sub 12}O{sub 19}) have been prepared by pulsed laser deposition and post-annealing processes. When the film was annealed in vacuum at 500 °C, the magnetization value at the magnetic field H = 15 kOe increased by ∼80% and the coercivity decreased significantly without microstructural change.

  3. Reação de imunofluorescência indireta para detecção de anticorpos anti-Neospora caninum em amostras coletivas de leite Indirect fluorescent antibody test to detection of Neospora caninum antibodies in samples of bulk milk

    Directory of Open Access Journals (Sweden)

    Giovana Camillo

    2011-09-01

    Full Text Available O objetivo deste estudo foi determinar a presença de anticorpos anti-Neospora caninum em amostras coletivas de leite, através da reação de imunofluorescência indireta (RIFI. Para isso, foram coletadas amostras do leite dos tanques refrigerados de 36 rebanhos, das quais foram selecionadas 14 para coletas de amostras individuais de soro sanguíneo e de leite das vacas. Encontrou-se correlação em 12 dos 14 rebanhos selecionados para a amostragem individual dos animais, em comparação à detecção de anticorpos nas amostras coletivas de leite. Foi observada uma concordância de 76% comparando-se o resultado das amostras coletivas com os resultados individuais de leite. Observaram-se baixos títulos de anticorpos (50 no soro sanguíneo dos animais soropositivos, cujos resultados da RIFI no leite coletivo e no sangue foram discordantes. Assim, a partir dos resultados deste estudo, pode-se concluir que a utilização de testes sorológicos para detecção de anticorpos anti-N. caninum em amostras coletivas de leite através da RIFI pode ser uma opção ao diagnóstico para a triagem de rebanhos positivos bem como para estudos epidemiológicos.The aim of this study was to determine the presence of anti-N. caninum in the bulk milk samples by indirect immunofluorescence assay (IFAT. For this, it was collected samples of milk from refrigerated tanks from 36 herds, of which 14 were selected for sampling of individual blood serum and milk of cows. It was found concordance for 12 of the 14 herds selected for samples of individual animals, compared to the detection of antibodies in the bulk milk samples. Concordance was of 76% when comparing the results of the pooled sample with the results of individual milk. It was observed low antibody titers (50 in the serum of animals positive whose results in IFA of bulk milk and blood were discordant. Thus, with the results of this study, it can be concluded that the use of serological tests for detection of

  4. Structural Optimization for Wideband Flexoelectric Energy Harvester Using Bulk Paraelectric Ba0.6Sr0.4TiO3

    Science.gov (United States)

    Kumar, Anuruddh; Chauhan, Aditya; Vaish, Rahul; Kumar, Rajeev; Jain, Satish Chandra

    2018-01-01

    Flexoelectricity is a phenomenon which allows all crystalline dielectric materials to exhibit strain-induced polarization. With recent articles reporting giant flexoelectric coupling coefficients for various ferroelectric materials, this field must be duly investigated for its application merits. In this study, a wide-band linear energy harvesting device has been proposed using Ba0.6Sr0.4TiO3 ceramic. Both structural and material parameters were scrutinized for an optimized approach. Dynamic analysis was performed using finite element modeling to evaluate several important parameters including beam deflection, open circuit voltage and net power output. It was revealed that open circuit voltage and net power output lack correlation. Further, power output lacks a dependency on optimized width ratios, with the highest power output of 0.07 μW being observed for a width ratio of 0.33 closely followed by ratios of 0.2 and 0.5 (˜0.07 μW) each. The resulting power was generated at discrete (resonant) frequencies lacking a broadband structure. A compound design with integrated beams was proposed to overcome this drawback. The finalized design is capable of a maximum power output of >0.04 μW with an operational frequency of 90-110 Hz, thus allowing for a higher power output in a broader frequency range.

  5. The effects of forward speed and depth of conservation tillage on soil bulk density

    Directory of Open Access Journals (Sweden)

    A Mahmoudi

    2015-09-01

    Full Text Available Introduction: In recent years, production techniques and equipment have been developed for conservation of tillage systems that have been adopted by many farmers. With proper management, overall yield averages for conventional and reduced tillage systems are nearly identical. Sometimes, field operations can be combined by connecting two or more implements. Combined operations reduce both fuel consumption, and time and labor requirements by eliminating at least one individual trip over the field. Light tillage, spraying, or fertilizing operations can be combined with either primary or secondary tillage or planting operations. Tillage helps seed growth and germination through providing appropriate conditions for soil to absorb sufficient temperature and humidity. Moreover, it helps easier development of root through reducing soil penetration resistance. Tillage is a time-consuming and expensive procedure. With the application of agricultural operations, we can save substantial amounts of fuel, time and energy consumption. Conservation tillage loosens the soil without turning, but by remaining the plant left overs, stems and roots. Bulk density reflects the soil’s ability to function for structural support, water and solute movement, and soil aeration. Bulk densities above thresholds indicate impaired function. Bulk density is also used to convert between weight and volume of soil. It is used to express soil physical, chemical and biological measurements on a volumetric basis for soil quality assessment and comparisons between management systems. This increases the validity of comparisons by removing the error associated with differences in soil density at the time of sampling. The aim of conservation tillage is to fix the soil structure. This investigation was carried out considering the advantages of conservation tillage and less scientific research works on imported conservation tillage devices and those which are made inside the country

  6. Influence of the dopant concentration on structural, optical and photovoltaic properties of Cu-doped ZnS nanocrystals based bulk heterojunction hybrid solar cells

    Science.gov (United States)

    Jabeen, Uzma; Adhikari, Tham; Shah, Syed Mujtaba; Pathak, Dinesh; Wagner, Tomas; Nunzi, Jean-Michel

    2017-06-01

    Zinc sulphide (ZnS) and Cu-doped ZnS nanoparticles were synthesized by the wet chemical method. The nanoparticles were characterized by UV-visible, fluorescence, fourier transform infra-red (FTIR) spectrometry, X-ray diffraction (XRD), X-ray photoelectron spectrometry (XPS), field emission scanning electron microscopy (FESEM) and high resolution transmission electron microscopy (HRTEM). Scanning electron microscopy supplemented with EDAX was employed to observe the morphology and chemical composition of the un-doped and doped samples. A significant blue shift of the absorption band with respect to the un-doped zinc sulphide was sighted by increasing the Cu concentration in the doped sample with decreasing the size of nanoparticles. Consequently, the band gap was tuned from 3.13 to 3.49 eV due to quantum confinement. The green emission arises from the recombination between the shallow donor level (sulfur vacancy) and the t2 level of Cu2+. However, the fluorescence emission spectrum of the undoped ZnS nanoparticles was deconvoluted into two bands, which are centered at 419 and 468 nm. XRD analysis showed that the nanomaterials were in cubic crystalline state. XRD peaks show that there were no massive crystalline distortions in the crystal lattice when the Cu concentration (0.05-0.1 M) was increased in the ZnS lattice. However, in the case of Cu-doped samples (0.15-0.2 M), the XRD pattern showed an additional peak at 37° due to incomplete substitution occurring during the experimental reaction step. A comparative study of surfaces of undoped and Cu-doped ZnS nanoparticles were investigated using X-ray photoelectron spectroscopy (XPS). The synthesized nanomaterial in combination with poly(3-hexylthiophene) (P3HT) was used in the fabrication of solar cells. The devices with ZnS nanoparticles showed an efficiency of 0.31%. The overall power conversion efficiency of the solar cells at 0.1 M Cu content in doped ZnS nanoparticles was found to be 1.6 times higher than the

  7. Sample Thickness and Structural Changes in Thermo-Oxidative Degradation of Polybutadiene

    Directory of Open Access Journals (Sweden)

    farshid Ziaee

    2012-12-01

    Full Text Available The thermo-oxidative degradation of two viscous liquid resins of 1,2- poly-butadiene  (1,2-PBD and 1,4- polybutadiene  (1,4-PBD have been studied by differential scanning calorimetry (DSC and thermogravimetry analy-sis  (TGA. To  study  further,  the  effect of flm  thickness on oxidation kinetics was periodically studied by tracing the weight of the samples to make comparison with DSC results at constant temperature of 100°C under atmospheric pressure. Finally, the structural changes of 1,4-PBD were investigated by carbon-13 nuclear magnetic resonance spectroscopy (13C NMR. The results from 13C NMR from 1,4-PBD show that after heat treatment new carbon peaks are obtained for an epoxide carbon at 58.6 ppm, an adjacent methylene carbon of epoxide group at 24.0 ppm and a peroxide methine carbon group at 86.7 ppm. The results from TGA and DSC studies conclude that 1,2-PBD do not age due to its structure. The results from NMR spectroscopy indicate that besides structural changes, increase in mass is due to radical addition to double bond while, epoxide groups are one of major products of thermal oxidation which can be identifed from their 13 C NMR peaks.

  8. Atomic structure of Zr{sub 41.2}Ti{sub 13.8}Cu{sub 12.5}Ni{sub 10}Be{sub 22.5} bulk metallic glass alloy

    Energy Technology Data Exchange (ETDEWEB)

    Hui, X. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China)], E-mail: huixd01@hotmail.com; Fang, H.Z.; Chen, G.L. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Shang, S.L.; Wang, Y. [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Qin, J.Y. [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University - Southern Campus, Jinan 250061 (China); Liu, Z.K. [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States)

    2009-01-15

    Ab initio molecular dynamics (AIMD) calculations were performed on the atomic configuration of Zr{sub 41.2}Ti{sub 13.8}Cu{sub 12.5}Ni{sub 10}Be{sub 22.5} bulk metallic glass. The local structures were characterized in terms of structure factors (SF), pair correlation functions (PCF), coordinate numbers, bond pairs and Voronoi polyhedra. The glass transition temperature, generalized PCF and SF predicated by AIMD are in good agreement with the experimental data. Icosahedral short-range orders (ISRO) are found to be the most dominant, in view of the presence of the majority of bond pairs with 1551, 1541 and 1431, and Voronoi polyhedra with <0,3,6,1>, <0,2,8,1>, <0,0,12,0> and <0,2,8,4>. Icosahedral medium range orders (IMROs) are formed from icosahedra via the linkage of vertex-, edge-, face- and intercross-shared atoms. The glass structure on the nanometer scale is accumulated by polyhedra through an efficient packing mode. It is suggested that the extraordinary glass-forming ability of this alloy is essentially attributable to the formation of ISRO and IMRO, and the dense packing of atoms.

  9. Analytical and numerical analysis of charge carriers extracted by linearly increasing voltage in a metal-insulator-semiconductor structure relevant to bulk heterojunction organic solar cells

    Science.gov (United States)

    Yumnam, Nivedita; Hirwa, Hippolyte; Wagner, Veit

    2017-12-01

    Analysis of charge extraction by linearly increasing voltage is conducted on metal-insulator-semiconductor capacitors in a structure relevant to organic solar cells. For this analysis, an analytical model is developed and is used to determine the conductivity of the active layer. Numerical simulations of the transient current were performed as a way to confirm the applicability of our analytical model and other analytical models existing in the literature. Our analysis is applied to poly(3-hexylthiophene)(P3HT) : phenyl-C61-butyric acid methyl ester (PCBM) which allows to determine the electron and hole mobility independently. A combination of experimental data analysis and numerical simulations reveals the effect of trap states on the transient current and where this contribution is crucial for data analysis.

  10. The structure of psychological life satisfaction: insights from farmers and a general community sample in Australia

    Science.gov (United States)

    2012-01-01

    Background Psychological life satisfaction is a robust predictor of wellbeing. Public health measures to improve wellbeing would benefit from an understanding of how overall life satisfaction varies as a function of satisfaction with multiple life domains, an area that has been little explored. We examine a sample of drought-affected Australian farmers and a general community sample of Australians to investigate how domain satisfaction combines to form psychological satisfaction. In particular, we introduce a way of statistically testing for the presence of “supra-domains” of satisfaction to propose a novel way of examining the composition of psychological life satisfaction to gain insights for health promotion and policy. Methods Covariance between different perceptions of life domain satisfaction was identified by conducting correlation, regression, and exploratory factor analyses on responses to the Personal Wellbeing Index. Structural equations modelling was then used to (a) validate satisfaction supra-domain constructs emerging from different perceptions of life domain satisfaction, and (b) model relationships between supra-domains and an explicit measure of psychological life satisfaction. Results Perceived satisfaction with eight different life domains loaded onto a single unitary satisfaction construct adequately in each sample. However, in both samples, different domains better loaded onto two separate but correlated constructs (‘supra-domains’): “satisfaction with connectedness” and “satisfaction with efficacy”. Modelling reciprocal pathways between these supra-domains and an explicit measure of psychological life satisfaction revealed that efficacy mediated the link between connectedness and psychological satisfaction. Conclusions If satisfaction with connectedness underlies satisfaction with efficacy (and thus psychological satisfaction), a novel insight for health policy emerges: psychological life satisfaction, a vital part of

  11. The structure of psychological life satisfaction: insights from farmers and a general community sample in Australia

    Directory of Open Access Journals (Sweden)

    OBrien Léan V

    2012-11-01

    Full Text Available Abstract Background Psychological life satisfaction is a robust predictor of wellbeing. Public health measures to improve wellbeing would benefit from an understanding of how overall life satisfaction varies as a function of satisfaction with multiple life domains, an area that has been little explored. We examine a sample of drought-affected Australian farmers and a general community sample of Australians to investigate how domain satisfaction combines to form psychological satisfaction. In particular, we introduce a way of statistically testing for the presence of “supra-domains” of satisfaction to propose a novel way of examining the composition of psychological life satisfaction to gain insights for health promotion and policy. Methods Covariance between different perceptions of life domain satisfaction was identified by conducting correlation, regression, and exploratory factor analyses on responses to the Personal Wellbeing Index. Structural equations modelling was then used to (a validate satisfaction supra-domain constructs emerging from different perceptions of life domain satisfaction, and (b model relationships between supra-domains and an explicit measure of psychological life satisfaction. Results Perceived satisfaction with eight different life domains loaded onto a single unitary satisfaction construct adequately in each sample. However, in both samples, different domains better loaded onto two separate but correlated constructs (‘supra-domains’: “satisfaction with connectedness” and “satisfaction with efficacy”. Modelling reciprocal pathways between these supra-domains and an explicit measure of psychological life satisfaction revealed that efficacy mediated the link between connectedness and psychological satisfaction. Conclusions If satisfaction with connectedness underlies satisfaction with efficacy (and thus psychological satisfaction, a novel insight for health policy emerges: psychological life satisfaction

  12. Mechanical properties of Fe-Ni-Cr-Si-B bulk glassy alloy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kee Ahn [School of Advanced Materials Engineering, Andong National University, Andong 760-749 (Korea, Republic of)]. E-mail: keeahn@andong.ac.kr; Kim, Yong Chan [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of); Kim, Jung Han [Center for Advanced Aerospace materials, POSTECH, Pohang 790-784 (Korea, Republic of); Lee, Chong Soo [Center for Advanced Aerospace materials, POSTECH, Pohang 790-784 (Korea, Republic of); Namkung, Jung [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of); Kim, Moon Chul [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of)

    2007-03-25

    The mechanical properties and crystallization behavior of new Fe-Ni-Cr-Si-B-based bulk glassy alloys were investigated. The suitability of the continuous roll casting method for the production of bulk metallic glass (BMG) sheets in such alloy systems was also examined. BMG samples (Fe-Ni-Cr-Si-B, Fe-Ni-Zr-Cr-Si-B, Fe-Ni-Zr-Cr-W-Si-B) in amorphous strip, cylindrical, and sheet forms were prepared through melt spinning, copper mold casting, and twin roll strip casting, respectively. Fe-Ni-Cr-Si-B alloy exhibited compressive strength of up to 2.93 GPa and plastic strain of about 1.51%. On the other hand, the Fe-Ni-Zr-Cr-Si-B, composite-type bulk sample with diameter of 2.0 mm showed remarkable compressive plastic strain of about 4.03%. The addition of zirconium was found to enhance the homogeneous precipitation of nanocrystalline less than 7 nm and to develop a hybrid-composite microstructure with increasing sample thickness. Twin roll strip casting was successfully applied to the fabrication of sheets in Fe-Ni-Cr-Si-B-based BMGs. The combined characteristics of high mechanical properties and ease of microstructure control proved to be promising in terms of the future progress of structural bulk amorphous alloys.

  13. Quantitation of 11 alkylamines in atmospheric samples: separating structural isomers by ion chromatography

    Science.gov (United States)

    Place, Bryan K.; Quilty, Aleya T.; Di Lorenzo, Robert A.; Ziegler, Susan E.; VandenBoer, Trevor C.

    2017-03-01

    Amines are important drivers in particle formation and growth, which have implications for Earth's climate. In this work, we developed an ion chromatographic (IC) method using sample cation-exchange preconcentration for separating and quantifying the nine most abundant atmospheric alkylamines (monomethylamine (MMAH+), dimethylamine (DMAH+), trimethylamine (TMAH+), monoethylamine (MEAH+), diethylamine (DEAH+), triethylamine (TEAH+), monopropylamine (MPAH+), isomonopropylamine (iMPAH+), and monobutylamine (MBAH+)) and two alkyl diamines (1, 4-diaminobutane (DABH+) and 1, 5-diaminopentane (DAPH+)). Further, the developed method separates the suite of amines from five common atmospheric inorganic cations (Na+, NH4+, K+, Mg2+, Ca2+). All 16 cations are greater than 95 % baseline resolved and elute in a runtime of 35 min. This paper describes the first successful separation of DEAH+ and TMAH+ by IC and achieves separation between three sets of structural isomers, providing specificity not possible by mass spectrometry. The method detection limits for the alkylamines are in the picogram per injection range and the method precision (±1σ) analyzed over 3 months was within 16 % for all the cations. The performance of the IC method for atmospheric application was tested with biomass-burning (BB) particle extracts collected from two forest fire plumes in Canada. In extracts of a size-resolved BB sample from an aged plume, we detected and quantified MMAH+, DMAH+, TMAH+, MEAH+, DEAH+, and TEAH+ in the presence of Na+, NH4+, and K+ at molar ratios of amine to inorganic cation ranging from 1 : 2 to 1 : 1000. Quantities of DEAH+ and DMAH+ of 0.2-200 and 3-1200 ng m-3, respectively, were present in the extracts and an unprecedented amine-to-ammonium molar ratio greater than 1 was observed in particles with diameters spanning 56-180 nm. Extracts of respirable fine-mode particles (PM2. 5) from a summer forest fire in British Columbia in 2015 were found to contain iMPAH+, TMAH+, DEAH

  14. Effect of Applied Stress on the Mechanical Properties of a Zr-Cu-Ag-Al Bulk Metallic Glass with Two Different Structure States.

    Science.gov (United States)

    Chen, Heng; Zhang, Taihua; Ma, Yi

    2017-06-27

    In order to investigate the effect of applied stress on mechanical properties in metallic glasses, nanoindentation tests were conducted on elastically bent Zr-Cu-Ag-Al metallic glasses with two different structure states. From spherical P-h curves, elastic modulus was found to be independent on applied stress. Hardness decreased by ~8% and ~14% with the application of 1.5% tensile strain for as-cast and 650 K annealed specimens, while it was slightly increased at the compressive side. Yield stress could be obtained from the contact pressure at first pop-in position with a conversion coefficient. The experimental result showed a symmetrical effect of applied stress on strengthening and a reduction of the contact pressure at compressive and tensile sides. It was observed that the applied stress plays a negligible effect on creep deformation in as-cast specimen. While for the annealed specimen, creep deformation was facilitated by applied tensile stress and suppressed by applied compressive stress. Strain rate sensitivities (SRS) were calculated from steady-state creep, which were constant for as-cast specimen and strongly correlated with applied stress for the annealed one. The more pronounced effect of applied stress in the 650 K annealed metallic glass could be qualitatively explained through the variation of the shear transformation zone (STZ) size.

  15. Effects of working pressure and annealing on bulk density and nanopore structures in amorphous In-Ga-Zn-O thin-film transistors

    Science.gov (United States)

    Ide, Keisuke; Kikuchi, Mitsuho; Ota, Masato; Sasase, Masato; Hiramatsu, Hidenori; Kumomi, Hideya; Hosono, Hideo; Kamiya, Toshio

    2017-03-01

    Microstructures of amorphous In-Ga-Zn-O (a-IGZO) thin films of different densities were analyzed. Device-quality a-IGZO films were deposited under optimum conditions, e.g., the total pressure P tot = 0.55 Pa produced high film densities of ˜6.1 g/cm3, while a very high P tot = 5.0 Pa produced low film densities of 5.5 g/cm3. Both films formed uniform high-density layers in the vicinity of the glass substrate, 10-20 nm in thickness depending on P tot, while their growth mode changed to a sparse columnar structure in thicker regions. X-ray reflectivity and in situ spectroscopic ellipsometry provided different results on densification by post deposition thermal annealing; i.e., the latter has a higher sensitivity. High-Z-contrast images obtained by high-angle annular dark-field scanning transmission electron microscopy were also useful for detecting nanometer-size non uniformity even in device-quality a-IGZO films.

  16. Structure and Mechanical Properties of the AlSi10Mg Alloy Samples Manufactured by Selective Laser Melting

    Science.gov (United States)

    Li, Xiaodan; Ni, Jiaqiang; Zhu, Qingfeng; Su, Hang; Cui, Jianzhong; Zhang, Yifei; Li, Jianzhong

    2017-11-01

    The AlSi10Mg alloy samples with the size of 14×14×91mm were produced by the selective laser melting (SLM) method in different building direction. The structures and the properties at -70°C of the sample in different direction were investigated. The results show that the structure in different building direction shows different morphology. The fish scale structures distribute on the side along the building direction, and the oval structures distribute on the side vertical to the building direction. Some pores in with the maximum size of 100 μm exist of the structure. And there is no major influence for the build orientation on the tensile properties. The tensile strength and the elongation of the sample in the building direction are 340 Mpa and 11.2 % respectively. And the tensile strength and the elongation of the sample vertical to building direction are 350 Mpa and 13.4 % respectively

  17. Validity of internal structure of the Competitive State Anxiety Inventory in a Brazilian sample

    Directory of Open Access Journals (Sweden)

    Daniel Bartholomeu

    2014-06-01

    Full Text Available This study investigated internal structure validity of the CSAI-2. The sample comprised 172 in Brazilian athletes, both sexes and ages ranging from 14 to 58 years. The athletes attended to the following sports: basketball, soccer, handball, volleyball and jiu-jitsu. The CSAI-2 was collectively applied before training. Initially a confirmatory factor analysis was done, but the data did not fit the model. Then, an exploratory factor analysis was conducted and, although the parallel analysis pointed out the adequacy of a two factor model, the three factor model was the one that best explained the test's theory, with some items excluded from the analysis. The factor's precision was taken by means of Cronbach's alpha and item-total correlation index and showed good results.

  18. Sample-angle feedback for diffraction anomalous fine-structure spectroscopy

    International Nuclear Information System (INIS)

    Cross, J.O.; Elam, W.T.; Harris, V.G.; Kirkland, J.P.; Bouldin, C.E.; Sorensen, L.B.

    1998-01-01

    Diffraction anomalous fine-structure (DAFS) experiments measure Bragg peak intensities as continuous functions of photon energy near a core-level excitation. Measuring the integrated intensity at each energy makes the experiments prohibitively slow; however, in many cases DAFS can be collected quickly by measuring only the peak intensity at the center of the rocking curve. A piezoelectric-actuator-driven stage has been designed and tested as part of a sample-angle feedback circuit for locking onto the maximum of the rocking curve while the energy is scanned. Although software peak-tracking requires only a simple calculation of diffractometer angles, it is found that the additional hardware feedback dramatically improves the reproducibility of the data

  19. Sex Estimation From Modern American Humeri and Femora, Accounting for Sample Variance Structure

    DEFF Research Database (Denmark)

    Boldsen, J. L.; Milner, G. R.; Boldsen, S. K.

    2015-01-01

    Objectives: A new procedure for skeletal sex estimation based on humeral and femoral dimensions is presented, based on skeletons from the United States. The approach specifically addresses the problem that arises from a lack of variance homogeneity between the sexes, taking into account prior...... several decades. Results: For measurements individually and collectively, the probabilities of being one sex or the other were generated for samples with an equal distribution of males and females, taking into account the variance structure of the original measurements. The combination providing the best...... estimates correctly classifies 88.3% of the skeletons, with 10.8% considered unknown and 0.9% assigned to the wrong sex. Discussion: Probabilities of correct assignments are a better means of categorizing individuals as male or female than the sectioning points commonly used in skeletal studies...

  20. Study of graphitic microstructure formation in diamond bulk by pulsed Bessel beam laser writing

    Science.gov (United States)

    Kumar, S.; Sotillo, B.; Chiappini, A.; Ramponi, R.; Di Trapani, P.; Eaton, S. M.; Jedrkiewicz, O.

    2017-11-01

    The advantages of using Bessel beams for the generation of graphitic structures in diamond bulk are presented. We show that by irradiating the sample with a pulsed Bessel beam whose non-diffracting zone is of the same order of the sample thickness, it is possible to produce without any sample translation straight graphitic through-microstructures, whose size depends on the input pulse energy. The microstructure growth is investigated as a function of the number of irradiating pulses, and the femtosecond and picosecond regimes are contrasted.

  1. Bulk Expansion Effect of Gallium-Based Thermal Interface Material

    Science.gov (United States)

    Ding, Yujie; Deng, Zhongshan; Cai, Changli; Yang, Zejun; Yang, Yingbao; Lu, Jinrong; Gao, Yunxia; Liu, Jing

    2017-06-01

    The bulk expansion effect of gallium-based thermal interface materials (GBTIMs) was experimentally disclosed and clarified for the first time. GBTIMs were prepared under low (26 %) and high (96 %) relative humidity for a short (2 h) and long (5 h) time periods. An evident volume expansion phenomenon was observed with adequate humidity. Higher humidity resulted in bigger expansion rate and expansion coefficient. The expansion coefficient could reach surprisingly large value of 1.5 for GBTIMs under 96% relative humidity. Assuming that the volume change was related to chemical reactions in the mixture, SEM and XRD were adopted to determine the structure and phase components of the samples. The gases produced in the expansion process were detected with gas chromatography and a large amount of hydrogen was found. The results indicated that the hydrogen produced by the reaction between gallium oxide \\hbox {Ga}2\\hbox {O} and water in GBTIMs caused the expansion effect. The corroded GBTIMs were mainly composed of gallium oxide \\hbox {Ga}2\\hbox {O}3 and became loose and porous solids after expansion. Thermal conductivity decreased dramatically after the expansion process due to the composition and structure changes. From the view point of application, the ambient humidity and oxidation degree must be controlled during preparation of such thermal interface material to avoid its bulk expansion effect.

  2. Structural brain development between childhood and adulthood: Convergence across four longitudinal samples.

    Science.gov (United States)

    Mills, Kathryn L; Goddings, Anne-Lise; Herting, Megan M; Meuwese, Rosa; Blakemore, Sarah-Jayne; Crone, Eveline A; Dahl, Ronald E; Güroğlu, Berna; Raznahan, Armin; Sowell, Elizabeth R; Tamnes, Christian K

    2016-11-01

    Longitudinal studies including brain measures acquired through magnetic resonance imaging (MRI) have enabled population models of human brain development, crucial for our understanding of typical development as well as neurodevelopmental disorders. Brain development in the first two decades generally involves early cortical grey matter volume (CGMV) increases followed by decreases, and monotonic increases in cerebral white matter volume (CWMV). However, inconsistencies regarding the precise developmental trajectories call into question the comparability of samples. This issue can be addressed by conducting a comprehensive study across multiple datasets from diverse populations. Here, we present replicable models for gross structural brain development between childhood and adulthood (ages 8-30years) by repeating analyses in four separate longitudinal samples (391 participants; 852 scans). In addition, we address how accounting for global measures of cranial/brain size affect these developmental trajectories. First, we found evidence for continued development of both intracranial volume (ICV) and whole brain volume (WBV) through adolescence, albeit following distinct trajectories. Second, our results indicate that CGMV is at its highest in childhood, decreasing steadily through the second decade with deceleration in the third decade, while CWMV increases until mid-to-late adolescence before decelerating. Importantly, we show that accounting for cranial/brain size affects models of regional brain development, particularly with respect to sex differences. Our results increase confidence in our knowledge of the pattern of brain changes during adolescence, reduce concerns about discrepancies across samples, and suggest some best practices for statistical control of cranial volume and brain size in future studies. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

  3. Factor structure of the Cannabis Experiences Questionnaire in a first-episode psychosis sample.

    Science.gov (United States)

    Birnbaum, Michael L; Cleary, Sean D; Ramsay Wan, Claire; Pauselli, Luca; Compton, Michael T

    2017-10-20

    The Cannabis Experiences Questionnaire (CEQ) was developed to measure the subjective experiences of cannabis use both during and after intoxication. Despite the need to better understand the nature of the complex and significant relationship between cannabis use and early psychosis, this questionnaire has rarely been used in individuals with first-episode psychosis. We conducted a set of factor analyses using CEQ data from 194 first-episode psychosis patients who used cannabis in order to uncover the underlying factor structure of the questionnaire and thus the overarching types of psychological experiences during/after using cannabis in young people with psychotic disorders. Our exploratory factor analysis identified 4 subscales, including: Distortions of Reality and Self-Perception (Factor 1), Euphoria Effects (Factor 2), Slowing and Amotivational Effects (Factor 3), and Anxiety and Paranoia Effects (Factor 4). Elucidating the underlying factor structure of the CEQ in first-episode psychosis samples could help researchers move towards a deeper understanding of the types of experiences associated with cannabis intoxication among young adults with first-episode psychosis and could inform the development of programs designed to reduce use, improve the course of illness, and possibly delay or prevent the onset of psychotic symptoms in those at risk. © 2017 John Wiley & Sons Australia, Ltd.

  4. The factor structure of the CES-D in a sample of Rwandan genocide survivors.

    Science.gov (United States)

    Lacasse, Justin J; Forgeard, Marie J C; Jayawickreme, Nuwan; Jayawickreme, Eranda

    2014-03-01

    Past research suggests that culture shapes the way psychopathology is experienced and expressed. Standard psychiatric assessment instruments may therefore not capture the same underlying constructs in different contexts. The present study investigated the factor structure of a standard depression scale in a sample of Rwandan genocide survivors. One hundred ninety six Rwandan adults provided socio-demographic information and completed the Center for Epidemiological Studies-Depression scale (CES-D), one of the most widely used self-report instruments assessing depressive symptoms, as part of a larger study on well-being and mental health in Rwanda. A two-factor solution provided the best fit for these CES-D data. The first factor corresponded to general depressive symptoms (including depressed affect, somatic symptoms, and interpersonal concerns) and explained 37.20% of the variance. The second factor included items assessing positive affect and explained 8.68% of the variance. The two-factor solution found in the present study deviates from the commonly reported four-factor structure, but is consistent with studies showing that depressed affect and somatic symptoms may not be experienced as distinct in certain non-Western and minority cultural groups.

  5. Particles, contacts, bulk behavior

    NARCIS (Netherlands)

    Luding, Stefan; Tomas, J.

    2014-01-01

    Granular matter consists of discrete “particles”. These can be separate sand-grains, agglomerates (made of many primary particles), or solid materials like rock, composites, or metal-alloys—all with particulate inhomogeneous, possibly anisotropic micro-structure. Particles can be as small as

  6. Characterization and bulk properties of oxides

    International Nuclear Information System (INIS)

    Sonder, E.; Connolly, T.F.

    1979-06-01

    The bulk properties of oxides are divided into two classes, intrinsic properties which depend solely on the identity of the material, and extrinsic ones, which differ for different samples of the same compound. Sources of tabulated numerical values of intrinsic properties are given and modern developments in information storage and retrieval are discussed. Extrinsic properties are shown to depend on defects and trace impurities in the samples. Techniques of trace impurity analysis are discussed and realistic limits of detection and accuracies are given for routine analyses

  7. Active neutron multiplicity counting of bulk uranium

    International Nuclear Information System (INIS)

    Ensslin, N.; Krick, M.S.; Langner, D.G.; Miller, M.C.

    1991-01-01

    This paper describes a new nondestructive assay technique being developed to assay bulk uranium containing kilogram quantities of 235 U. The new technique uses neutron multiplicity analysis of data collected with a coincidence counter outfitted with AmLi neutron sources. We have calculated the expected neutron multiplicity count rate and assay precision for this technique and will report on its expected performance as a function of detector design characteristics, 235 U sample mass, AmLi source strength, and source-to-sample coupling. 11 refs., 2 figs., 2 tabs

  8. Sampling season affects conclusions on soil arthropod community structure responses to metal pollution in Mediterranean urban soils

    NARCIS (Netherlands)

    Santorufo, L.; van Gestel, C.A.M.; Maisto, G.

    2014-01-01

    This study aimed to assess if the period of sampling affected conclusions on the responses of arthropod community structure to metal pollution in urban soils in the Mediterranean area. Higher temperature and lower precipitation were detected in autumn than in spring. In both samplings, the most

  9. Control over magnetic properties in bulk hybrid materials

    Science.gov (United States)

    Urban, Christian; Quesada, Adrian; Saerbeck, Thomas; Rubia, Miguel Angel De La; Garcia, Miguel Angel; Fernandez, Jose Francisco; Schuller, Ivan K.; UCSD Collaboration; Instituto de Ceramica, Madrid Collaboration; Institut Laue-Langevin, Grenoble Collaboration

    We present control of coercivity and remanent magnetization of a bulk ferromagnetic material embedded in bulk vanadium sesquioxide (V2O3) by using a standard bulk synthesis procedure. The method generalizes the use of structural phase transitions of one material to control structural and magnetic properties of another. A structural phase transition (SPT) in the V2O3 host material causes magnetic properties of Ni to change as function of temperature. The remanent magnetization and the coercivity are reversibly controlled by the SPT without additional external magnetic fields. The reversible tuning shown here opens the pathway for controlling the properties of a vast variety of magnetic hybrid bulk systems. This Work is supported by the Office of Basic Energy Science, U.S. Department of Energy, BES-DMS funded by the Department of Energy's Office of Basic Energy Science, DMR under grant DE FG02 87ER-45332.

  10. Studies on bulk growth, structural and microstructural ...

    Indian Academy of Sciences (India)

    3Department of Physics and Nanotechnology, Faculty of Engineering and Technology, SRM University, Kattankulathur. 603 203, India. MS received 29 February 2012; revised 1 April 2013. Abstract. .... been made on construction of furnace, translation set up and ampoule design. Furnace employed in this work was made.

  11. Studies on bulk growth, structural and microstructural ...

    Indian Academy of Sciences (India)

    Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu, India; Ray and Crystal Growth Section, National Physical Laboratory, New Delhi 110 012, India; Department of Physics and Nanotechnology, Faculty of Engineering and Technology, SRM University, Kattankulathur 603 203, India ...

  12. Carbon nanotubes grown on bulk materials and methods for fabrication

    Science.gov (United States)

    Menchhofer, Paul A [Clinton, TN; Montgomery, Frederick C [Oak Ridge, TN; Baker, Frederick S [Oak Ridge, TN

    2011-11-08

    Disclosed are structures formed as bulk support media having carbon nanotubes formed therewith. The bulk support media may comprise fibers or particles and the fibers or particles may be formed from such materials as quartz, carbon, or activated carbon. Metal catalyst species are formed adjacent the surfaces of the bulk support material, and carbon nanotubes are grown adjacent the surfaces of the metal catalyst species. Methods employ metal salt solutions that may comprise iron salts such as iron chloride, aluminum salts such as aluminum chloride, or nickel salts such as nickel chloride. Carbon nanotubes may be separated from the carbon-based bulk support media and the metal catalyst species by using concentrated acids to oxidize the carbon-based bulk support media and the metal catalyst species.

  13. Bulk viscosity of spin-one color superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Sa' d, Basil A.

    2009-08-27

    The bulk viscosity of several quark matter phases is calculated. It is found that the effect of color superconductivity is not trivial, it may suppress, or enhance the bulk viscosity depending on the critical temperature and the temperature at which the bulk viscosity is calculated. Also, is it found that the effect of neutrino-emitting Urca processes cannot be neglected in the consideration of the bulk viscosity of strange quark matter. The results for the bulk viscosity of strange quark matter are used to calculate the r-mode instability window of quark stars with several possible phases. It is shown that each possible phase has a different structure for the r-mode instability window. (orig.)

  14. Localization of fluorescently labeled structures in frozen-hydrated samples using integrated light electron microscopy.

    Science.gov (United States)

    Faas, F G A; Bárcena, M; Agronskaia, A V; Gerritsen, H C; Moscicka, K B; Diebolder, C A; van Driel, L F; Limpens, R W A L; Bos, E; Ravelli, R B G; Koning, R I; Koster, A J

    2013-03-01

    Correlative light and electron microscopy is an increasingly popular technique to study complex biological systems at various levels of resolution. Fluorescence microscopy can be employed to scan large areas to localize regions of interest which are then analyzed by electron microscopy to obtain morphological and structural information from a selected field of view at nm-scale resolution. Previously, an integrated approach to room temperature correlative microscopy was described. Combined use of light and electron microscopy within one instrument greatly simplifies sample handling, avoids cumbersome experimental overheads, simplifies navigation between the two modalities, and improves the success rate of image correlation. Here, an integrated approach for correlative microscopy under cryogenic conditions is presented. Its advantages over the room temperature approach include safeguarding the native hydrated state of the biological specimen, preservation of the fluorescence signal without risk of quenching due to heavy atom stains, and reduced photo bleaching. The potential of cryo integrated light and electron microscopy is demonstrated for the detection of viable bacteria, the study of in vitro polymerized microtubules, the localization of mitochondria in mouse embryonic fibroblasts, and for a search into virus-induced intracellular membrane modifications within mammalian cells. Copyright © 2012 Elsevier Inc. All rights reserved.

  15. Bulk immunoassays for analysis of extracellular vesicles.

    Science.gov (United States)

    Coumans, Frank A W; Gool, Elmar L; Nieuwland, Rienk

    2017-05-01

    There is increasing clinical interest in extracellular vesicles (EV) for diagnostic and treatment purposes. This review provides an overview of bulk immunoassays to analyse EV. Western blot and enzyme-linked immunosorbent assay are still the two predominant bulk immunoassays. Recently, new assays have become available that can detect exposure to EV concentrations that are up to 10,000-fold lower. This is advantageous for applications that detect rare EV. Other important parameters are the detectable concentration range, the required sample volume, whether simultaneous presence of different antigens on a single EV can be detected, size selectivity of each assay and practical considerations. In this review, we will explain the working principles of the traditional and novel assays together with their performance parameters. The most sensitive assays are micro-nuclear magnetic resonance, surface plasmon resonance, and time-resolved fluorescent immunoassay.

  16. The Work Role Functioning Questionnaire v2.0 Showed Consistent Factor Structure Across Six Working Samples.

    Science.gov (United States)

    Abma, Femke I; Bültmann, Ute; Amick Iii, Benjamin C; Arends, Iris; Dorland, Heleen F; Flach, Peter A; van der Klink, Jac J L; van de Ven, Hardy A; Bjørner, Jakob Bue

    2017-09-09

    Objective The Work Role Functioning Questionnaire v2.0 (WRFQ) is an outcome measure linking a persons' health to the ability to meet work demands in the twenty-first century. We aimed to examine the construct validity of the WRFQ in a heterogeneous set of working samples in the Netherlands with mixed clinical conditions and job types to evaluate the comparability of the scale structure. Methods Confirmatory factor and multi-group analyses were conducted in six cross-sectional working samples (total N = 2433) to evaluate and compare a five-factor model structure of the WRFQ (work scheduling demands, output demands, physical demands, mental and social demands, and flexibility demands). Model fit indices were calculated based on RMSEA ≤ 0.08 and CFI ≥ 0.95. After fitting the five-factor model, the multidimensional structure of the instrument was evaluated across samples using a second order factor model. Results The factor structure was robust across samples and a multi-group model had adequate fit (RMSEA = 0.63, CFI = 0.972). In sample specific analyses, minor modifications were necessary in three samples (final RMSEA 0.055-0.080, final CFI between 0.955 and 0.989). Applying the previous first order specifications, a second order factor model had adequate fit in all samples. Conclusion A five-factor model of the WRFQ showed consistent structural validity across samples. A second order factor model showed adequate fit, but the second order factor loadings varied across samples. Therefore subscale scores are recommended to compare across different clinical and working samples.

  17. 9 CFR 113.10 - Testing of bulk material for export or for further manufacture.

    Science.gov (United States)

    2010-01-01

    ... 9 Animals and Animal Products 1 2010-01-01 2010-01-01 false Testing of bulk material for export or... VECTORS STANDARD REQUIREMENTS Applicability § 113.10 Testing of bulk material for export or for further... provided in § 114.3(d) of this subchapter, samples of the bulk material shall be subjected to all required...

  18. Sampling and Analysis Plan for Release of the 105-C Below-Grade Structures and Underlying Soils

    International Nuclear Information System (INIS)

    Bauer, R.G.

    1998-02-01

    This sampling and analysis plan (SAP) presents the rationale and strategies for the sampling, field measurements, and analyses of the below-grade concrete structures from the Hanford 105-C Reactor Building and the underlying soils consistent with the land-use assumptions in the Record of Decision for the U.S. Department of Energy 100-BC-1, 100-DR-1, and 100-HR-1 Operable Units (ROD) (EPA 1995). This structure is one of nine surplus production reactors in the 100 Area of the Hanford Site. This SAP is based on the data quality objectives developed for the 105-C below-grade structures and underlying soils (BHI 1997)

  19. Low temperature magnetic structure of CeRhIn5 by neutron diffraction on absorption-optimized samples.

    Science.gov (United States)

    Fobes, D M; Bauer, E D; Thompson, J D; Sazonov, A; Hutanu, V; Zhang, S; Ronning, F; Janoschek, M

    2017-05-04

    Two aspects of the ambient pressure magnetic structure of heavy fermion material CeRhIn 5 have remained under some debate since its discovery: whether the structure is indeed an incommensurate helix or a spin density wave, and what is the precise magnitude of the ordered magnetic moment. By using a single crystal sample optimized for hot neutrons to minimize neutron absorption by Rh and In, here we report an ordered moment of [Formula: see text]. In addition, by using spherical neutron polarimetry measurements on a similar single crystal sample, we have confirmed the helical nature of the magnetic structure, and identified a single chiral domain.

  20. Comparison of UV and visible Raman spectroscopy of bulk metal molybdate and metal vanadate catalysts.

    Science.gov (United States)

    Tian, Hanjing; Wachs, Israel E; Briand, Laura E

    2005-12-15

    The visible (532 and 442 nm) and UV (325 nm) Raman spectra of bulk mixed metal oxides (metal molybdates and metal vanadates) were compared on the same spectrometer, for the first time, to allow examination of how varying the excitation energy from visible to UV affects the resulting Raman spectra. The quality of the Raman spectra was found to be a strong function of the absorption properties of the bulk mixed oxide. For bulk mixed metal oxides that absorb weakly in the visible and UV regions, both the visible and UV Raman spectra were of high quality and exhibit identical vibrational bands, but with slightly different relative intensities. For bulk mixed metal oxides that absorb strongly in the UV and visible regions and/or strongly in the UV and weakly in the visible regions, the visible Raman spectra are much richer in structural information and of higher resolution than the corresponding UV Raman spectra. This is a consequence of the strong UV absorption that significantly reduces the sampling volume and number of scatterers giving rise to the Raman signal. The shallower escape depth of UV Raman, however, was not sufficient to detect vibrations from the surface metal oxide species that are present on the outermost surface layer of these crystalline mixed metal oxide phases as previously suggested. It was also demonstrated that there is no sample damage by the more energetic UV excitation when very low laser powers and fast detectors are employed, thus avoiding the need of complicated fluidized bed sample arrangements sometimes used for UV Raman investigations. The current comparative Raman investigation carefully documents, for the first time, the advantages and disadvantages of applying different excitation energies in collecting Raman spectra of bulk mixed metal oxide materials.

  1. Contrasting effects of sampling scale on insect herbivores distribution in response to canopy structure

    Directory of Open Access Journals (Sweden)

    Frederico S. Neves

    2013-03-01

    Full Text Available Species diversity of insect herbivores associated to canopy may vary local and geographically responding to distinct factors at different spatial scales. The aim of this study was to investigate how forest canopy structure affects insect herbivore species richness and abundance depending on feeding guilds´ specificities. We tested the hypothesis that habitat structure affects insect herbivore species richness and abundance differently to sap-sucking and chewing herbivore guilds. Two spatial scales were evaluated: inside tree crowns (fine spatial scale and canopy regions (coarse spatial scale. In three sampling sites we measured 120 tree crowns, grouped in five points with four contiguous tree crowns. Insects were sampled by beating method from each crown and data were summed up for analyzing each canopy region. In crowns (fine spatial scale we measured habitat structure: trunk circumference, tree height, canopy depth, number of ramifications and maximum ramification level. In each point, defined as a canopy region (coarse spatial scale, we measured habitat structure using a vertical cylindrical transect: tree species richness, leaf area, sum of strata heights and maximum canopy height. A principal component analysis based on the measured variables for each spatial scale was run to estimate habitat structure parameters. To test the effects of habitat structure upon herbivores, different general linear models were adjusted using the first two principal components as explanatory variables. Sap-sucking insect species richness and all herbivore abundances increased with size of crown at fine spatial scale. On the other hand, chewer species richness and abundance increased with resource quantity at coarse scale. Feeding specialization, resources availability, and agility are discussed as ecological causes of the found pattern.La diversidad de especies de insectos herbívoros asociados con el dosel puede variar geográficamente y responder a distintos

  2. Exploring the hierarchical structure of the MMPI-2-RF Personality Psychopathology Five in psychiatric patient and university student samples.

    Science.gov (United States)

    Bagby, R Michael; Sellbom, Martin; Ayearst, Lindsay E; Chmielewski, Michael S; Anderson, Jaime L; Quilty, Lena C

    2014-01-01

    In this study our goal was to examine the hierarchical structure of personality pathology as conceptualized by Harkness and McNulty's (1994) Personality Psychopathology Five (PSY-5) model, as recently operationalized by the MMPI-2-RF (Ben-Porath & Tellegen, 2011) PSY-5r scales. We used Goldberg's (2006) "bass-ackwards" method to obtain factor structure using PSY-5r item data, successively extracting from 1 to 5 factors in a sample of psychiatric patients (n = 1,000) and a sample of university undergraduate students (n = 1,331). Participants from these samples had completed either the MMPI-2 or the MMPI-2-RF. The results were mostly consistent across the 2 samples, with some differences at the 3-factor level. In the patient sample a factor structure representing 3 broad psychopathology domains (internalizing, externalizing, and psychoticism) emerged; in the student sample the 3-factor level represented what is more commonly observed in "normal-range" personality models (negative emotionality, introversion, and disconstraint). At the 5-factor level the basic structure was similar across the 2 samples and represented well the PSY-5r domains.

  3. Bulk solitary waves in elastic solids

    Science.gov (United States)

    Samsonov, A. M.; Dreiden, G. V.; Semenova, I. V.; Shvartz, A. G.

    2015-10-01

    A short and object oriented conspectus of bulk solitary wave theory, numerical simulations and real experiments in condensed matter is given. Upon a brief description of the soliton history and development we focus on bulk solitary waves of strain, also known as waves of density and, sometimes, as elastic and/or acoustic solitons. We consider the problem of nonlinear bulk wave generation and detection in basic structural elements, rods, plates and shells, that are exhaustively studied and widely used in physics and engineering. However, it is mostly valid for linear elasticity, whereas dynamic nonlinear theory of these elements is still far from being completed. In order to show how the nonlinear waves can be used in various applications, we studied the solitary elastic wave propagation along lengthy wave guides, and remarkably small attenuation of elastic solitons was proven in physical experiments. Both theory and generation for strain soliton in a shell, however, remained unsolved problems until recently, and we consider in more details the nonlinear bulk wave propagation in a shell. We studied an axially symmetric deformation of an infinite nonlinearly elastic cylindrical shell without torsion. The problem for bulk longitudinal waves is shown to be reducible to the one equation, if a relation between transversal displacement and the longitudinal strain is found. It is found that both the 1+1D and even the 1+2D problems for long travelling waves in nonlinear solids can be reduced to the Weierstrass equation for elliptic functions, which provide the solitary wave solutions as appropriate limits. We show that the accuracy in the boundary conditions on free lateral surfaces is of crucial importance for solution, derive the only equation for longitudinal nonlinear strain wave and show, that the equation has, amongst others, a bidirectional solitary wave solution, which lead us to successful physical experiments. We observed first the compression solitary wave in the

  4. Fe-based bulk metallic glasses used for magnetic shielding

    Science.gov (United States)

    Şerban, Va; Codrean, C.; Uţu, D.; Ercuţa, A.

    2009-01-01

    The casting in complex shapes (tubullar) and the main magnetic properties of bulk metallic glasses (BMG) alloys from the ferromagnetic Fe-Cr-Ni-Ga-P-Si-C system, with a small adittion of Ni (3%) were studied. Samples as rods and sockets having the thickness up to 1 mm were obtained from master alloys by melt injection by low cooling rates into a Cu mold and annealed in order to ensure adequate magnetic requirements. The structure was examined by X-ray diffraction (XRD) and the basic magnetic properties (coercivity, magnetic remanence, initial susceptibility, etc.) were determined by conventional low frequency induction method. The experimental investigations on producing of BMG ferromagnetic alloys with 3% Ni show the possibility to obtain magnetic shields of complex shape with satisfactory magnetic properties. The presence of Ni does not affect the glass forming ability, but reduce the shielding capacity.

  5. Fe-based bulk metallic glasses used for magnetic shielding

    Energy Technology Data Exchange (ETDEWEB)

    Serban, Va; Codrean, C; UTu, D [Politehnica University of Timisoara, Depart for Materials Science and Welding, 1, M. Viteazu Bvd., 300222, Timisoara (Romania); ErcuTa, A, E-mail: serban@mec.upt.r [West University of Timisoara, Faculty of Physics, 4, Vasile Parvan Bdv., Timisoara 300223 (Romania)

    2009-01-01

    The casting in complex shapes (tubular) and the main magnetic properties of bulk metallic glasses (BMG) alloys from the ferromagnetic Fe-Cr-Ni-Ga-P-Si-C system, with a small addition of Ni (3%) were studied. Samples as rods and sockets having the thickness up to 1 mm were obtained from master alloys by melt injection by low cooling rates into a Cu mold and annealed in order to ensure adequate magnetic requirements. The structure was examined by X-ray diffraction (XRD) and the basic magnetic properties (coercivity, magnetic remanence, initial susceptibility, etc.) were determined by conventional low frequency induction method. The experimental investigations on producing of BMG ferromagnetic alloys with 3% Ni show the possibility to obtain magnetic shields of complex shape with satisfactory magnetic properties. The presence of Ni does not affect the glass forming ability, but reduce the shielding capacity.

  6. Analysis of atomic mobility in a Cu38Zr46Ag8Al8 bulk metallic glass

    International Nuclear Information System (INIS)

    Qiao, J.C.; Pelletier, J.M.

    2013-01-01

    Highlights: ► Atomic mobility in Cu 38 Zr 46 Ag 8 Al 8 bulk metallic glass have been investigated by DMA. ► Loss factor is directly connected to the energy lost during application of the stress. ► Structural relaxation and crystallization induces a decrease of the atomic mobility. ► The concentration of quasi-point defects links to atomic mobility in metallic glasses. - Abstract: Atomic mobility in as-cast and annealed Cu 38 Zr 46 Ag 8 Al 8 bulk metallic glass samples is analyzed by performing dynamic mechanical analysis. The loss factor is directly connected to the energy lost during application of the stress. Structural relaxation process and crystallization lead to a decrease of the atomic mobility in the bulk metallic glass. A physical model, based on the concept of quasi point defects is introduced, to describe the atomic mobility. Movements in amorphous materials are correlated. The correlation factor χ reflects the atomic mobility in bulk metallic glasses: structural relaxation and crystallization lead to a decrease of χ, implying the reduction of atomic mobility. The evolution of elastic, visco-elastic and viscoplastic components after structural relaxation and partial crystallization state during the mechanical response has been obtained. Compared with as-cast state, structural relaxation induced an increase of elastic component and a decrease of visco-elastic component in the metallic glass.

  7. X-Ray Nanoscopy of a Bulk Heterojunction.

    Directory of Open Access Journals (Sweden)

    Nilesh Patil

    Full Text Available Optimizing the morphology of bulk heterojunctions is known to significantly improve the photovoltaic performance of organic solar cells, but available quantitative imaging techniques are few and have severe limitations. We demonstrate X-ray ptychographic coherent diffractive imaging applied to all-organic blends. Specifically, the phase-separated morphology in bulk heterojunction photoactive layers for organic solar cells, prepared from a 50:50 blend of poly(3-hexylthiophene (P3HT and phenyl-C61-butyric acid methyl ester (PCBM and thermally treated for different annealing times is imaged to high resolution. Moreover, using a fast-scanning calorimetry chip setup, the nano-morphological changes caused by repeated thermal annealing applied to the same sample could be monitored. X-ray ptychography resolves to better than 100 nm the phase-segregated domains of electron donor and electron acceptor materials over a large field of view within the active layers. The quantitative phase contrast images further allow us to estimate the local volume fraction of PCBM across the photovoltaically active layers. The volume fraction gradient for different regions provides insight on the PCBM diffusion across the depletion zone surrounding PCBM aggregates. Phase contrast X-ray microscopy is under rapid development, and the results presented here are promising for future studies of organic-organic blends, also under in situ conditions, e.g., for monitoring the structural stability during UV-Vis irradiation.

  8. How taxonomic diversity, community structure, and sample size determine the reliability of higher taxon surrogates.

    Science.gov (United States)

    Neeson, Thomas M; Van Rijn, Itai; Mandelik, Yael

    2013-07-01

    Ecologists and paleontologists often rely on higher taxon surrogates instead of complete inventories of biological diversity. Despite their intrinsic appeal, the performance of these surrogates has been markedly inconsistent across empirical studies, to the extent that there is no consensus on appropriate taxonomic resolution (i.e., whether genus- or family-level categories are more appropriate) or their overall usefulness. A framework linking the reliability of higher taxon surrogates to biogeographic setting would allow for the interpretation of previously published work and provide some needed guidance regarding the actual application of these surrogates in biodiversity assessments, conservation planning, and the interpretation of the fossil record. We developed a mathematical model to show how taxonomic diversity, community structure, and sampling effort together affect three measures of higher taxon performance: the correlation between species and higher taxon richness, the relative shapes and asymptotes of species and higher taxon accumulation curves, and the efficiency of higher taxa in a complementarity-based reserve-selection algorithm. In our model, higher taxon surrogates performed well in communities in which a few common species were most abundant, and less well in communities with many equally abundant species. Furthermore, higher taxon surrogates performed well when there was a small mean and variance in the number of species per higher taxa. We also show that empirically measured species-higher-taxon correlations can be partly spurious (i.e., a mathematical artifact), except when the species accumulation curve has reached an asymptote. This particular result is of considerable practical interest given the widespread use of rapid survey methods in biodiversity assessment and the application of higher taxon methods to taxa in which species accumulation curves rarely reach an asymptote, e.g., insects.

  9. Continuous quality control of the blood sampling procedure using a structured observation scheme.

    Science.gov (United States)

    Seemann, Tine Lindberg; Nybo, Mads

    2016-10-15

    An observational study was conducted using a structured observation scheme to assess compliance with the local phlebotomy guideline, to identify necessary focus items, and to investigate whether adherence to the phlebotomy guideline improved. The questionnaire from the EFLM Working Group for the Preanalytical Phase was adapted to local procedures. A pilot study of three months duration was conducted. Based on this, corrective actions were implemented and a follow-up study was conducted. All phlebotomists at the Department of Clinical Biochemistry and Pharmacology were observed. Three blood collections by each phlebotomist were observed at each session conducted at the phlebotomy ward and the hospital wards, respectively. Error frequencies were calculated for the phlebotomy ward and the hospital wards and for the two study phases. A total of 126 blood drawings by 39 phlebotomists were observed in the pilot study, while 84 blood drawings by 34 phlebotomists were observed in the follow-up study. In the pilot study, the three major error items were hand hygiene (42% error), mixing of samples (22%), and order of draw (21%). Minor significant differences were found between the two settings. After focus on the major aspects, the follow-up study showed significant improvement for all three items at both settings (P < 0.01, P < 0.01, and P = 0.01, respectively). Continuous quality control of the phlebotomy procedure revealed a number of items not conducted in compliance with the local phlebotomy guideline. It supported significant improvements in the adherence to the recommended phlebotomy procedures and facilitated documentation of the phlebotomy quality.

  10. Formation and Mechanical Properties of Pd-Si Binary Bulk Metallic Glasses

    Directory of Open Access Journals (Sweden)

    Na Chen

    2014-01-01

    Full Text Available Glassy spherical samples in the diameters up to 10 mm were produced in a binary Pd-Si alloy system. These Pd-Si bulk metallic glasses (BMGs combine high strength of about 1600 MPa and superplasticity of over 70% together. In addition to abundant micrometer-scale shear bands, 10–20 nanometer-sized shear bands were also observed on the side surface of the deformed sample. The excellent ductility shown by the Pd-Si BMGs is suggested to arise from the nanoscale structural inhomogeneity.

  11. Effects of sampling completeness on the structure of plant-pollinator networks.

    Science.gov (United States)

    Rivera-Hutinel, A; Bustamante, R O; Marín, V H; Medel, R

    2012-07-01

    Plant-animal interaction networks provide important information on community organization. One of the most critical assumptions of network analysis is that the observed interaction patterns constitute an adequate sample of the set of interactions present in plant-animal communities. In spite of its importance, few studies have evaluated this assumption, and in consequence, there is no consensus on the sensitivity of network metrics to sampling methodological shortcomings. In this study we examined how variation in sampling completeness influences the estimation of six network metrics frequently used in the literature (connectance, nestedness, modularity, robustness to species loss, path length, and centralization). We analyzed data of 186 flowering plants and 336 pollinator species in 10 networks from a forest-fragmented system in central Chile. Using species-based accumulation curves, we estimated the deviation of network metrics in undersampled communities with respect to exhaustively sampled communities and the effect of network size and sampling evenness on network metrics. Our results indicate that: (1) most metrics were affected by sampling completeness but differed in their sensitivity to sampling effort; (2) nestedness, modularity, and robustness to species loss were less influenced by insufficient sampling than connectance, path length, and centralization; (3) robustness was mildly influenced by sampling evenness. These results caution studies that summarize information from databases with high, or unknown, heterogeneity in sampling effort per species and should stimulate researchers to report sampling intensity to standardize its effects in the search for broad patterns in plant-pollinator networks.

  12. Preparation of Bulk 13C-Enriched Graphene Materials

    Directory of Open Access Journals (Sweden)

    Leilei Tian

    2010-01-01

    Full Text Available Arc-discharge has been widely used in the bulk production of various carbon nanomaterials, especially for structurally more robust single-walled carbon nanotubes. In this paper, the same bulk-production technique was applied to the synthesis of significantly 13C-enriched graphitic materials, from which graphene oxides similarly enriched with 13C were prepared and characterized. The results demonstrate that arc-discharge is a convenient method to produce bulk quantities of 13C-enriched graphene materials from relatively less expensive precursors (largely amorphous 13C powders.

  13. Method and Apparatus of Measuring Velocity and Sound Attenuation Coefficient in Bulk Materials Based on the Analysis of the Structure of Sound-Insulation Materials on the Basis of Perlite

    Science.gov (United States)

    Kapranov, B. I.; Mashanov, A. P.

    2017-04-01

    This paper presents the results of research and describes the apparatus for measuring the acoustic characteristics of bulk materials. Ultrasound, it has passed through a layer of bulk material, is further passes through an air gap. The presence of air gap prevents from measuring tract mechanical contacts, but complicates the measurement technology Studies were conducted on the example of measuring the acoustic characteristics of the widely used perlite-based sound-proofing material.

  14. Structural changes and out-of-sample prediction of realized range-based variance in the stock market

    Science.gov (United States)

    Gong, Xu; Lin, Boqiang

    2018-03-01

    This paper aims to examine the effects of structural changes on forecasting the realized range-based variance in the stock market. Considering structural changes in variance in the stock market, we develop the HAR-RRV-SC model on the basis of the HAR-RRV model. Subsequently, the HAR-RRV and HAR-RRV-SC models are used to forecast the realized range-based variance of S&P 500 Index. We find that there are many structural changes in variance in the U.S. stock market, and the period after the financial crisis contains more structural change points than the period before the financial crisis. The out-of-sample results show that the HAR-RRV-SC model significantly outperforms the HAR-BV model when they are employed to forecast the 1-day, 1-week, and 1-month realized range-based variances, which means that structural changes can improve out-of-sample prediction of realized range-based variance. The out-of-sample results remain robust across the alternative rolling fixed-window, the alternative threshold value in ICSS algorithm, and the alternative benchmark models. More importantly, we believe that considering structural changes can help improve the out-of-sample performances of most of other existing HAR-RRV-type models in addition to the models used in this paper.

  15. Effect of Preparation Method on Phase Formation Process and Structural and Magnetic Properties of Mn2.5Ge Samples

    Directory of Open Access Journals (Sweden)

    R. Sobhani

    2016-12-01

    Full Text Available In this paper, the phase formation process of Mn2.5Ge samples, prepared by mechanical alloying of Mn and Ge metal powders and annealing, has been studied. Results showed that in the milled samples the stable phase is Mn11Ge8 compound with orthorhombic structure and Pnam space group. The value of saturation magnetization increases by increasing milling time from 0.2 up to 1.95 (Am2Kg-1. The remanece of the samples increases by increasing the milling time while the coercivity decreases. Annealing of 15-hour milled sample results in disappearance of Mn and Ge and the formation of new phases of Mn3Ge, Mn5Ge2, Mn5Ge3 and Mn2.3Ge. Mn3Ge is the main phase with Do22 tetragonal structure and I4/mmm space group which is stable and dominant. The enhancement of saturation magnetization in the annealed sample is related to the formation of three new magnetic phases and the increase of coercivity is due to the presence of Mn3Ge compound with tetragonal structure. Studies were replicated on samples made by arc melting method to compare the results and to investigate the effect of the preparation method on phase formation and structural and magnetic properties of the materials. In these samples the saturation value was in range of 0.2 up to 1.95 (Am2Kg-1 depending on preparation methods. Rietveld refinement shows that Mn2.3Ge sample prepared from arc melted under 620oC anealing is single phase. Magnetic analysis of this sample show a saturation magnetization of 5.252(Am2Kg-1 and 0.005 T coercive field.

  16. Compositional ordering and stability in nanostructured, bulk thermoelectric alloys.

    Energy Technology Data Exchange (ETDEWEB)

    Hekmaty, Michelle A.; Faleev, S.; Medlin, Douglas L.; Leonard, F.; Lensch-Falk, J.; Sharma, Peter Anand; Sugar, J. D.

    2009-09-01

    Thermoelectric materials have many applications in the conversion of thermal energy to electrical power and in solid-state cooling. One route to improving thermoelectric energy conversion efficiency in bulk material is to embed nanoscale inclusions. This report summarize key results from a recently completed LDRD project exploring the science underpinning the formation and stability of nanostructures in bulk thermoelectric and the quantitative relationships between such structures and thermoelectric properties.

  17. Charm contribution to bulk viscosity

    Science.gov (United States)

    Laine, M.; Sohrabi, Kiyoumars A.

    2015-02-01

    In the range of temperatures reached in future heavy ion collision experiments, hadronic pair annihilations and creations of charm quarks may take place within the lifetime of the plasma. As a result, charm quarks may increase the bulk viscosity affecting the early stages of hydrodynamic expansion. Assuming thermalisation, we estimate the charm contribution to bulk viscosity within the same effective kinetic theory framework in which the light parton contribution has been computed previously. The time scale at which this physics becomes relevant is related to the width of the transport peak associated with the trace anomaly correlator and is found to be fm/c for MeV.

  18. Micro and bulk analysis of prostate tissues classified as hyperplasia

    Energy Technology Data Exchange (ETDEWEB)

    Kwiatek, W.M. [Henryk Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, 31-342 Cracow (Poland)], E-mail: wojciech.kwiatek@ifj.edu.pl; Banas, A.; Banas, K. [Henryk Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, 31-342 Cracow (Poland); Cinque, G. [INFN- Laboratori Nazionali di Frascati, Via E. Fermi 40, I-00044 Frascati (Italy); Dyduch, G. [Collegium Medicum, Jagiellonian University, Cracow (Poland); Falkenberg, G. [Hasylab, DESY Notkestraae 85, D-22603 Hamburg (Germany); Kisiel, A. [Institute of Physics, Jagiellonian University, ul.Reymonta 4, 30-059 Cracow (Poland); Marcelli, A. [INFN- Laboratori Nazionali di Frascati, Via E. Fermi 40, I-00044 Frascati (Italy); Podgorczyk, M. [Henryk Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, 31-342 Cracow (Poland)

    2007-07-15

    BPH (Benign Prostatic Hyperplasia) is the most common benign neoplasm (non cancerous enlargement of the prostate gland), whose prevalence increases with age. The gland, when increased in size, exerts pressure on the urethra, causing obstruction to urine flow. The latter may result in severe urinary tract and kidney conditions. In this work prostate samples from patients diagnosed with BPH were analyzed using synchrotron radiation. Micro-analysis of the hyperplastic samples was carried out on the L-beam line at HASYLAB, DESY (Germany), while bulk analysis on selected samples was performed at the DRX2 beamline at LNF, Frascati (Italy). Microanalysis with a mono-energetic beam 15 {mu}m in diameter confirmed that concentrations of certain elements, such as S, Mn, Cu, Fe and Zn, are good indicators of pathological disorders in prostate tissue that may be considered effective tracers of developing compliant. The concentrations of Mn, Cu, Fe and Zn are higher in hyperplastic tissues, as compared to normal ones, while for sulphur the opposite is observed. Additionally, Fe and S K-edge XANES (X-ray Absorption Near Edge Structure) spectroscopy experiments were carried out in order to determine the chemical speciation of these elements in our samples.

  19. The Effect of Aqueous Alteration in Antarctic Carbonaceous Chondrites from Comparative ICP-MS Bulk Chemistry

    Science.gov (United States)

    Alonso-Azcarate, J.; Trigo-Rodriguez, J. M.; Moyano-Cambero, C. E.; Zolensky, M.

    2014-01-01

    Terrestrial ages of Antarctic carbonaceous chondrites (CC) indicate that these meteorites have been preserved in or on ice for, at least, tens of thousands of years. Due to the porous structure of these chondrites formed by the aggregation of silicate-rich chondrules, refractory inclusions, metal grains, and fine-grained matrix materials, the effect of pervasive terrestrial water is relevant. Our community defends that pristine CC matrices are representing samples of scarcely processed protoplanetary disk materials as they contain stellar grains, but they might also trace parent body processes. It is important to study the effects of terrestrial aqueous alteration in promoting bulk chemistry changes, and creating distinctive alteration minerals. Particularly because it is thought that aqueous alteration has particularly played a key role in some CC groups in modifying primordial bulk chemistry, and homogenizing the isotopic content of fine-grained matrix materials. Fortunately, the mineralogy produced by parent-body and terrestrial aqueous alteration processes is distinctive. With the goal to learn more about terrestrial alteration in Antarctica we are obtaining reflectance spectra of CCs, but also performing ICP-MS bulk chemistry of the different CC groups. A direct comparison with the mean bulk elemental composition of recovered falls might inform us on the effects of terrestrial alteration in finds. With such a goal, in the current work we have analyzed some members representative of CO and CM chondrite groups.

  20. Factor structure of the CES-D in a sample of Spanish- and English-speaking smokers on the Internet

    OpenAIRE

    Leykin, Yan; Torres, Leandro D.; Aguilera, Adrian; Muñoz, Ricardo F.

    2010-01-01

    Research on the Center for Epidemiological Studies-Depression Scale's (CES-D; Radloff, 1977) factor structure is mixed across diverse and international populations that differ from the one on which the scale was developed. This study examined the CES-D's factor structure in a large international sample of English (n = 3827) and Spanish-speaking (n = 13,629) smokers. A two-factor solution grouped into Positive and Negative factors emerged for the full English sample; the same two-factor soluti...

  1. Reduction of Charge-Carrier Recombination at ZnO-Polymer Blend Interfaces in PTB7-Based Bulk Heterojunction Solar Cells Using Regular Device Structure: Impact of ZnO Nanoparticle Size and Surfactant.

    Science.gov (United States)

    Ben Dkhil, Sadok; Gaceur, Meriem; Diallo, Abdou Karim; Didane, Yahia; Liu, Xianjie; Fahlman, Mats; Margeat, Olivier; Ackermann, Jörg; Videlot-Ackermann, Christine

    2017-05-24

    Cathode interfacial layers, also called electron extraction layers (EELs), based on zinc oxide (ZnO) have been studied in polymer-blend solar cells toward optimization of the opto-electric properties. Bulk heterojunction solar cells based on poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}) (PTB7) and [6,6]-phenyl-C71-butyric acid methyl ester (PC 70 BM) were realized in regular structure with all-solution-processed interlayers. A pair of commercially available surfactants, ethanolamine (EA) and ethylene glycol (EG), were used to modify the surface of ZnO nanoparticles (NPs) in alcohol-based dispersion. The influence of ZnO particle size was also studied by preparing dispersions of two NP diameters (6 versus 11 nm). Here, we show that performance improvement can be obtained in polymer solar cells via the use of solution-processed ZnO EELs based on surface-modified nanoparticles. By the optimizing of the ZnO dispersion, surfactant ratio, and the resulting morphology of EELs, PTB7/PC 70 BM solar cells with a power-conversion efficiency of 8.2% could be obtained using small sized EG-modified ZnO NPs that allow the clear enhancement of the performance of solution-processed photovoltaic devices compared to state-of-the-art ZnO-based cathode layers.

  2. Electrochemical and structural evaluation for bulk-type all-solid-state batteries using Li4GeS4-Li3PS4 electrolyte coating on LiCoO2 particles

    Science.gov (United States)

    Ito, Yusuke; Otoyama, Misae; Hayashi, Akitoshi; Ohtomo, Takamasa; Tatsumisago, Masahiro

    2017-08-01

    Bulk-type all-solid-state batteries, which use composite electrodes with a powder mixture of active materials and solid electrolytes, are anticipated for large-scale power sources. However, conventional powder mixing protocols are insufficient to maintain ion-conductive pathways within composite electrodes. Herein, sulfide electrolyte coatings have attracted attention as a promising means to overcome this difficulty. We assessed the effects of sulfide electrolyte coatings for active materials on the electrochemical properties and structural changes in all-solid-state cells. A favorable electrode-electrolyte interface was formed by coating significantly small amounts (ca. 3 wt%) of Li4GeS4-Li3PS4 solid electrolyte (SE) onto LiCoO2 particles via vapor phase process. The all-solid-state cell (In/Li2S-P2S5/SE-coated LiCoO2) was charged and discharged with a larger capacity than that using non-SE-coated LiCoO2 particles, indicating that the SE-coating is effective in forming a favorable ion-conductive pathway to LiCoO2 particles. Improvement of the cell performance after heat treatment was considered to derive not only from the enhancement of ionic conductivity in the SE-coating layer, but also from the reduction of voids in the composite electrode. Less ionic resistance and denser environment are beneficial for the Li-ion supply to the deepest part in the composite electrode, which results in more homogeneous electrochemical reaction in all-solid-state cells.

  3. Validating the Factor Structure of the Self-Report Psychopathy Scale in a Community Sample

    Science.gov (United States)

    Mahmut, Mehmet K.; Menictas, Con; Stevenson, Richard J.; Homewood, Judi

    2011-01-01

    Currently, there is no standard self-report measure of psychopathy in community-dwelling samples that parallels the most commonly used measure of psychopathy in forensic and clinical samples, the Psychopathy Checklist. A promising instrument is the Self-Report Psychopathy scale (SRP), which was derived from the original version the Psychopathy…

  4. Replication of Major Profile Patterns in Structural Equation Modeling: Effect of Bootstrapping in a Small Sample.

    Science.gov (United States)

    Kim, Se-Kang

    The effect of bootstrapping was studied by examining whether major profile patterns were replicated when sample sizes were reduced. Profile patterns estimated from the original sample (n=645) of the Wechsler Preschool and Primary Scale of IntelligenceThird Edition (WPPSI-III) Standardization Data were considered major profiles. For bootstrapping,…

  5. Combining functional and structural genomics to sample the essential Burkholderia structome.

    Directory of Open Access Journals (Sweden)

    Loren Baugh

    Full Text Available The genus Burkholderia includes pathogenic gram-negative bacteria that cause melioidosis, glanders, and pulmonary infections of patients with cancer and cystic fibrosis. Drug resistance has made development of new antimicrobials critical. Many approaches to discovering new antimicrobials, such as structure-based drug design and whole cell phenotypic screens followed by lead refinement, require high-resolution structures of proteins essential to the parasite.We experimentally identified 406 putative essential genes in B. thailandensis, a low-virulence species phylogenetically similar to B. pseudomallei, the causative agent of melioidosis, using saturation-level transposon mutagenesis and next-generation sequencing (Tn-seq. We selected 315 protein products of these genes based on structure-determination criteria, such as excluding very large and/or integral membrane proteins, and entered them into the Seattle Structural Genomics Center for Infection Disease (SSGCID structure determination pipeline. To maximize structural coverage of these targets, we applied an "ortholog rescue" strategy for those producing insoluble or difficult to crystallize proteins, resulting in the addition of 387 orthologs (or paralogs from seven other Burkholderia species into the SSGCID pipeline. This structural genomics approach yielded structures from 31 putative essential targets from B. thailandensis, and 25 orthologs from other Burkholderia species, yielding an overall structural coverage for 49 of the 406 essential gene families, with a total of 88 depositions into the Protein Data Bank. Of these, 25 proteins have properties of a potential antimicrobial drug target i.e., no close human homolog, part of an essential metabolic pathway, and a deep binding pocket. We describe the structures of several potential drug targets in detail.This collection of structures, solubility and experimental essentiality data provides a resource for development of drugs against

  6. Combining functional and structural genomics to sample the essential Burkholderia structome.

    Science.gov (United States)

    Baugh, Loren; Gallagher, Larry A; Patrapuvich, Rapatbhorn; Clifton, Matthew C; Gardberg, Anna S; Edwards, Thomas E; Armour, Brianna; Begley, Darren W; Dieterich, Shellie H; Dranow, David M; Abendroth, Jan; Fairman, James W; Fox, David; Staker, Bart L; Phan, Isabelle; Gillespie, Angela; Choi, Ryan; Nakazawa-Hewitt, Steve; Nguyen, Mary Trang; Napuli, Alberto; Barrett, Lynn; Buchko, Garry W; Stacy, Robin; Myler, Peter J; Stewart, Lance J; Manoil, Colin; Van Voorhis, Wesley C

    2013-01-01

    The genus Burkholderia includes pathogenic gram-negative bacteria that cause melioidosis, glanders, and pulmonary infections of patients with cancer and cystic fibrosis. Drug resistance has made development of new antimicrobials critical. Many approaches to discovering new antimicrobials, such as structure-based drug design and whole cell phenotypic screens followed by lead refinement, require high-resolution structures of proteins essential to the parasite. We experimentally identified 406 putative essential genes in B. thailandensis, a low-virulence species phylogenetically similar to B. pseudomallei, the causative agent of melioidosis, using saturation-level transposon mutagenesis and next-generation sequencing (Tn-seq). We selected 315 protein products of these genes based on structure-determination criteria, such as excluding very large and/or integral membrane proteins, and entered them into the Seattle Structural Genomics Center for Infection Disease (SSGCID) structure determination pipeline. To maximize structural coverage of these targets, we applied an "ortholog rescue" strategy for those producing insoluble or difficult to crystallize proteins, resulting in the addition of 387 orthologs (or paralogs) from seven other Burkholderia species into the SSGCID pipeline. This structural genomics approach yielded structures from 31 putative essential targets from B. thailandensis, and 25 orthologs from other Burkholderia species, yielding an overall structural coverage for 49 of the 406 essential gene families, with a total of 88 depositions into the Protein Data Bank. Of these, 25 proteins have properties of a potential antimicrobial drug target i.e., no close human homolog, part of an essential metabolic pathway, and a deep binding pocket. We describe the structures of several potential drug targets in detail. This collection of structures, solubility and experimental essentiality data provides a resource for development of drugs against infections and diseases

  7. Determination of structure of oriented samples using two-dimensional solid state NMR techniques

    International Nuclear Information System (INIS)

    Jin Hong; Harbison, G.S.

    1990-01-01

    One dimensional and two-dimensional MAS techniques can give detailed information about the structure and dynamics of oriented systems. We describe the application of such techniques to the liquid-crystalline polymer poly(p-phenyleneterphtalimide) (PPTA), and thence deduce the solid-state structure of the material. (author). 9 refs.; 6 figs

  8. The Trait Emotional Intelligence Questionnaire: Internal Structure, Convergent, Criterion, and Incremental Validity in an Italian Sample

    Science.gov (United States)

    Andrei, Federica; Smith, Martin M.; Surcinelli, Paola; Baldaro, Bruno; Saklofske, Donald H.

    2016-01-01

    This study investigated the structure and validity of the Italian translation of the Trait Emotional Intelligence Questionnaire. Data were self-reported from 227 participants. Confirmatory factor analysis supported the four-factor structure of the scale. Hierarchical regressions also demonstrated its incremental validity beyond demographics, the…

  9. Bulk metamaterials: Design, fabrication and characterization

    DEFF Research Database (Denmark)

    Andryieuski, Andrei; Malureanu, Radu; Alabastri, Alessandro

    2009-01-01

    Bulk metamaterials claim a lot of attention worldwide. We report about our activity and advances in design, fabrication and characterization of metal-dielectric composites with three-dimensional lattices. The nomenclature of designs exhibiting negative index behaviour in the near infrared includes...... ambiguity generic to the standard S-parameters retrieval method. Accurateness of the method is highlighted by a set of numerical checks. To fabricate smooth metal three-dimensional structures we develop an electroless chemical technique. We present the results of silver deposition on the surface of a 30...

  10. Modification of ntezi bentonite structure by hydrochloric acid: process kinetics and structural properties of the modified samples

    International Nuclear Information System (INIS)

    Ajemba, R.O.

    2014-01-01

    Bentonite from Ntezi was modified by reacting it with different concentrations of hydrochloric acid solutions. The modified samples were analysed by x-ray fluorescence. The kinetics of the modification reaction was studied by performing the experiment at different temperatures and times. Results of the analysis of the modified samples showed that the octahedral cations were removed which altered the chemical composition of the bentonite. The surface area and adsorptive capacity of the bentonite were improved after the modification. The kinetic studies showed that the acid modification reaction is controlled by the product layer diffusion and can be represented by (1-(l-X)/sup 1/3)/sup 2/ = k t; where, X is the fraction of the bentonite dissolved at time t. The activation energy was determined to be 24.98 kJ/mol. (author)

  11. Applying Individual Tree Structure From Lidar to Address the Sensitivity of Allometric Equations to Small Sample Sizes.

    Science.gov (United States)

    Duncanson, L.; Dubayah, R.

    2015-12-01

    Lidar remote sensing is widely applied for mapping forest carbon stocks, and technological advances have improved our ability to capture structural details from forests, even resolving individual trees. Despite these advancements, the accuracy of forest aboveground biomass models remains limited by the quality of field estimates of biomass. The accuracies of field estimates are inherently dependent on the accuracy of the allometric equations used to relate measurable attributes to biomass. These equations are calibrated with relatively small samples of often spatially clustered trees. This research focuses on one of many issues involving allometric equations - understanding how sensitive allometric parameters are to the sample sizes used to fit them. We capitalize on recent advances in lidar remote sensing to extract individual tree structural information from six high-resolution airborne lidar datasets in the United States. We remotely measure millions of tree heights and crown radii, and fit allometric equations to the relationship between tree height and radius at a 'population' level, in each site. We then extract samples from our tree database, and build allometries on these smaller samples of trees, with varying sample sizes. We show that for the allometric relationship between tree height and crown radius, small sample sizes produce biased allometric equations that overestimate height for a given crown radius. We extend this analysis using translations from the literature to address potential implications for biomass, showing that site-level biomass may be greatly overestimated when applying allometric equations developed with the typically small sample sizes used in popular allometric equations for biomass.

  12. A route to transparent bulk metals

    KAUST Repository

    Schwingenschlögl, Udo

    2012-07-23

    Hypothetical compounds based on a sapphire host are investigated with respect to their structural as well as electronic features. The results are obtained by electronic structure calculations within density functional theory and the generalized gradient approximation. A quarter of the Al atoms in Al 2O 3 is replaced by a 4d transition metal M ion, with d 0 to d 9 electronic configuration. We perform structure optimizations for all the compounds and analyze the electronic states. Due to the sizeable band gap of the Al 2O 3 host, we can identify promising candidates for transparent bulk metals. We explain the mechanisms leading to this combination of materials properties. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Proposal of an analytical methodology to evaluate asbestos content into bulk samples by means of Fourier transform infrared spectroscopy; Una proposta di metodica analitica per la determinazione del contenuto di amianto in campioni massivi tramite spettroscopia infrarossa in trasformata di Fourier

    Energy Technology Data Exchange (ETDEWEB)

    Cioffi, R. [Potenza Universita' della Basilicata, Potenza (Italy). Dipt. di Ingegneria e Fisica dell' Ambiente; De Stefano, L. [Area Ambiente Ricerca, Segrate, MI (Italy); Lavorgna, M.; Palumbo, M. [Naples Univ. Federico 2., Naples (Italy). Dipt. di Ingegneria dei Materiali e della Produzione

    2001-04-01

    The Italian act 257/92 imposes the identification and classification of asbestos containing materials in order to opportune programs of control and maintenance or of reclamation and disposal. In this work is presented a proposal of an analytical methodology to evaluate the content of asbestos in bulk samples by Fourier Transform Infrared (FT-IR) spectroscopy. The accuracy and the precision of the method have been verified on test mixtures with a known content of asbestos. [Italian] La legge 257/92 impone di individuare e classificare i materiali contenenti amianto per stabilire opportuni programmi di controllo e manutenzione o di bonifica e smaltimento. In questo lavoro e' presentata in dettaglio una proposta di metodica analitica per la determinazione del contenuto di amianto in campioni massivi tramite spettroscopia infrarossa in trasformata di Fourier (FT-IR). L'accuratezza e la precisione della metodica sono state verificate con miscele di prova a contenuto noto di amianto.

  14. Piloting a Non-Invasive Genetic Sampling Method for Evaluating Population-Level Benefits of Wildlife Crossing Structures

    Directory of Open Access Journals (Sweden)

    Anthony P. Clevenger

    2010-03-01

    Full Text Available Intuitively, wildlife crossing structures should enhance the viability of wildlife populations. Previous research has demonstrated that a broad range of species will use crossing structures, however, questions remain as to whether these measures actually provide benefits to populations. To assess this, studies will need to determine the number of individuals using crossings, their sex, and their genetic relationships. Obtaining empirical data demonstrating population-level benefits for some species can be problematic and challenging at best. Molecular techniques now make it possible to identify species, individuals, their sex, and their genetic relatedness from hair samples collected through non-invasive genetic sampling (NGS. We describe efforts to pilot a method to assess potential population-level benefits of wildlife crossing structures. We tested the feasibility of a prototype NGS system designed to sample hair from black bears (Ursus americanus and grizzly bears (U. arctos at two wildlife underpasses. The piloted hair-sampling method did not deter animal use of the trial underpasses and was effective at sampling hair from more than 90% of the bear crossing events at the underpasses. Hair samples were also obtained from non-target carnivore species, including three out of five (60% cougar (Puma concolor crossing events. Individual identification analysis revealed that three female and two male grizzly bears used one wildlife underpass, whereas two female and three male black bears were identified as using the other underpass. Of the 36 hair samples from bears analyzed, five failed, resulting in an 87% extraction success rate, and six more were only identified to species. Overall, 70% of the hair samples from bears collected in the field had sufficient DNA for extraction purposes. Preliminary data from our NGS suggest the technique can be a reliable method to assess the population-level benefits of Banff wildlife crossings. Furthermore, NGS

  15. Factor Structure of the Counselor Burnout Inventory in a Sample of Sexual Offender and Sexual Abuse Therapists

    Science.gov (United States)

    Lee, Jayoung; Wallace, Sam; Puig, Ana; Choi, Bo Young; Nam, Suk Kyung; Lee, Sang Min

    2010-01-01

    This study empirically tested and compared three different models of factor structure with a sample of therapists working with sexual offenders, survivors of sexual abuse, or both. Results indicated that a modified five-factor model was the most appropriate. Practical implications for sexual offender/abuse survivor therapists are discussed.…

  16. Testing the Structural Invariance of the Africultural Coping Systems Inventory Across Three Samples of African Descent Populations

    Science.gov (United States)

    Utsey, Shawn O.; Brown, Christa; Bolden, Mark A.

    2004-01-01

    Confirmatory factor analysis was used to test the factorial invariance of the Africultural Coping Systems Inventory's (ACSI) measurement model and underlying factor structure across three independent and ethnically distinct samples of African descent populations. Results indicated that factor pattern coefficients of the ACSI's underlying…

  17. The Short Version of the Depression Anxiety Stress Scales (DASS-21): Factor Structure in a Young Adolescent Sample

    Science.gov (United States)

    Szabo, Marianna

    2010-01-01

    This study explored the factor structure of the short form of the Depression Anxiety Stress Scales (DASS-21; Lovibond & Lovibond, 1995b) in a young adolescent sample. A group of 484 high school students ("Mean" age = 13.62 years, Min = 11.83, Max = 15.67 years, 52 % boys) completed the DASS-21. Several models were tested using Confirmatory Factor…

  18. Factor Structure and Psychometric Properties of the Work-Family Balance Scale in an Urban Chinese Sample

    Science.gov (United States)

    Zhang, Huiping; Yip, Paul S. F.; Chi, Peilian; Chan, Kinsun; Cheung, Yee Tak; Zhang, Xiulan

    2012-01-01

    The purpose of this study was to explore the factor structure of the Work-Family Balance Scale (WFBS) and examine its reliability and validity in use in the urban Chinese population. The scale was validated using a sample of 605 urban Chinese residents from 7 cities. Exploratory factor analysis identified two factors: work-family conflict and…

  19. Sampling scheme on genetic structure of tree species in fragmented tropical dry forest: an evaluation from landscape genetic simulations

    Science.gov (United States)

    Yessica Rico; Marie-Stephanie. Samain

    2017-01-01

    Investigating how genetic variation is distributed across the landscape is fundamental to inform forest conservation and restoration. Detecting spatial genetic discontinuities has value for defining management units, germplasm collection, and target sites for reforestation; however, inappropriate sampling schemes can misidentify patterns of genetic structure....

  20. Atmospheric bulk deposition of mercury in Denmark

    International Nuclear Information System (INIS)

    Jensen, A.

    1992-01-01

    Atmospheric bulk deposition of mercury has been measured in 1990/91 at 7 localities in Denmark at four coastal stations and three forest stations. At five localities duplicate samplers were set up to study the reproducibility of the samplers. At the localities with duplicate samplers one sample was analyzed by the Danish laboratory (FORCE Institutes) by radiochemical neutron activation analysis (RNAA) and by the Swedish Environmental Research Institute (IVL) with application of plasma emission spectrometry (AES) or atomic fluorescence spectrometry (AFS). The results showed no significant difference between the results of RNAA and AES at the 97.5% probability level. No significant difference was found for the methods RNAA and AFS. The reproducibility of the new samplers which were constructed by IVL for collection of precipitation and measurement of bulk deposition of mercury were excellent with no significant difference between the two parameters for the duplicate samplers. The yearly atmospheric bulk deposition rate of mercury was nearly identical at three of the coastal stations, between 7.4 - 9.2 μg/m 2 ,yr, and with higher values for the forest stations, 10.5 - 13.1 μg/m 2 ,yr. One coastal station had a higher depostion of 14.8 μg/m 2 ,yr which is in agreement with earlier findings based on a small number of precipitations events. Much lower values are found in this study in comparison with a Danish study from 1976/78 where 40 - 65 μg/m 2 ,yr were found. It is not possible to decide whether this difference is caused by reductions in inputs and/or different sampling techniques. (au)

  1. Holographic Projection of Structured Beams of Light for Target Ranging, Remote Velocimetry, and Sample Acquisition

    Data.gov (United States)

    National Aeronautics and Space Administration — Structuring the amplitude, phase and polarization profiles of a laser beam can endow the light with remarkable properties that create immediate opportunities for...

  2. Predicting Future Deterioration of Hydraulic Steel Structures with Markov Chain and Multivariate Samples of Statistical Distributions

    Directory of Open Access Journals (Sweden)

    Guillermo A. Riveros

    2014-01-01

    Full Text Available Combined effects of several complex phenomena cause the deterioration of elements of steel hydraulic structures on the nation’s lock systems: loss of protective systems, corrosion, cracking and fatigue, impacts, and overloads. This paper presents examples of deterioration of steel hydraulic structures. A method for predicting future deterioration based on current conditions is also presented. This paper also includes a procedure for developing deterioration curves when condition state data is available.

  3. The Work Role Functioning Questionnaire v2.0 Showed Consistent Factor Structure Across Six Working Samples

    DEFF Research Database (Denmark)

    Abma, Femke I.; Bültmann, Ute; Amick, Benjamin C.

    2017-01-01

    Objective: The Work Role Functioning Questionnaire v2.0 (WRFQ) is an outcome measure linking a persons’ health to the ability to meet work demands in the twenty-first century. We aimed to examine the construct validity of the WRFQ in a heterogeneous set of working samples in the Netherlands...... with mixed clinical conditions and job types to evaluate the comparability of the scale structure. Methods: Confirmatory factor and multi-group analyses were conducted in six cross-sectional working samples (total N = 2433) to evaluate and compare a five-factor model structure of the WRFQ (work scheduling....... Therefore subscale scores are recommended to compare across different clinical and working samples....

  4. Excavating past population structures by surname-based sampling: the genetic legacy of the Vikings in northwest England.

    Science.gov (United States)

    Bowden, Georgina R; Balaresque, Patricia; King, Turi E; Hansen, Ziff; Lee, Andrew C; Pergl-Wilson, Giles; Hurley, Emma; Roberts, Stephen J; Waite, Patrick; Jesch, Judith; Jones, Abigail L; Thomas, Mark G; Harding, Stephen E; Jobling, Mark A

    2008-02-01

    The genetic structures of past human populations are obscured by recent migrations and expansions and have been observed only indirectly by inference from modern samples. However, the unique link between a heritable cultural marker, the patrilineal surname, and a genetic marker, the Y chromosome, provides a means to target sets of modern individuals that might resemble populations at the time of surname establishment. As a test case, we studied samples from the Wirral Peninsula and West Lancashire, in northwest England. Place-names and archaeology show clear evidence of a past Viking presence, but heavy immigration and population growth since the industrial revolution are likely to have weakened the genetic signal of a 1,000-year-old Scandinavian contribution. Samples ascertained on the basis of 2 generations of residence were compared with independent samples based on known ancestry in the region plus the possession of a surname known from historical records to have been present there in medieval times. The Y-chromosomal haplotypes of these 2 sets of samples are significantly different, and in admixture analyses, the surname-ascertained samples show markedly greater Scandinavian ancestry proportions, supporting the idea that northwest England was once heavily populated by Scandinavian settlers. The method of historical surname-based ascertainment promises to allow investigation of the influence of migration and drift over the last few centuries in changing the population structure of Britain and will have general utility in other regions where surnames are patrilineal and suitable historical records survive.

  5. Factor structure of items from the personality Adjective Check List in a sample of normal adolescents.

    Science.gov (United States)

    Tous, Josep M; Pont, Núria; Ruben, Muiños

    2006-11-01

    We present the results of a principal-components analysis of the Personality Adjective Check List (PACL) at the item level, rather than at the scale level. The PACL was constructed by Strack (1987) to evaluate the personality scales proposed by Millon (1981). Data were obtained from a sample of normal adolescents. A scree test was applied to determine the number of factors to be extracted, and the retained factors were then rotated using a varimax procedure. Using the data from this second analysis, congruence coefficients were calculated by correlating the factor weights from the two analyses of men and women. Results reveal the existence in the whole sample of five unipolar personality factors, which we have called: Aggressive, Conscientious, Inhibited, Impulsive and Gregarious. These are not similar to those obtained from a sample of normal adults.

  6. Mapping the structural organization of the brain in conduct disorder: replication of findings in two independent samples.

    Science.gov (United States)

    Fairchild, Graeme; Toschi, Nicola; Sully, Kate; Sonuga-Barke, Edmund J S; Hagan, Cindy C; Diciotti, Stefano; Goodyer, Ian M; Calder, Andrew J; Passamonti, Luca

    2016-09-01

    Neuroimaging methods that allow researchers to investigate structural covariance between brain regions are increasingly being used to study psychiatric disorders. Structural covariance analyses are particularly well suited for studying disorders with putative neurodevelopmental origins as they appear sensitive to changes in the synchronized maturation of different brain regions. We assessed interregional correlations in cortical thickness as a measure of structural covariance, and applied this method to investigate the coordinated development of different brain regions in conduct disorder (CD). We also assessed whether structural covariance measures could differentiate between the childhood-onset (CO-CD) and adolescence-onset (AO-CD) subtypes of CD, which may differ in terms of etiology and adult outcomes. We examined interregional correlations in cortical thickness in male youths with CO-CD or AO-CD relative to healthy controls (HCs) in two independent datasets. The age range in the Cambridge sample was 16-21 years (mean: 18.0), whereas the age range of the Southampton sample was 13-18 years (mean: 16.7). We used FreeSurfer to perform segmentations and applied structural covariance methods to the resulting parcellations. In both samples, CO-CD participants displayed a strikingly higher number of significant cross-cortical correlations compared to HC or AO-CD participants, whereas AO-CD participants presented fewer significant correlations than HCs. Group differences in the strength of the interregional correlations were observed in both samples, and each set of results remained significant when controlling for IQ and comorbid attention-deficit/hyperactivity disorder symptoms. This study provides new evidence for quantitative differences in structural brain organization between the CO-CD and AO-CD subtypes, and supports the hypothesis that both subtypes of CD have neurodevelopmental origins. © 2016 The Authors. Journal of Child Psychology and Psychiatry

  7. Genetic diversity and structure found in samples of Eritrean bread wheat

    DEFF Research Database (Denmark)

    Desta, Zeratsion Abera; Orabi, Jihad; Jahoor, Ahmed

    2014-01-01

    Genetic diversity and structure plays a key role in the selection of parents for crosses in plant breeding programmes. The aim of the present study was to analyse the genetic diversity and structure of Eritrean bread wheat accessions. We analysed 284 wheat accessions from Eritrea using 30 simple...... sequence repeat markers. A total of 539 alleles were detected. The allele number per locus ranged from 2 to 21, with a mean allele number of 9.2. The average genetic diversity index was 0.66, with values ranging from 0.01 to 0.89. Comparing the three genomes of wheat, the B genome had the highest genetic...... diversity (0.66) and the D genome the lowest diversity (0.61). A STRUCTURE analysis based on the Bayesian model-based cluster analysis followed by a graphical representation of the distances by non-parametric multidimensional scaling revealed a distinct partition of the Eritrean wheat accessions into two...

  8. Transient Tip-Sample Interactions in High-Speed AFM Imaging of 3D nano structures

    NARCIS (Netherlands)

    Keyvani Janbahan, A.; Sadeghian Marnani, H; Goosen, H.; Keulen, F. van

    2015-01-01

    The maximum amount of repulsive force applied to the surface plays a very important role in damage of tip or sample in Atomic Force Microscopy(AFM). So far, many investigations have focused on peak repulsive forces in tapping mode AFM in steady state conditions. However, it is known that AFM could

  9. [Automated serial diagnosis of donor blood samples. Ergonomic and economic organization structure].

    Science.gov (United States)

    Stoll, T; Fischer-Fröhlich, C L; Mayer, G; Hanfland, P

    1990-01-01

    A comprehensive computer-aided administration-system for blood-donors is presented. Ciphered informations of barcode-labels allow the automatic and nevertheless selective pipetting of samples by pipetting-robots. Self-acting analysis-results are transferred to a host-computer in order to actualize a donor data-base.

  10. Longitudinal bulk acoustic mass sensor

    DEFF Research Database (Denmark)

    Hales, Jan Harry; Teva, Jordi; Boisen, Anja

    2009-01-01

    A polycrystalline silicon longitudinal bulk acoustic cantilever is fabricated and operated in air at 51 MHz. A mass sensitivity of 100 Hz/fg (1 fg=10(-15) g) is obtained from the preliminary experiments where a minute mass is deposited on the device by means of focused ion beam. The total noise i...... in the currently applied measurement system allows for a minimum detectable mass of 0.5 fg in air.......A polycrystalline silicon longitudinal bulk acoustic cantilever is fabricated and operated in air at 51 MHz. A mass sensitivity of 100 Hz/fg (1 fg=10(-15) g) is obtained from the preliminary experiments where a minute mass is deposited on the device by means of focused ion beam. The total noise...

  11. Progress in bulk texture measurement using neutron diffraction

    International Nuclear Information System (INIS)

    Xu, Pingguang; Suzuki, Hiroshi; Akita, Koichi; Harjo, Stefanus; Gong, Wu; Tomota, Yo; Ito, Takayoshi; Morii, Yukio; Suzuki, Tetsuya; Lutterotti, Luca

    2015-01-01

    The current status of bulk texture measurements both using angle dispersive neutron diffraction and time-of-flight neutron diffraction at JAEA was briefly reviewed, then the effect of sample orientation coverage in the time-of-flight neutron diffraction on the reliability of reconstructed pole figure on the reliability of reconstructed pole figure was simply compared after the simultaneous Rietveld texture analysis. The similar texture results obtained at different orientation coverage levels suggests that it is possible to reduce the sample rotation times reasonably during the bulk texture measurement. (author)

  12. The PANAS Structure Revisited: On the Validity of a Bifactor Model in Community and Forensic Samples

    Science.gov (United States)

    Leue, Anja; Beauducel, Andre

    2011-01-01

    The Positive and Negative Affect Schedule (PANAS) is a widely used inventory for the assessment of affect in psychology and other applied sciences. Despite its popularity, the structure of the PANAS is still under debate. On the one hand, there is evidence of the traditional 2-factor model with Positive Affect (PA) and Negative Affect (NA) as…

  13. Sampling and estimation procedures for the vegetation diversity and structure indicator

    Science.gov (United States)

    Bethany K. Schulz; William A. Bechtold; Stanley J. Zarnoch

    2009-01-01

    The Vegetation Diversity and Structure Indicator (VEG) is an extensive inventory of vascular plants in the forests of the United States. The VEG indicator provides baseline data to assess trends in forest vascular plant species richness and composition, and the relative abundance and spatial distribution of those species, including invasive and introduced species. The...

  14. Bulk Heterojunction Solar Cells: Impact of Minor Structural Modifications to the Polymer Backbone on the Polymer-Fullerene Mixing and Packing and on the Fullerene-Fullerene Connecting Network

    KAUST Repository

    Wang, Tonghui

    2018-01-25

    The morphology of the active layer of a bulk heterojunction solar cell, made of a blend of an electron-donating polymer and an electron-accepting fullerene derivative, is known to play a determining role in device performance. Here, a combination of molecular dynamics simulations and long-range corrected density functional theory calculations is used to elucidate the molecular-scale effects that even minor structural changes to the polymer backbone can have on the “local” morphology; this study focuses on the extent of polymer–fullerene mixing, on their packing, and on the characteristics of the fullerene–fullerene connecting network in the mixed regions, aspects that are difficult to access experimentally. Three representative polymer donors are investigated: (i) poly[(5,6-difluoro-2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3′″-di(2-octyldodecyl)-2,2′;5′,2″;5″,2′″-quaterthiophen-5,5′″-diyl)] (PffBT4T-2OD); (ii) poly[(2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3′″-di(2-octyldodecyl)-2,2′;5′,2″;5″,2′″-quaterthiophen-5,5′″-diyl)] (PBT4T-2OD), where the fluorine atoms in the benzothiadiazole moieties of PffBT4T-2OD are replaced with hydrogen atoms; and (iii) poly[(2,2′-bithiophene)-alt-(4,7-bis((2-decyltetradecyl)thiophen-2-yl)-5,6-difluoro-2-propyl-2H-benzo[d][1,2,3]triazole)] (PT2-FTAZ), where the sulfur atoms in the benzothiadiazole moieties of PffBT4T-2OD are replaced with nitrogen atoms carrying a linear C3H7 side-chain; these polymers are mixed with the phenyl-C71-butyric acid methyl ester (PC71BM) acceptor. This study also discusses the nature of the charge-transfer electronic states appearing at the donor–acceptor interfaces, the electronic couplings relevant for the charge-recombination process, and the electron-transfer features between neighboring PC71BM molecules.

  15. Bulk Superconductors in Mobile Application

    Science.gov (United States)

    Werfel, F. N.; Delor, U. Floegel-; Rothfeld, R.; Riedel, T.; Wippich, D.; Goebel, B.; Schirrmeister, P.

    We investigate and review concepts of multi - seeded REBCO bulk superconductors in mobile application. ATZ's compact HTS bulk magnets can trap routinely 1 T@77 K. Except of magnetization, flux creep and hysteresis, industrial - like properties as compactness, power density, and robustness are of major device interest if mobility and light-weight construction is in focus. For mobile application in levitated trains or demonstrator magnets we examine the performance of on-board cryogenics either by LN2 or cryo-cooler application. The mechanical, electric and thermodynamical requirements of compact vacuum cryostats for Maglev train operation were studied systematically. More than 30 units are manufactured and tested. The attractive load to weight ratio is more than 10 and favours group module device constructions up to 5 t load on permanent magnet (PM) track. A transportable and compact YBCO bulk magnet cooled with in-situ 4 Watt Stirling cryo-cooler for 50 - 80 K operation is investigated. Low cooling power and effective HTS cold mass drives the system construction to a minimum - thermal loss and light-weight design.

  16. Structure-based sampling and self-correcting machine learning for accurate calculations of potential energy surfaces and vibrational levels

    Science.gov (United States)

    Dral, Pavlo O.; Owens, Alec; Yurchenko, Sergei N.; Thiel, Walter

    2017-06-01

    We present an efficient approach for generating highly accurate molecular potential energy surfaces (PESs) using self-correcting, kernel ridge regression (KRR) based machine learning (ML). We introduce structure-based sampling to automatically assign nuclear configurations from a pre-defined grid to the training and prediction sets, respectively. Accurate high-level ab initio energies are required only for the points in the training set, while the energies for the remaining points are provided by the ML model with negligible computational cost. The proposed sampling procedure is shown to be superior to random sampling and also eliminates the need for training several ML models. Self-correcting machine learning has been implemented such that each additional layer corrects errors from the previous layer. The performance of our approach is demonstrated in a case study on a published high-level ab initio PES of methyl chloride with 44 819 points. The ML model is trained on sets of different sizes and then used to predict the energies for tens of thousands of nuclear configurations within seconds. The resulting datasets are utilized in variational calculations of the vibrational energy levels of CH3Cl. By using both structure-based sampling and self-correction, the size of the training set can be kept small (e.g., 10% of the points) without any significant loss of accuracy. In ab initio rovibrational spectroscopy, it is thus possible to reduce the number of computationally costly electronic structure calculations through structure-based sampling and self-correcting KRR-based machine learning by up to 90%.

  17. An introduction to sample preparation and imaging by cryo-electron microscopy for structural biology

    Science.gov (United States)

    Thompson, Rebecca F.; Walker, Matt; Siebert, C. Alistair; Muench, Stephen P.; Ranson, Neil A.

    2016-01-01

    Transmission electron microscopy (EM) is a versatile technique that can be used to image biological specimens ranging from intact eukaryotic cells to individual proteins >150 kDa. There are several strategies for preparing samples for imaging by EM, including negative staining and cryogenic freezing. In the last few years, cryo-EM has undergone a ‘resolution revolution’, owing to both advances in imaging hardware, image processing software, and improvements in sample preparation, leading to growing number of researchers using cryo-EM as a research tool. However, cryo-EM is still a rapidly growing field, with unique challenges. Here, we summarise considerations for imaging of a range of specimens from macromolecular complexes to cells using EM. PMID:26931652

  18. Preparation, thermal stability, and magnetic properties of Fe-Zr-Mo-W-B bulk metallic glass

    International Nuclear Information System (INIS)

    Liu, D.Y.; Sun, W.S.; Wang, A.M.; Zhang, H.F.; Hu, Z.Q.

    2004-01-01

    A bulk metallic glass (BMG) cylinder of Fe 60 Co 8 Zr 10 Mo 5 W 2 B 15 with a diameter of 1.5 mm was prepared by copper mould casting of industrial raw materials. The amorphous state and the crystallization behavior were investigated by X-ray diffraction (XRD). The thermal stability parameters, such as glass transition temperature (T g ), crystallization temperature (T x ), supercooled liquid region (ΔT x ) between T g and T x , and reduced glass transition temperature T rg (T g /T m ) were measured by differential scanning calorimetry (DSC) to be 891, 950, 59 K, and 0.62, respectively. The crystallization process took place through a single stage, and involved crystallization of the phases α-Fe, ZrFe 2 , Fe 3 B, MoB 2 , Mo 2 FeB 2 , and an unknown phase, as determined by X-ray analysis of the sample annealed for 1.5 ks at 1023 K, 50 K above the DSC peak temperature of crystallization. Moessbauer spectroscopy was studied for this alloy. The spectra exhibit a broadened and asymmetric doublet-like structure that indicated paramagnetic behavior and a fully amorphous structure. α-Fe was found in the amorphous matrix for a cylinder with a diameter of 2.5 mm. The success of synthesis of the Fe-based bulk metallic glass from industrial materials is important for the future progress in research and practical application of new bulk metallic glasses

  19. A topological analysis of large-scale structure, studied using the CMASS sample of SDSS-III

    International Nuclear Information System (INIS)

    Parihar, Prachi; Gott, J. Richard III; Vogeley, Michael S.; Choi, Yun-Young; Kim, Juhan; Kim, Sungsoo S.; Speare, Robert; Brownstein, Joel R.; Brinkmann, J.

    2014-01-01

    We study the three-dimensional genus topology of large-scale structure using the northern region of the CMASS Data Release 10 (DR10) sample of the SDSS-III Baryon Oscillation Spectroscopic Survey. We select galaxies with redshift 0.452 < z < 0.625 and with a stellar mass M stellar > 10 11.56 M ☉ . We study the topology at two smoothing lengths: R G = 21 h –1 Mpc and R G = 34 h –1 Mpc. The genus topology studied at the R G = 21 h –1 Mpc scale results in the highest genus amplitude observed to date. The CMASS sample yields a genus curve that is characteristic of one produced by Gaussian random phase initial conditions. The data thus support the standard model of inflation where random quantum fluctuations in the early universe produced Gaussian random phase initial conditions. Modest deviations in the observed genus from random phase are as expected from shot noise effects and the nonlinear evolution of structure. We suggest the use of a fitting formula motivated by perturbation theory to characterize the shift and asymmetries in the observed genus curve with a single parameter. We construct 54 mock SDSS CMASS surveys along the past light cone from the Horizon Run 3 (HR3) N-body simulations, where gravitationally bound dark matter subhalos are identified as the sites of galaxy formation. We study the genus topology of the HR3 mock surveys with the same geometry and sampling density as the observational sample and find the observed genus topology to be consistent with ΛCDM as simulated by the HR3 mock samples. We conclude that the topology of the large-scale structure in the SDSS CMASS sample is consistent with cosmological models having primordial Gaussian density fluctuations growing in accordance with general relativity to form galaxies in massive dark matter halos.

  20. Factor structure of the Millon Clinical Multiaxial Inventory (MCMI) with an offender sample.

    Science.gov (United States)

    McCormack, J K; Barnett, R W; Wallbrown, F H

    1989-01-01

    One thousand two hundred inmates were given the Millon Clinical Multiaxial Inventory (MCMI) in a midwestern reception and diagnostic center. Two groups of 600 were randomly divided, and their test results were subjected to a principal components factor analysis. Four factors were derived in both groups and were similar, indicating successful cross-validation. Three of the four factors bore similarity to factors found in other samples (drug abusers, psychiatric population, Viet Nam veterans), and the fourth was unique to the offender population.

  1. Dynamics and Robust Control of Sampled Data Systems for Large Space Structures

    Science.gov (United States)

    1992-11-01

    ix LIST OF TABLES ....................................... xii CHAPTER 1 - INTRODUCTION ............................... 1...7 The Effect of Different Sampling Periods on the Open and Closed Loop System Eigenvalues and Moduli 137 xii CHAPTER 1 - INTRODUCTION The Solar...terms, g,, represent the gravitational force acting on the nt mode due to the elastic motion on the mth mode. gq- f Mcdm -Am L M- (51) vol M d The term

  2. Sampling-Based Coverage Path Planning for Complex 3D Structures

    Science.gov (United States)

    2012-09-01

    not only are divers at risk of serious injury , but there is a possibility that hidden ordinance may go undetected if any portion of the hull is missed...coverage planning problem. Definition 6 (Probabilistic Completeness of a Local Coverage Planning Algorithm). Let LCA be a proposed algorithm for the...clearance from obstacles along the full length of the path, the probability that such a path is found by LCA approaches one as the number of samples drawn

  3. Sampling of Stochastic Input Parameters for Rockfall Calculations and for Structural Response Calculations Under Vibratory Ground Motion

    International Nuclear Information System (INIS)

    M. Gross

    2004-01-01

    The purpose of this scientific analysis is to define the sampled values of stochastic (random) input parameters for (1) rockfall calculations in the lithophysal and nonlithophysal zones under vibratory ground motions, and (2) structural response calculations for the drip shield and waste package under vibratory ground motions. This analysis supplies: (1) Sampled values of ground motion time history and synthetic fracture pattern for analysis of rockfall in emplacement drifts in nonlithophysal rock (Section 6.3 of ''Drift Degradation Analysis'', BSC 2004 [DIRS 166107]); (2) Sampled values of ground motion time history and rock mechanical properties category for analysis of rockfall in emplacement drifts in lithophysal rock (Section 6.4 of ''Drift Degradation Analysis'', BSC 2004 [DIRS 166107]); (3) Sampled values of ground motion time history and metal to metal and metal to rock friction coefficient for analysis of waste package and drip shield damage to vibratory motion in ''Structural Calculations of Waste Package Exposed to Vibratory Ground Motion'' (BSC 2004 [DIRS 167083]) and in ''Structural Calculations of Drip Shield Exposed to Vibratory Ground Motion'' (BSC 2003 [DIRS 163425]). The sampled values are indices representing the number of ground motion time histories, number of fracture patterns and rock mass properties categories. These indices are translated into actual values within the respective analysis and model reports or calculations. This report identifies the uncertain parameters and documents the sampled values for these parameters. The sampled values are determined by GoldSim V6.04.007 [DIRS 151202] calculations using appropriate distribution types and parameter ranges. No software development or model development was required for these calculations. The calculation of the sampled values allows parameter uncertainty to be incorporated into the rockfall and structural response calculations that support development of the seismic scenario for the

  4. Chemical structures and thermal properties of polyesters obtained from different samples of bio diesel epoxidized

    International Nuclear Information System (INIS)

    Samios, Dimitrios; Reiznautt, Quelen B.; Nicolau, Aline; Martini, Denise D.; Chagas, Arthur L. das

    2009-01-01

    In this work new structures from oligo esters and polyesters from different oils (olive oil, sunflower oil and linseed oil) were synthesized and characterized. Oligo esters and polyesters were synthesized from the reaction of fatty acid methyl epoxy-esters, obtained from different oils, with cis-1,2-cyclohexanedicarboxylic anhydride in the presence of triethylamine (TEA). Different amounts of the resin 1,4-butanediol diglycidyl ether (BDGE) were added in order to increase the capacity of crosslinking. The molar ratio of BDGE used in system was between 0 and 0.066. The intermediate structures, as well as the oligo esters and polyesters produced, were analyzed by using Fourier Transform Infrared Spectroscopy and Nuclear Magnetic Resonance ( 1 H - NMR). The thermal behavior of the products was realized through differential scanning calorimetry and Thermogravimetric analyses. The presence of BDGE in the materials chains increases the bonding capacity resulting in a higher molecular weight material which presents good thermal stability. (author)

  5. Continuous quality control of the blood sampling procedure using a structured observation scheme

    OpenAIRE

    Lindberg Seemann, Tine; Nybo, Mads

    2016-01-01

    INTRODUCTION: An observational study was conducted using a structured observation scheme to assess compliance with the local phlebotomy guideline, to identify necessary focus items, and to investigate whether adherence to the phlebotomy guideline improved.MATERIALS AND METHODS: The questionnaire from the EFLM Working Group for the Preanalytical Phase was adapted to local procedures. A pilot study of three months duration was conducted. Based on this, corrective actions were implemented and a ...

  6. Structure of the DSM-5 generalized anxiety disorder criteria among a large community sample of worriers.

    Science.gov (United States)

    Hobbs, Megan J; Anderson, Tracy M; Slade, Tim; Andrews, Gavin

    2014-03-01

    There is growing empirical and clinical consensus that many psychiatric disorders are continuous in nature. The DSM-5 however makes a categorical distinction between subthreshold and threshold cases of generalized anxiety disorder (GAD). This study tested the a priori assumption that the DSM-5 criteria identify a break in psychopathology between subthreshold and threshold cases of GAD. Respondents of the 2007 National Survey of Mental Health and Well Being who self-identified as worriers were selected for analyses (n=1738). The GAD criteria were assessed using the World Mental Health version of the Composite International Diagnostic Interview. Item response, latent class and factor mixture models were estimated to assess the structure of the GAD criteria. The relative fit of the latent variable models suggested that a single continuous factor explains the way that worriers endorse the GAD criteria. However, the similar psychometric properties of the GAD criteria suggested that the GAD criteria impose a relatively finite threshold over this dimension of severity. Although these structural analyses did not identify a break in psychopathology between subthreshold and threshold cases of GAD based on the way that respondents endorsed the DSM-5 criteria, it is possible that structural analyses of risk factors and other clinical correlates of GAD may identify such a break in the future. These data suggest that the DSM-5 GAD criteria lend themselves to making both categorical decisions about cases as well as being indices of a continuum of severity. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. The Health Behavior Checklist: Factor structure in community samples and validity of a revised good health practices scale.

    Science.gov (United States)

    Hampson, Sarah E; Edmonds, Grant W; Goldberg, Lewis R

    2017-01-01

    This study examined the factor structure and predictive validity of the commonly used multidimensional Health Behavior Checklist. A three-factor structure was found in two community samples that included men and women. The new 16-item Good Health Practices scale and the original Wellness Maintenance scale were the only Health Behavior Checklist scales to be related to cardiovascular and metabolic risk factors. While the other Health Behavior Checklist scales require further validation, the Good Health Practices scale could be used where more objective or longer measures are not feasible.

  8. Bulk analysis of silver, lead and zinc in drill cores

    International Nuclear Information System (INIS)

    Ellis, W.K.; Sowerby, B.D.; Rainey, P.T.; Dekker, D.L.

    1987-01-01

    A bulk analyser is being developed to determine the silver, lead and zinc contents of unsplit drill cores. Laboratory work carried out at Lucas Heights Research Laboratories has shown that the most favourable bulk analysis techniques for the elements silver, lead and zinc are neutron activation, gamma-ray scattering and neutron inelastic scattering respectively. Three measurement stations would be needed. However the same annular borecore holder would be used for all three measurements, so that the operator needs to load the sample only once. Results on a large number of crushed Hilton borecores show that lead can be determined to within 0.7 wt%. Preliminary results indicate that Ag and Zn can be determined to within about 20 ppm and 0.7 wt% respectively. A bulk analyzer based on the above techniques would analyse about 6 samples per hour

  9. GPU-Meta-Storms: computing the structure similarities among massive amount of microbial community samples using GPU.

    Science.gov (United States)

    Su, Xiaoquan; Wang, Xuetao; Jing, Gongchao; Ning, Kang

    2014-04-01

    The number of microbial community samples is increasing with exponential speed. Data-mining among microbial community samples could facilitate the discovery of valuable biological information that is still hidden in the massive data. However, current methods for the comparison among microbial communities are limited by their ability to process large amount of samples each with complex community structure. We have developed an optimized GPU-based software, GPU-Meta-Storms, to efficiently measure the quantitative phylogenetic similarity among massive amount of microbial community samples. Our results have shown that GPU-Meta-Storms would be able to compute the pair-wise similarity scores for 10 240 samples within 20 min, which gained a speed-up of >17 000 times compared with single-core CPU, and >2600 times compared with 16-core CPU. Therefore, the high-performance of GPU-Meta-Storms could facilitate in-depth data mining among massive microbial community samples, and make the real-time analysis and monitoring of temporal or conditional changes for microbial communities possible. GPU-Meta-Storms is implemented by CUDA (Compute Unified Device Architecture) and C++. Source code is available at http://www.computationalbioenergy.org/meta-storms.html.

  10. Fast protein loop sampling and structure prediction using distance-guided sequential chain-growth Monte Carlo method.

    Directory of Open Access Journals (Sweden)

    Ke Tang

    2014-04-01

    Full Text Available Loops in proteins are flexible regions connecting regular secondary structures. They are often involved in protein functions through interacting with other molecules. The irregularity and flexibility of loops make their structures difficult to determine experimentally and challenging to model computationally. Conformation sampling and energy evaluation are the two key components in loop modeling. We have developed a new method for loop conformation sampling and prediction based on a chain growth sequential Monte Carlo sampling strategy, called Distance-guided Sequential chain-Growth Monte Carlo (DISGRO. With an energy function designed specifically for loops, our method can efficiently generate high quality loop conformations with low energy that are enriched with near-native loop structures. The average minimum global backbone RMSD for 1,000 conformations of 12-residue loops is 1:53 A° , with a lowest energy RMSD of 2:99 A° , and an average ensembleRMSD of 5:23 A° . A novel geometric criterion is applied to speed up calculations. The computational cost of generating 1,000 conformations for each of the x loops in a benchmark dataset is only about 10 cpu minutes for 12-residue loops, compared to ca 180 cpu minutes using the FALCm method. Test results on benchmark datasets show that DISGRO performs comparably or better than previous successful methods, while requiring far less computing time. DISGRO is especially effective in modeling longer loops (10-17 residues.

  11. The perceived stress scale (PSS): normative data and factor structure for a large-scale sample in Mexico.

    Science.gov (United States)

    González-Ramírez, Mónica Teresa; Rodríguez-Ayán, María Noel; Hernández, René Landero

    2013-01-01

    One of the most widely used scales for the evaluation of stress is the Perceived Stress Scale (PSS), and it has been adapted into different languages. However, few studies have presented normative data from large samples, and there do not appear to be any studies of the PSS that provide normative data based on large samples for Mexico. Thus, the goal of this study was to provide normative data regarding gender and different age groups for a sample of 1990 Mexican subjects to validate the factor structure of the construct for this sample. The analysis of the 10- and 14-item versions of the PSS revealed that the scale had adequate reliability and that the factor structure was consistent with previous studies. With respect to the normative data, the means of the different groups ranged from 20.93 to 25.63 for the PSS14 and from 14.52 to 17.73 for the PSS10. We propose that scores within one standard deviation of these means be used as reference values for each group.

  12. Bulk dynamics for interfacial growth models

    OpenAIRE

    Lopez, Cristobal; Garrido, Pedro L.; Santos, Francisco de los

    2000-01-01

    We study the influence of the bulk dynamics of a growing cluster of particles on the properties of its interface. First, we define a general bulk growth model by means of a continuum Master equation for the evolution of the bulk density field. This general model just considers an arbitrary addition of particles (though it can be easily generalized to consider subtraction) with no other physical restriction. The corresponding Langevin equation for this bulk density field is derived where the i...

  13. The Factor Structure of the Revised Cheek and Buss Shyness Scale in an Undergraduate University Sample

    Directory of Open Access Journals (Sweden)

    Shahrum Vahedi

    2011-01-01

    Full Text Available The present study examined the psychometric properties of the Persian version of the Revised Cheek and Buss Shyness Scale (RCBS using confirmatory factor analysis among (n = 300 college students. Results indicated that unidimensional measurement model of the RCBS did not provide the best fit for the data. Then three measurement models were tested, and the results showed that a two-factor model taking into account differences in the direction of item wording provided a satisfactory and parsimonious fit to the data. Multi-group confirmatory factor analysis was used to better understand the factorial invariance of the scale across genders, and indicated that two-factor structure of the RCBS was equivalent across genders. Supplementary t-tests revealed no other gender differences on shyness.

  14. Sólidos totais do leite em amostras de tanque nos estados do Paraná, Santa Catarina e São Paulo Milk total solids in bulk tank samples of Paraná, Santa Catarina and São Paulo States

    Directory of Open Access Journals (Sweden)

    Newton Pohl Ribas

    2004-12-01

    Full Text Available Objetivou-se, neste trabalho, estudar a variação dos sólidos totais em amostras de leite de tanques de 32.590 rebanhos dos estados do Paraná, Santa Catarina e São Paulo. Foram analisadas 257.540 amostras de leite de tanques coletadas entre janeiro de 1999 e novembro de 2001, no Laboratório Central do Programa de Análise de Rebanhos Leiteiros do Paraná (PARLPR, da Associação Paranaense de Criadores de Bovinos da Raça Holandesa. Utilizando-se o método dos quadrados mínimos, foram estudados os efeitos de rebanho, região, mês e ano de análise, idade da amostra e escore de células somáticas sobre os sólidos totais, em amostras de leite de tanques. As médias ajustadas dos sólidos totais por região variaram de 11,78 a 12,83%; a maior média foi verificada em maio de 2001 e a menor, em janeiro de 2000; os sólidos totais não demonstraram variação até o quinto dia de análise; o efeito de escore de células somáticas foi contraditório, se comparado aos relatados por outros autores. Todos os fatores incluídos no modelo linear foram altamente significativos sobre as características analisadas. O coeficiente de correlação entre sólidos totais e seus componentes foi de 0,875 para gordura, 0,653 para proteína, 0,237 para lactose, e 0,643 para sólidos não-gordurosos. A correlação de sólidos totais com contagem de células somáticas foi 0,012, e com escore de células somáticas, de 0,023.The objective of this research was to study the variation of total solids in bulk tank milk samples in 32,590 herds of Paraná, Santa Catarina and São Paulo states, in Brazil. A total of 257,540 bulk tank samples collected between January 1999 and November 2001 were analyzed at the Central Laboratory of the Programa de Análise dos Rebanhos Leiteiros do Paraná (PARLPR of the Holstein Association of the state of Paraná. Least Square Means Method procedures were used to study the effects of herd, region, month and year of test, age of

  15. Sample preparation of biological macromolecular assemblies for the determination of high-resolution structures by cryo-electron microscopy.

    Science.gov (United States)

    Stark, Holger; Chari, Ashwin

    2016-02-01

    Single particle cryo-EM has recently developed into a powerful tool to determine the 3D structure of macromolecular complexes at near-atomic resolution, which allows structural biologists to build atomic models of proteins. All technical aspects of cryo-EM technology have been considerably improved over the last two decades, including electron microscopic hardware, image processing software and the ever growing speed of computers. This leads to a more widespread use of the technique, and it can be anticipated that further automation of electron microscopes and image processing tools will soon fully shift the focus away from the technological aspects, onto biological questions that can be answered. In single particle cryo-EM, no crystals of a macromolecule are required. In contrast to X-ray crystallography, this significantly facilitates structure determination by cryo-EM. Nevertheless, a relatively high level of biochemical control is still essential to obtain high-resolution structures by cryo-EM, and it can be anticipated that the success of the cryo-EM technology goes hand in hand with further developments of sample purification and preparation techniques. This will allow routine high-resolution structure determination of the many macromolecular complexes of the cell that until now represent evasive targets for X-ray crystallographers. Here we discuss the various biochemical tools that are currently available and the existing sample purification and preparation techniques for cryo-EM grid preparation that are needed to obtain high-resolution images for structure determination. © The Author 2015. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  16. Estimating bulk density of compacted grains in storage bins and modifications of Janssen's load equations as affected by bulk density.

    Science.gov (United States)

    Haque, Ekramul

    2013-03-01

    Janssen created a classical theory based on calculus to estimate static vertical and horizontal pressures within beds of bulk corn. Even today, his equations are widely used to calculate static loadings imposed by granular materials stored in bins. Many standards such as American Concrete Institute (ACI) 313, American Society of Agricultural and Biological Engineers EP 433, German DIN 1055, Canadian Farm Building Code (CFBC), European Code (ENV 1991-4), and Australian Code AS 3774 incorporated Janssen's equations as the standards for static load calculations on bins. One of the main drawbacks of Janssen's equations is the assumption that the bulk density of the stored product remains constant throughout the entire bin. While for all practical purposes, this is true for small bins; in modern commercial-size bins, bulk density of grains substantially increases due to compressive and hoop stresses. Over pressure factors are applied to Janssen loadings to satisfy practical situations such as dynamic loads due to bin filling and emptying, but there are limited theoretical methods available that include the effects of increased bulk density on the loadings of grain transmitted to the storage structures. This article develops a mathematical equation relating the specific weight as a function of location and other variables of materials and storage. It was found that the bulk density of stored granular materials increased with the depth according to a mathematical equation relating the two variables, and applying this bulk-density function, Janssen's equations for vertical and horizontal pressures were modified as presented in this article. The validity of this specific weight function was tested by using the principles of mathematics. As expected, calculations of loads based on the modified equations were consistently higher than the Janssen loadings based on noncompacted bulk densities for all grain depths and types accounting for the effects of increased bulk densities

  17. Visualization of Bulk Magnetic Properties by Neutron Grating Interferometry

    Science.gov (United States)

    Betz, B.; Rauscher, P.; Siebert, R.; Schaefer, R.; Kaestner, A.; Van Swygenhoven, H.; Lehmann, E.; Grünzweig, C.

    The neutron Grating Interferometer (nGI) is a standard user instrument at the cold neutron imaging beamline ICON (Kaestner, 2011) at the neutron source SINQ at Paul Scherrer Institute (PSI), Switzerland. The setup is able to deliver simultaneously information about the attenuation, phase shift (DPC) (Pfeiffer, 2006) and scattering properties in the so-called dark-field image (DFI) (Grünzweig, 2008-I) of a sample. Since neutrons only interact with the nucleus they are often able to penetrate deeper into matter than X-rays, in particular heavier materials. A further advantage of neutrons compared to X-rays is the interaction of the neutron's magnetic moment with magnetic structures that allows for the bulk investigation of magnetic domain structures using the nGI technique (Grünzweig, 2008-II). The nGI-setup and its technique for imaging with cold neutrons is presented in this contribution. The main focus will be on magnetic investigations of electrical steel laminations using the nGI technique. Both, grain-oriented (GO) and non-oriented (NO) laminations will be presented. GO-laminations are widely used in industrial transformer applications, while NO-sheets are common in electrical machines. For grain-oriented sheet, domain walls were visualized individually,spatially resolved, while in NO-sheet a relative density distribution is depicted.

  18. Ab-initio investigations of the electronic properties of bulk wurtzite Beryllia and its derived nanofilms

    KAUST Repository

    Goumri-Said, Souraya

    2010-08-01

    In this Letter we investigate the electronic properties of the bulk and the nanofilm BeO in wurtzite structure. We performed a first-principles pseudo-potential method within the generalized gradient approximation. We will give more importance to the changes in band structure and density of states between the bulk structure and its derived nanofilms. The bonding characterization will be investigated via the analysis Mulliken population and charge density contours. It is found that the nanofilm retains the same properties as its bulk structure with slight changes in electronic properties and band structure which may offer some unusual transport properties. © 2010 Elsevier B.V. All rights reserved.

  19. Optimized cryo-focused ion beam sample preparation aimed at in situ structural studies of membrane proteins.

    Science.gov (United States)

    Schaffer, Miroslava; Mahamid, Julia; Engel, Benjamin D; Laugks, Tim; Baumeister, Wolfgang; Plitzko, Jürgen M

    2017-02-01

    While cryo-electron tomography (cryo-ET) can reveal biological structures in their native state within the cellular environment, it requires the production of high-quality frozen-hydrated sections that are thinner than 300nm. Sample requirements are even more stringent for the visualization of membrane-bound protein complexes within dense cellular regions. Focused ion beam (FIB) sample preparation for transmission electron microscopy (TEM) is a well-established technique in material science, but there are only few examples of biological samples exhibiting sufficient quality for high-resolution in situ investigation by cryo-ET. In this work, we present a comprehensive description of a cryo-sample preparation workflow incorporating additional conductive-coating procedures. These coating steps eliminate the adverse effects of sample charging on imaging with the Volta phase plate, allowing data acquisition with improved contrast. We discuss optimized FIB milling strategies adapted from material science and each critical step required to produce homogeneously thin, non-charging FIB lamellas that make large areas of unperturbed HeLa and Chlamydomonas cells accessible for cryo-ET at molecular resolution. Copyright © 2016 Elsevier Inc. All rights reserved.

  20. Factor Structure of the Gotland Scale of Male Depression in Two Samples of Men With Prostate Cancer

    Science.gov (United States)

    Sharpley, Christopher F.; Bitsika, Vicki; Christie, David R. H.; Hunter, Myra S.

    2016-01-01

    Up to a quarter of all prostate cancer (PCa) patients suffer from clinically significant depression but treatments are inconsistent and short-lived in their efficacy. One possible reason could be that “male depression” is not adequately diagnosed by the criteria for major depressive disorder (MDD) used in many clinical settings. In response to this limitation, the Gotland Scale of Male Depression (GSMD) was developed to identify the extra symptoms of MDD in men. Although the factor structure of the GSMD has been reported in non-PCa samples, it has not been determined for this group of men. Two samples of PCa patients were recruited, 191 from Australia and 138 from the United Kingdom and all patients received the GSMD individually, plus a background questionnaire. Two-factor solutions were identified for each of the two samples. The Australian sample was characterized by changes in emotional and somatic function, followed by depressed mood. The U.K. sample exhibited the same two-factor solution but in reverse order of weighting. Targeted treatments for depression in PCa patients may benefit from identification of the loadings that individual patients have on these two GSMD factors so that specific clinical profiles and treatment needs may be based on this information about their depression. PMID:26272886

  1. Structure and Validity of Affect Knowledge Test (AKT) in a Sample of Italian Preschoolers.

    Science.gov (United States)

    Sette, Stefania; Bassett, Hideko H; Baumgartner, Emma; Denham, Susanne A

    2015-01-01

    The authors' main goals were to examine whether the Affect Knowledge Test's (AKT) factor structure would be represented by a two-factor model (i.e., emotion recognition and situation knowledge) or by a one-factor model in Italian preschoolers (N = 164; M = 4.24 years, SD = 1.09 years). The concurrent validity of the AKT was further examined using measures of social competence. The findings replicated a model of emotion knowledge, with emotion recognition and situation knowledge as distinct but interrelated factors. Gender and age differences showed that older children and girls displayed higher scores in situation knowledge than younger children and boys. Additionally, our validity model of the AKT demonstrated that emotion recognition preceded situation knowledge, which in turn was positively related to children's sensitive or cooperative behaviors and negatively associated with anxious or withdrawn behaviors. Our results suggest that the use of the AKT may help the teachers to evaluate children's level on emotional knowledge that in turn might impact on children's positive social relationships within classroom in Italy.

  2. Factor structure of the Bern Psychopathology Scale in a sample of patients with schizophrenia spectrum disorders.

    Science.gov (United States)

    Lang, Fabian U; Stierlin, Annabel S; Stegmayer, Katharina; Walther, Sebastian; Becker, Thomas; Jäger, Markus

    2015-10-01

    The Bern Psychopathology Scale (BPS) is based on a system-specific approach to classifying the psychopathological symptom pattern of schizophrenia. It consists of subscales for three domains (language, affect and motor behaviour) that are hypothesized to be related to specific brain circuits. The aim of the study was to examine the factor structure of the BPS in patients with schizophrenia spectrum disorders. One hundred and forty-nine inpatients with schizophrenia spectrum disorders were recruited at the Department of Psychiatry II, Ulm University, Germany (n=100) and at the University Hospital of Psychiatry, Bern, Switzerland (n=49). Psychopathology was assessed with the BPS. The VARCLUS procedure of SAS(®) (a type of oblique component analysis) was used for statistical analysis. Six clusters were identified (inhibited language, inhibited motor behaviour, inhibited affect, disinhibited affect, disinhibited language/motor behaviour, inhibited language/motor behaviour) which explained 40.13% of the total variance of the data. A binary division of attributes into an inhibited and disinhibited cluster was appropriate, although an overlap was found between the language and motor behaviour domains. There was a clear distinction between qualitative and quantitative symptoms. The results argue for the validity of the BPS in identifying subsyndromes of schizophrenia spectrum disorders according to a dimensional approach. Future research should address the longitudinal assessment of dimensional psychopathological symptoms and elucidate the underlying neurobiological processes. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  3. Plant Structure and Specificity - Challenges and Sample Preparation Considerations for Proteomics.

    Science.gov (United States)

    Alvarez, Sophie; Naldrett, Michael J

    2016-01-01

    Plants are considered as a simple structured organism when compared to humans and other vertebrates. The number of organs and tissue types is very limited. Instead the origin of the complexity comes from the high number and variety of plant species that exist, with >300,000 compared to 5000 in mammals. Proteomics, defined as the large-scale study of the proteins present in a tissue, cell or cellular compartment at a defined time point, was introduced in 1994. However, the first publications reported in the plant proteomics field only appeared at the beginning of the twenty-first century. Since these early years, the increase of proteomic studies in plants has only followed a linear trend. The main reason for this stems from the challenges specific to studying plants, those of protein extraction from cells with variously strengthened cellulosic cell walls, and a high abundance of interfering compounds, such as phenolic compounds and pigments located in plastids throughout the plant. Indeed, the heterogeneity between different organs and tissue types, between species and different developmental stages, requires the use of optimized plant protein extraction methods as described in this section. The second bottleneck of plant proteomics, which will not be discussed or reviewed here, is the lack of genomic information. Without sequence databases of the >300,000 species, proteomic studies of plants, especially of those that are not considered economically relevant, are impossible to accomplish.

  4. Numerical modelling of iron-pnictide bulk superconductor magnetization

    Science.gov (United States)

    Ainslie, Mark D.; Yamamoto, Akiyasu; Fujishiro, Hiroyuki; Weiss, Jeremy D.; Hellstrom, Eric E.

    2017-10-01

    Iron-based superconductors exhibit a number of properties attractive for applications, including low anisotropy, high upper critical magnetic fields (H c2) in excess of 90 T and intrinsic critical current densities above 1 MA cm-2 (0 T, 4.2 K). It was shown recently that bulk iron-pnictide superconducting magnets capable of trapping over 1 T (5 K) and 0.5 T (20 K) can be fabricated with fine-grain polycrystalline Ba0.6K0.4Fe2As2 (Ba122). These Ba122 magnets were processed by a scalable, versatile and low-cost method using common industrial ceramic processing techniques. In this paper, a standard numerical modelling technique, based on a 2D axisymmetric finite-element model implementing the H -formulation, is used to investigate the magnetisation properties of such iron-pnictide bulk superconductors. Using the measured J c(B, T) characteristics of a small specimen taken from a bulk Ba122 sample, experimentally measured trapped fields are reproduced well for a single bulk, as well as a stack of bulks. Additionally, the influence of the geometric dimensions (thickness and diameter) on the trapped field is analysed, with a view of fabricating larger samples to increase the magnetic field available from such trapped field magnets. It is shown that, with current state-of-the-art superconducting properties, surface trapped fields >2 T could readily be achieved at 5 K (and >1 T at 20 K) with a sample of diameter 50 mm. Finally, an aspect ratio of between 1 and 1.5 for R/H (radius/thickness) would be an appropriate compromise between the accessible, surface trapped field and volume of superconducting material for bulk Ba122 magnets.

  5. Handling of bulk solids theory and practice

    CERN Document Server

    Shamlou, P A

    1990-01-01

    Handling of Bulk Solids provides a comprehensive discussion of the field of solids flow and handling in the process industries. Presentation of the subject follows classical lines of separate discussions for each topic, so each chapter is self-contained and can be read on its own. Topics discussed include bulk solids flow and handling properties; pressure profiles in bulk solids storage vessels; the design of storage silos for reliable discharge of bulk materials; gravity flow of particulate materials from storage vessels; pneumatic transportation of bulk solids; and the hazards of solid-mater

  6. Coarse-Grained Conformational Sampling of Protein Structure Improves the Fit to Experimental Hydrogen-Exchange Data.

    Science.gov (United States)

    Devaurs, Didier; Antunes, Dinler A; Papanastasiou, Malvina; Moll, Mark; Ricklin, Daniel; Lambris, John D; Kavraki, Lydia E

    2017-01-01

    Monitoring hydrogen/deuterium exchange (HDX) undergone by a protein in solution produces experimental data that translates into valuable information about the protein's structure. Data produced by HDX experiments is often interpreted using a crystal structure of the protein, when available. However, it has been shown that the correspondence between experimental HDX data and crystal structures is often not satisfactory. This creates difficulties when trying to perform a structural analysis of the HDX data. In this paper, we evaluate several strategies to obtain a conformation providing a good fit to the experimental HDX data, which is a premise of an accurate structural analysis. We show that performing molecular dynamics simulations can be inadequate to obtain such conformations, and we propose a novel methodology involving a coarse-grained conformational sampling approach instead. By extensively exploring the intrinsic flexibility of a protein with this approach, we produce a conformational ensemble from which we extract a single conformation providing a good fit to the experimental HDX data. We successfully demonstrate the applicability of our method to four small and medium-sized proteins.

  7. The structure of post-traumatic stress disorder symptoms in three female trauma samples: A comparison of interview and self-report measures

    Science.gov (United States)

    Scher, Christine D.; McCreary, Donald R.; Asmundson, Gordon J.G.; Resick, Patricia A.

    2009-01-01

    Empirical research increasingly suggests that post-traumatic stress disorder (PTSD) is comprised of four factors: re-experiencing, avoidance, numbing, and hyperarousal. Nonetheless, there remains some inconsistency in the findings of factor analyses that form the bulk of this empirical literature. One source of such inconsistency may be assessment measure idiosyncrasies. To examine this issue, we conducted confirmatory factor analyses of interview and self-report data across three trauma samples. Analyses of the interview data indicated a good fit for a four-factor model across all samples; analyses of the self-report data indicated an adequate fit in two of three samples. Overall, findings suggest that measure idiosyncrasies may account for some of the inconsistency in previous factor analyses of PTSD symptoms. PMID:18206346

  8. Evaluation of Color Stability and Surface Roughness of Bulk-Fill Resin Composites and Nanocomposites

    OpenAIRE

    Muhammet Karadaş; Sezer Demirbuğa

    2017-01-01

    Objective: The purpose of this study was to evaluate the color stability and surface roughness of four bulk-fill resin composites (SonicFill, Filtek Bulk Fill Flowable, X-tra fil, Filtek Bulk Fill Posterior) and three nanocomposites (G-aenial Universal Flo, Herculite XRV Ultra, Filtek Ultimate) after an aging simulation. Materials and Methods: The upper surfaces of prepared composite discs were polished with Sof-Lex discs. The samples were subjected to a thermocycling process for 3000 cyc...

  9. Surrogate accelerated sampling of reservoir models with complex structures using sparse polynomial chaos expansion

    Science.gov (United States)

    Bazargan, Hamid; Christie, Mike; Elsheikh, Ahmed H.; Ahmadi, Mohammad

    2015-12-01

    -simulator for efficient sampling of the probability density function of the uncertain variables. The reduced-terms PCE is evaluated on a two dimensional subsurface flow model with fluvial channels to demonstrate that with a few hundred trial runs of the actual reservoir simulator, it is feasible to construct a polynomial chaos proxy which accurately approximates the posterior distribution of the high permeability zones, in an analytical form. We show that the proxy precision improves with increasing the order of PCE and corresponding increase of the number of initial runs used to estimate the PCE coefficient.

  10. Synthesis, characterization and nitrite ion sensing performance of reclaimable composite samples through a core-shell structure

    Science.gov (United States)

    Cui, Xiao; Yuqing, Zhao; Cui, Jiantao; Zheng, Qian; Bo, Wang

    2018-02-01

    The following paper reported and discussed a nitrite ion optical sensing platform based on a core-shell structure, using superamagnetic nanoparticles as the core, a silica molecular sieve MCM-41 as the shell and two rhodamine derivatives as probe, respectively. This superamagnetic core made this sensing platform reclaimable after finishing nitrite ion sensing procedure. This sensing platform was carefully characterized by means of electron microscopy images, porous structure analysis, magnetic response, IR spectra and thermal stability analysis. Detailed analysis suggested that the emission of these composite samples was quenchable by nitrite ion, showing emission turn off effect. A static sensing mechanism based on an additive reaction between chemosensors and nitrite ion was proposed. These composite samples followed Demas quenching equation against different nitrite ion concentrations. Limit of detection value was obtained as low as 0.4 μM. It was found that, after being quenched by nitrite ion, these composite samples could be reclaimed and recovered by sulphamic acid, confirming their recyclability.

  11. Synthesis, characterization and nitrite ion sensing performance of reclaimable composite samples through a core-shell structure.

    Science.gov (United States)

    Cui, Xiao; Yuqing, Zhao; Cui, Jiantao; Zheng, Qian; Bo, Wang

    2018-02-15

    The following paper reported and discussed a nitrite ion optical sensing platform based on a core-shell structure, using superamagnetic nanoparticles as the core, a silica molecular sieve MCM-41 as the shell and two rhodamine derivatives as probe, respectively. This superamagnetic core made this sensing platform reclaimable after finishing nitrite ion sensing procedure. This sensing platform was carefully characterized by means of electron microscopy images, porous structure analysis, magnetic response, IR spectra and thermal stability analysis. Detailed analysis suggested that the emission of these composite samples was quenchable by nitrite ion, showing emission turn off effect. A static sensing mechanism based on an additive reaction between chemosensors and nitrite ion was proposed. These composite samples followed Demas quenching equation against different nitrite ion concentrations. Limit of detection value was obtained as low as 0.4μM. It was found that, after being quenched by nitrite ion, these composite samples could be reclaimed and recovered by sulphamic acid, confirming their recyclability. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Solid state properties from bulk to nano

    CERN Document Server

    Dresselhaus, Mildred; Cronin, Stephen; Gomes Souza Filho, Antonio

    2018-01-01

    This book fills a gap between many of the basic solid state physics and materials science books that are currently available. It is written for a mixed audience of electrical engineering and applied physics students who have some knowledge of elementary undergraduate quantum mechanics and statistical mechanics. This book, based on a successful course taught at MIT, is divided pedagogically into three parts: (I) Electronic Structure, (II) Transport Properties, and (III) Optical Properties. Each topic is explained in the context of bulk materials and then extended to low-dimensional materials where applicable. Problem sets review the content of each chapter to help students to understand the material described in each of the chapters more deeply and to prepare them to master the next chapters.

  13. Plasma oscillations in porous samples

    Directory of Open Access Journals (Sweden)

    Kornyushin Y.

    2004-01-01

    Full Text Available The influence of the shape of a sample on the type of uniform dipole collective electrons oscillations is discussed. In samples of a bulk shape uniform bulk dipole oscillations cannot exist. They exist in samples of a thin slab shape only. However in essentially porous materials the electrostatic energy of the oscillation in a sample is considerably larger thus leading to stronger restoring force and higher frequency of the oscillation. When this frequency exceeds the Langmuir frequency, the oscillation becomes of a bulk type. .

  14. Evaluating the stability of DSM-5 PTSD symptom network structure in a national sample of U.S. military veterans.

    Science.gov (United States)

    von Stockert, Sophia H H; Fried, Eiko I; Armour, Cherie; Pietrzak, Robert H

    2018-03-15

    Previous studies have used network models to investigate how PTSD symptoms associate with each other. However, analyses examining the degree to which these networks are stable over time, which are critical to identifying symptoms that may contribute to the chronicity of this disorder, are scarce. In the current study, we evaluated the temporal stability of DSM-5 PTSD symptom networks over a three-year period in a nationally representative sample of trauma-exposed U.S. military veterans. Data were analyzed from 611 trauma-exposed U.S. military veterans who participated in the National Health and Resilience in Veterans Study (NHRVS). We estimated regularized partial correlation networks of DSM-5 PTSD symptoms at baseline (Time 1) and at three-year follow-up (Time 2), and examined their temporal stability. Evaluation of the network structure of PTSD symptoms at Time 1 and Time 2 using a formal network comparison indicated that the Time 1 network did not differ significantly from the Time 2 network with regard to network structure (p = 0.12) or global strength (sum of all absolute associations, i.e. connectivity; p = 0.25). Centrality estimates of both networks (r = 0.86) and adjacency matrices (r = 0.69) were highly correlated. In both networks, avoidance, intrusive, and negative cognition and mood symptoms were among the more central nodes. This study is limited by the use of a self-report instrument to assess PTSD symptoms and recruitment of a relatively homogeneous sample of predominantly older, Caucasian veterans. Results of this study demonstrate the three-year stability of DSM-5 PTSD symptom network structure in a nationally representative sample of trauma-exposed U.S. military veterans. They further suggest that trauma-related avoidance, intrusive, and dysphoric symptoms may contribute to the chronicity of PTSD symptoms in this population. Published by Elsevier B.V.

  15. A Comparison of ML, WLSMV, and Bayesian Methods for Multilevel Structural Equation Models in Small Samples: A Simulation Study.

    Science.gov (United States)

    Holtmann, Jana; Koch, Tobias; Lochner, Katharina; Eid, Michael

    2016-01-01

    Multilevel structural equation models are increasingly applied in psychological research. With increasing model complexity, estimation becomes computationally demanding, and small sample sizes pose further challenges on estimation methods relying on asymptotic theory. Recent developments of Bayesian estimation techniques may help to overcome the shortcomings of classical estimation techniques. The use of potentially inaccurate prior information may, however, have detrimental effects, especially in small samples. The present Monte Carlo simulation study compares the statistical performance of classical estimation techniques with Bayesian estimation using different prior specifications for a two-level SEM with either continuous or ordinal indicators. Using two software programs (Mplus and Stan), differential effects of between- and within-level sample sizes on estimation accuracy were investigated. Moreover, it was tested to which extent inaccurate priors may have detrimental effects on parameter estimates in categorical indicator models. For continuous indicators, Bayesian estimation did not show performance advantages over ML. For categorical indicators, Bayesian estimation outperformed WLSMV solely in case of strongly informative accurate priors. Weakly informative inaccurate priors did not deteriorate performance of the Bayesian approach, while strong informative inaccurate priors led to severely biased estimates even with large sample sizes. With diffuse priors, Stan yielded better results than Mplus in terms of parameter estimates.

  16. Three-dimensional modeling of chromatin structure from interaction frequency data using Markov chain Monte Carlo sampling

    Directory of Open Access Journals (Sweden)

    Dostie Josée

    2011-10-01

    Full Text Available Abstract Background Long-range interactions between regulatory DNA elements such as enhancers, insulators and promoters play an important role in regulating transcription. As chromatin contacts have been found throughout the human genome and in different cell types, spatial transcriptional control is now viewed as a general mechanism of gene expression regulation. Chromosome Conformation Capture Carbon Copy (5C and its variant Hi-C are techniques used to measure the interaction frequency (IF between specific regions of the genome. Our goal is to use the IF data generated by these experiments to computationally model and analyze three-dimensional chromatin organization. Results We formulate a probabilistic model linking 5C/Hi-C data to physical distances and describe a Markov chain Monte Carlo (MCMC approach called MCMC5C to generate a representative sample from the posterior distribution over structures from IF data. Structures produced from parallel MCMC runs on the same dataset demonstrate that our MCMC method mixes quickly and is able to sample from the posterior distribution of structures and find subclasses of structures. Structural properties (base looping, condensation, and local density were defined and their distribution measured across the ensembles of structures generated. We applied these methods to a biological model of human myelomonocyte cellular differentiation and identified distinct chromatin conformation signatures (CCSs corresponding to each of the cellular states. We also demonstrate the ability of our method to run on Hi-C data and produce a model of human chromosome 14 at 1Mb resolution that is consistent with previously observed structural properties as measured by 3D-FISH. Conclusions We believe that tools like MCMC5C are essential for the reliable analysis of data from the 3C-derived techniques such as 5C and Hi-C. By integrating complex, high-dimensional and noisy datasets into an easy to interpret ensemble of three

  17. Three-dimensional modeling of chromatin structure from interaction frequency data using Markov chain Monte Carlo sampling.

    Science.gov (United States)

    Rousseau, Mathieu; Fraser, James; Ferraiuolo, Maria A; Dostie, Josée; Blanchette, Mathieu

    2011-10-25

    Long-range interactions between regulatory DNA elements such as enhancers, insulators and promoters play an important role in regulating transcription. As chromatin contacts have been found throughout the human genome and in different cell types, spatial transcriptional control is now viewed as a general mechanism of gene expression regulation. Chromosome Conformation Capture Carbon Copy (5C) and its variant Hi-C are techniques used to measure the interaction frequency (IF) between specific regions of the genome. Our goal is to use the IF data generated by these experiments to computationally model and analyze three-dimensional chromatin organization. We formulate a probabilistic model linking 5C/Hi-C data to physical distances and describe a Markov chain Monte Carlo (MCMC) approach called MCMC5C to generate a representative sample from the posterior distribution over structures from IF data. Structures produced from parallel MCMC runs on the same dataset demonstrate that our MCMC method mixes quickly and is able to sample from the posterior distribution of structures and find subclasses of structures. Structural properties (base looping, condensation, and local density) were defined and their distribution measured across the ensembles of structures generated. We applied these methods to a biological model of human myelomonocyte cellular differentiation and identified distinct chromatin conformation signatures (CCSs) corresponding to each of the cellular states. We also demonstrate the ability of our method to run on Hi-C data and produce a model of human chromosome 14 at 1Mb resolution that is consistent with previously observed structural properties as measured by 3D-FISH. We believe that tools like MCMC5C are essential for the reliable analysis of data from the 3C-derived techniques such as 5C and Hi-C. By integrating complex, high-dimensional and noisy datasets into an easy to interpret ensemble of three-dimensional conformations, MCMC5C allows researchers to

  18. On-line and bulk analysis for the resource industries

    International Nuclear Information System (INIS)

    Lim, C.S.; Sowerby, B.D.; Tickner, J.R.; Madsen, I.C.

    2001-01-01

    Nuclear techniques are the basis of many CSIRO on-line and bulk analysis systems that are now widely used in the mineral and energy industries. The continuous analysis and rapid response of these systems have led to improved control of mining, processing and blending operations. This paper reviews recent developments in neutron, gamma-ray and X-ray techniques for on-line and bulk analysis by CSIRO Minerals including neutron techniques for the on-conveyor belt determination of the composition of cement raw meal, the on-line analysis of composition in pyrometallurgical applications, the on-conveyor belt determination of ash in coal, and the rapid and accurate determination of gold in bulk laboratory samples. The paper also discusses a new gamma-ray technique for the on-line determination of ash in coal and the application of X-ray diffraction techniques for the on-line determination of mineralogy in the cement industry

  19. Bulk hydrogen analysis, using neutrons

    International Nuclear Information System (INIS)

    Shaikh, A.M.; Sinha, A.; Rajagopal, H.

    1998-01-01

    The project deals with the detection of hydrogen in bulk materials using neutrons. The ubiquitous presence of hydrogen, its very low mass and relatively good neutron cross-section of hydrogen and deuterium can be exploited to study variety of details of hydrogen in metal alloys. Within this CRP the following studies have been carried out: neutron radiography has been applied to study zirconium hydride blisters in zircaloy pressure tube; neutron diffraction has been applied to identify hydride phase in the zircaloy-2 pressure tubes; neutron radiography using epithermal neutrons has been applied to produce radiographs of a thin cellophane film; an electronic imaging system based on commercially available image intensifier tube and low cost CCD camera has been developed and tested

  20. Gold based bulk metallic glass

    Science.gov (United States)

    Schroers, Jan; Lohwongwatana, Boonrat; Johnson, William L.; Peker, Atakan

    2005-08-01

    Gold-based bulk metallic glass alloys based on Au-Cu-Si are introduced. The alloys exhibit a gold content comparable to 18-karat gold. They show very low liquidus temperature, large supercooled liquid region, and good processibility. The maximum casting thickness exceeds 5mm in the best glassformer. Au49Ag5.5Pd2.3Cu26.9Si16.3 has a liquidus temperature of 644K, a glass transition temperature of 401K, and a supercooled liquid region of 58K. The Vickers hardness of the alloys in this system is ˜350Hv, twice that of conventional 18-karat crystalline gold alloys. This combination of properties makes the alloys attractive for many applications including electronic, medical, dental, surface coating, and jewelry.

  1. Hierarchical Structure of the Eysenck Personality Inventory in a Large Population Sample: Goldberg's Trait-Tier Mapping Procedure.

    Science.gov (United States)

    Chapman, Benjamin P; Weiss, Alexander; Barrett, Paul; Duberstein, Paul

    2013-03-01

    The structure of the Eysenck Personality Inventory (EPI) is poorly understood, and applications have mostly been confined to the broad Neuroticism, Extraversion, and Lie scales. Using a hierarchical factoring procedure, we mapped the sequential differentiation of EPI scales from broad, molar factors to more specific, molecular factors, in a UK population sample of over 6500 persons. Replicable facets at the lowest tier of Neuroticism included emotional fragility, mood lability, nervous tension, and rumination. The lowest order set of replicable Extraversion facets consisted of social dynamism, sociotropy, decisiveness, jocularity, social information seeking, and impulsivity. The Lie scale consisted of an interpersonal virtue and a behavioral diligence facet. Users of the EPI may be well served in some circumstances by considering its broad Neuroticism, Extraversion, and Lie scales as multifactorial, a feature that was explicitly incorporated into subsequent Eysenck inventories and is consistent with other hierarchical trait structures.

  2. Association between family structure in childhood and lifetime depressive disorder in adulthood among a nationally representative sample of Blacks.

    Science.gov (United States)

    Gavin, Amelia R; Chae, David H; Takeuchi, David

    2009-01-01

    This study investigated whether there were associations between family structure in childhood and lifetime prevalence of major depressive disorder in adulthood in a representative national sample of 4918 Blacks in the United States. We explored whether the associations between family structure and depressive disorder differed based on four types of family structure: (1) the presence of both biological parents; (2) one biological parent and a nonbiological parent; (3) one biological parent and (4) neither biological parent. The data used were from the National Survey of American Life. In the adjusted analysis, among all respondents, higher odds of major depressive disorder in adulthood were associated with growing up with one biological parent and a nonbiological parent compared to those who grew up with both biological parents. In the analysis stratified by gender, only women who lived with one biological parent and a nonbiological parent during childhood had an increased risk of depressive disorder in adulthood. Growing up in a household with one biological parent and a nonbiological parent was positively associated with depressive disorder in adulthood among Black women. Future studies should continue to explore the pathways linking family structure in childhood to the long-term consequences of depressive disorder.

  3. A tree-like Bayesian structure learning algorithm for small-sample datasets from complex biological model systems.

    Science.gov (United States)

    Yin, Weiwei; Garimalla, Swetha; Moreno, Alberto; Galinski, Mary R; Styczynski, Mark P

    2015-08-28

    There are increasing efforts to bring high-throughput systems biology techniques to bear on complex animal model systems, often with a goal of learning about underlying regulatory network structures (e.g., gene regulatory networks). However, complex animal model systems typically have significant limitations on cohort sizes, number of samples, and the ability to perform follow-up and validation experiments. These constraints are particularly problematic for many current network learning approaches, which require large numbers of samples and may predict many more regulatory relationships than actually exist. Here, we test the idea that by leveraging the accuracy and efficiency of classifiers, we can construct high-quality networks that capture important interactions between variables in datasets with few samples. We start from a previously-developed tree-like Bayesian classifier and generalize its network learning approach to allow for arbitrary depth and complexity of tree-like networks. Using four diverse sample networks, we demonstrate that this approach performs consistently better at low sample sizes than the Sparse Candidate Algorithm, a representative approach for comparison because it is known to generate Bayesian networks with high positive predictive value. We develop and demonstrate a resampling-based approach to enable the identification of a viable root for the learned tree-like network, important for cases where the root of a network is not known a priori. We also develop and demonstrate an integrated resampling-based approach to the reduction of variable space for the learning of the network. Finally, we demonstrate the utility of this approach via the analysis of a transcriptional dataset of a malaria challenge in a non-human primate model system, Macaca mulatta, suggesting the potential to capture indicators of the earliest stages of cellular differentiation during leukopoiesis. We demonstrate that by starting from effective and efficient approaches

  4. Distribution of cations in nanosize and bulk Co-Zn ferrites.

    Science.gov (United States)

    Veverka, M; Jirák, Z; Kaman, O; Knížek, K; Maryško, M; Pollert, E; Závěta, K; Lančok, A; Dlouhá, M; Vratislav, S

    2011-08-26

    The structural and magnetic properties of Co(1-x)Zn(x)Fe2O4 ferrites (Co-Zn ferrites) are investigated in a narrow compositional range around x = 0.6, which is of interest because of applications in magnetic fluid hyperthermia. The study by x-ray and neutron diffraction, Mössbauer spectroscopy and magnetization measurements is done on nanoparticles prepared by the coprecipitation method and bulk samples sintered at high temperatures. In spite of the known preference of Zn2+ for tetrahedral (A) sites and Co2+ for octahedral [B] sites, the cations are distributed nearly evenly over the two sites of spinel structure and there is also a variable number of [B] site vacancies (see text), making cobalt ions trivalent. In particular for x = 0.6, the cationic distribution is refined to [Formula: see text] and [Formula: see text] for the 13 nm particles (T(C) = 335 K) and bulk sample (T(C) = 351 K), respectively.

  5. Effects of manual threshold setting on image analysis results of a sandstone sample structural characterization by X-ray microtomography

    International Nuclear Information System (INIS)

    Moreira, Anderson C.; Fernandes, Celso P.; Fernandes, Jaquiel S.; Marques, Leonardo C.; Appoloni, Carlos R.; Nagata, Rodrigo

    2009-01-01

    X-ray microtomography is a nondestructive nuclear technique widely applied for samples structural characterization. This methodology permits the investigation of materials porous phase, without special sample preparation, generating bidimensional images of the irradiated sample. The images are generated by the linear attenuation coefficient mapping of the sample. In order to do a quantitative characterization, the images have to be binarized, separating porous phase from the material matrix. The choice of the correct threshold in the grey level histogram is an important and discerning procedure for the binary images creation. Slight variations of the threshold level led to substantial variations in physical parameters determination, like porosity and pore size distribution values. The aim of this work is to evaluate these variations based on some manual threshold setting. Employing Imago image analysis software, four operators determined the porosity and pore size distribution of a sandstone sample by image analysis. The microtomography measurements were accomplished with the following scan conditions: 60 kV, 165 μA, 1 mm Al filter, 0.45 deg step size and 180.0 deg total rotation angle with and 3.8 μm and 11 μm spatial resolution. The global average porosity values, determined by the operators, range from 27.8 to 32.4 % for 3.8 μm spatial resolution and 12.3 to 28.3 % for 11 μm spatial resolution. Percentage differences among the pore size distributions were also found. For the same pore size range, 5.5 % and 17.1 %, for 3.8 μm and 11 μm spatial resolutions respectively, were noted. (author)

  6. Properties of Bulk Sintered Silver As a Function of Porosity

    Energy Technology Data Exchange (ETDEWEB)

    Wereszczak, Andrew A [ORNL; Vuono, Daniel J [ORNL; Wang, Hsin [ORNL; Ferber, Mattison K [ORNL; Liang, Zhenxian [ORNL

    2012-06-01

    This report summarizes a study where various properties of bulk-sintered silver were investigated over a range of porosity. This work was conducted within the National Transportation Research Center's Power Device Packaging project that is part of the DOE Vehicle Technologies Advanced Power Electronics and Electric Motors Program. Sintered silver, as an interconnect material in power electronics, inherently has porosity in its produced structure because of the way it is made. Therefore, interest existed in this study to examine if that porosity affected electrical properties, thermal properties, and mechanical properties because any dependencies could affect the intended function (e.g., thermal transfer, mechanical stress relief, etc.) or reliability of that interconnect layer and alter how its performance is modeled. Disks of bulk-sintered silver were fabricated using different starting silver pastes and different sintering conditions to promote different amounts of porosity. Test coupons were harvested out of the disks to measure electrical resistivity and electrical conductivity, thermal conductivity, coefficient of thermal expansion, elastic modulus, Poisson's ratio, and yield stress. The authors fully recognize that the microstructure of processed bulk silver coupons may indeed not be identical to the microstructure produced in thin (20-50 microns) layers of sintered silver. However, measuring these same properties with such a thin actual structure is very difficult, requires very specialized specimen preparation and unique testing instrumentation, is expensive, and has experimental shortfalls of its own, so the authors concluded that the herein measured responses using processed bulk sintered silver coupons would be sufficient to determine acceptable values of those properties. Almost all the investigated properties of bulk sintered silver changed with porosity content within a range of 3-38% porosity. Electrical resistivity, electrical conductivity

  7. Gene structure and expression of serotonin receptor HTR2C in hypothalamic samples from infanticidal and control sows

    Directory of Open Access Journals (Sweden)

    Quilter Claire R

    2012-04-01

    Full Text Available Abstract Background The serotonin pathways have been implicated in behavioural phenotypes in a number of species, including human, rat, mouse, dog and chicken. Components of the pathways, including the receptors, are major targets for drugs used to treat a variety of physiological and psychiatric conditions in humans. In our previous studies we have identified genetic loci potentially contributing to maternal infanticide in pigs, which includes a locus on the porcine X chromosome long arm. The serotonin receptor HTR2C maps to this region, and is therefore an attractive candidate for further study based on its function and its position in the genome. Results In this paper we describe the structure of the major transcripts produced from the porcine HTR2C locus using cDNA prepared from porcine hypothalamic and pooled total brain samples. We have confirmed conservation of sites altered by RNA editing in other mammalian species, and identified polymorphisms in the gene sequence. Finally, we have analysed expression and editing of HTR2C in hypothalamus samples from infanticidal and control animals. Conclusions The results confirm that although the expression of the long transcriptional variant of HTR2C is raised in infanticidal animals, the overall patterns of editing in the hypothalamus are similar between the two states. Sequences associated with the cDNA and genomic structures of HTR2C reported in this paper are deposited in GenBank under accession numbers FR720593, FR720594 and FR744452.

  8. The structure of PTSD symptoms according to DSM-5 and IDC-11 proposal: A multi-sample analysis.

    Science.gov (United States)

    Cyniak-Cieciura, M; Staniaszek, K; Popiel, A; Pragłowska, E; Zawadzki, B

    2017-07-01

    Posttraumatic stress disorder (PTSD) symptoms structure is a subject of ongoing debate since its inclusion in DSM-III classification in 1980. Different research on PTSD symptoms structure proved the better fit of four-factor and five-factor models comparing to the one proposed by DSM-IV. With the publication of DSM-5 classification, which introduced significant changes to PTSD diagnosis, the question arises about the adequacy of the proposed criteria to the real structure of disorder symptoms. Recent analyses suggest that seven-factor hybrid model is the best reflection of symptoms structure proposed to date. At the same time, some researchers and ICD-11 classification postulate a simplification of PTSD diagnosis restricting it to only three core criteria and adding additional diagnostic unit of complex-PTSD. This research aimed at checking symptoms' structure according to well-known and supported four-, five-, six- and seven-factor models based on DSM-5 symptoms and the conceptualization proposed by the ICD-11 as well as examining the relation between PTSD symptoms categories with borderline personality disorder. Four different trauma populations were examined with self-reported Posttraumatic Diagnostic Scale for DSM-5 (PDS-5) measure. The results suggest that six- and seven-factor hybrid model as well as three-factor ICD-11 concept fits the data better than other models. The core PTSD symptoms were less related to borderline personality disorder than other, broader, symptoms categories only in one sample. Combination of ICD-11 simplified PTSD diagnosis with the more complex approach (e.g. basing on a seven-factor model) may be an attractive proposal for both scientists and practitioners, however does not necessarily lower its comorbidity with borderline personality disorder. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  9. Optimizing the data acquisition rate for a remotely controllable structural monitoring system with parallel operation and self-adaptive sampling

    International Nuclear Information System (INIS)

    Sheng, Wenjuan; Guo, Aihuang; Liu, Yang; Azmi, Asrul Izam; Peng, Gang-Ding

    2011-01-01

    We present a novel technique that optimizes the real-time remote monitoring and control of dispersed civil infrastructures. The monitoring system is based on fiber Bragg gating (FBG) sensors, and transfers data via Ethernet. This technique combines parallel operation and self-adaptive sampling to increase the data acquisition rate in remote controllable structural monitoring systems. The compact parallel operation mode is highly efficient at achieving the highest possible data acquisition rate for the FBG sensor based local data acquisition system. Self-adaptive sampling is introduced to continuously coordinate local acquisition and remote control for data acquisition rate optimization. Key issues which impact the operation of the whole system, such as the real-time data acquisition rate, data processing capability, and buffer usage, are investigated. The results show that, by introducing parallel operation and self-adaptive sampling, the data acquisition rate can be increased by several times without affecting the system operating performance on both local data acquisition and remote process control

  10. Investigating the factorial structure and availability of work time control in a representative sample of the Swedish working population.

    Science.gov (United States)

    Albrecht, Sophie C; Kecklund, Göran; Tucker, Philip; Leineweber, Constanze

    2016-05-01

    Past research has often neglected the sub-dimensions of work time control (WTC). Moreover, differences in levels of WTC with respect to work and demographic characteristics have not yet been examined in a representative sample. We investigated these matters in a recent sample of the Swedish working population. The study was based on the 2014 data collection of the Swedish Longitudinal Occupational Survey of Health. We assessed the structure of the WTC measure using exploratory and confirmatory factor analysis. Differences in WTC by work and demographic characteristics were examined with independent samplet-tests, one-way ANOVAs and gender-stratified logistic regressions. Best model fit was found for a two-factor structure that distinguished between control over daily hours and control over time off (root mean square error of approximation = 0.06; 95% CI 0.04 to 0.09; Comparative Fit Index (CFI) = 0.99). Women, shift and public-sector workers reported lower control in relation to both factors. Age showed small associations with WTC, while a stronger link was suggested for civil status and family situation. Night, roster and rotating shift work seemed to be the most influential factors on reporting low control over daily hours and time off. Our data confirm the two-dimensional structure underlying WTC, namely the components 'control over daily hours' and 'control over time off'. Women, public-sector and shift workers reported lower levels of control. Future research should examine the public health implications of WTC, in particular whether increased control over daily hours and time off can reduce health problems associated with difficult working-time arrangements. © 2015 the Nordic Societies of Public Health.

  11. A confirmatory test of the underlying factor structure of scores on the collective self-esteem scale in two independent samples of Black Americans.

    Science.gov (United States)

    Utsey, Shawn O; Constantine, Madonna G

    2006-04-01

    In this study, we examined the factor structure of the Collective Self-Esteem Scale (CSES; Luhtanen & Crocker, 1992) across 2 separate samples of Black Americans. The CSES was administered to a sample of Black American adolescents (n = 538) and a community sample of Black American adults (n = 313). Results of confirmatory factor analyses (CFAs), however, did not support the original 4-factor model identified by Luhtanen and Crocker (1992) as providing an adequate fit to the data for these samples. Furthermore, an exploratory CFA procedure failed to find a CSES factor structure that could be replicated across the 2 samples of Black Americans. We present and discuss implications of the findings.

  12. Evaluation of fatigue properties of bulk ring superconductors for synchrotron radiation sources

    Science.gov (United States)

    Tsuru, R.; Tanaka, T.; Nakajima, T.; Seike, T.; Hirano, H.; Morita, M.; Teshima, H.; Nariki, S.; Sakai, N.; Hirbayashi, I.; Kitamura, H.

    2007-10-01

    A new concept of synchrotron radiation (SR) sources with ring-shaped high-Tc superconducting bulk (bulk ring) magnets have been proposed at the SPring-8, a SR facility in Japan. During the proof-of-principle experiments, it was found that the magnetic field generated by the bulk ring gradually decreased, due to mechanical damages in the bulk ring. In order to improve the mechanical property of the bulk ring toward realization of this concept, two methods of reinforcement, i.e., resin impregnation and iron ribbing, were proposed. The effects of these methods were investigated with four bulk ring samples and it was found that combination of the two methods significantly improved the mechanical property.

  13. Low field magnetocaloric effect in bulk and ribbon alloy La(Fe0.88Si0.12)13

    Science.gov (United States)

    Vuong, Van-Hiep; Do-Thi, Kim-Anh; Nguyen, Duy-Thien; Nguyen, Quang-Hoa; Hoang, Nam-Nhat

    2018-03-01

    Low-field magnetocaloric effect occurred in itinerant metamagnetic materials is at core for magnetic cooling application. This works reports the magnetocaloric responses obtained at 1.35 T for the silicon-doped iron-based binary alloy La(Fe0.88Si0.12)13 in the bulk and ribbon form. Both samples possess a same symmetry but with different crystallite sizes and lattice parameters. The ribbon sample shows a larger maximum entropy change (nearly 8.5 times larger) and a higher Curie temperature (5 K higher) in comparison with that of the bulk sample. The obtained relative cooling power for the ribbon is also larger and very promising for application (RCP = 153 J/kg versus 25.2 J/kg for the bulk). The origin of the effect observed is assigned to the occurrence of negative magnetovolume effect in the ribbon structure with limit crystallization, caused by rapid cooling process at the preparation, which induced smaller crystallite size and large lattice constant at the overall weaker local crystal field.

  14. Coupling brane fields to bulk supergravity

    Energy Technology Data Exchange (ETDEWEB)

    Parameswaran, Susha L. [Uppsala Univ. (Sweden). Theoretical Physics; Schmidt, Jonas [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

    2010-12-15

    In this note we present a simple, general prescription for coupling brane localized fields to bulk supergravity. We illustrate the procedure by considering 6D N=2 bulk supergravity on a 2D orbifold, with brane fields localized at the fixed points. The resulting action enjoys the full 6D N=2 symmetries in the bulk, and those of 4D N=1 supergravity at the brane positions. (orig.)

  15. Coupling brane fields to bulk supergravity

    International Nuclear Information System (INIS)

    Parameswaran, Susha L.

    2010-12-01

    In this note we present a simple, general prescription for coupling brane localized fields to bulk supergravity. We illustrate the procedure by considering 6D N=2 bulk supergravity on a 2D orbifold, with brane fields localized at the fixed points. The resulting action enjoys the full 6D N=2 symmetries in the bulk, and those of 4D N=1 supergravity at the brane positions. (orig.)

  16. The factor analytic structure of the Roberts Apperception Test for Children: a comparison of the standardization sample with a sample of chronically ill children.

    Science.gov (United States)

    Palomares, R S; Crowley, S L; Worchel, F F; Olson, T K; Rae, W A

    1991-06-01

    A confirmatory principal component factor analysis of the Roberts Apperception Test for Children was conducted using the standardization sample and a sample of chronically ill children. An interpretation of three- and four-factor solutions identified the three-factor solution as superior to the four-factor solution as measured by chi-square goodness of fit and coefficients of convergence. A cluster analysis using Ward's minimum variance method was calculated to determine the typical profiles that best describe the chronically ill sample. Results of this analysis reveal two distinct profiles that differ primarily on the level of adaptive psychological functioning.

  17. Examining gray matter structures associated with individual differences in global life satisfaction in a large sample of young adults

    Science.gov (United States)

    Kong, Feng; Ding, Ke; Yang, Zetian; Dang, Xiaobin; Hu, Siyuan; Song, Yiying

    2015-01-01

    Although much attention has been directed towards life satisfaction that refers to an individual’s general cognitive evaluations of his or her life as a whole, little is known about the neural basis underlying global life satisfaction. In this study, we used voxel-based morphometry to investigate the structural neural correlates of life satisfaction in a large sample of young healthy adults (n = 299). We showed that individuals’ life satisfaction was positively correlated with the regional gray matter volume (rGMV) in the right parahippocampal gyrus (PHG), and negatively correlated with the rGMV in the left precuneus and left ventromedial prefrontal cortex. This pattern of results remained significant even after controlling for the effect of general positive and negative affect, suggesting a unique structural correlates of life satisfaction. Furthermore, we found that self-esteem partially mediated the association between the PHG volume and life satisfaction as well as that between the precuneus volume and global life satisfaction. Taken together, we provide the first evidence for the structural neural basis of life satisfaction, and highlight that self-esteem might play a crucial role in cultivating an individual’s life satisfaction. PMID:25406366

  18. Examining gray matter structure associated with academic performance in a large sample of Chinese high school students.

    Science.gov (United States)

    Wang, Song; Zhou, Ming; Chen, Taolin; Yang, Xun; Chen, Guangxiang; Wang, Meiyun; Gong, Qiyong

    2017-04-18

    Achievement in school is crucial for students to be able to pursue successful careers and lead happy lives in the future. Although many psychological attributes have been found to be associated with academic performance, the neural substrates of academic performance remain largely unknown. Here, we investigated the relationship between brain structure and academic performance in a large sample of high school students via structural magnetic resonance imaging (S-MRI) using voxel-based morphometry (VBM) approach. The whole-brain regression analyses showed that higher academic performance was related to greater regional gray matter density (rGMD) of the left dorsolateral prefrontal cortex (DLPFC), which is considered a neural center at the intersection of cognitive and non-cognitive functions. Furthermore, mediation analyses suggested that general intelligence partially mediated the impact of the left DLPFC density on academic performance. These results persisted even after adjusting for the effect of family socioeconomic status (SES). In short, our findings reveal a potential neuroanatomical marker for academic performance and highlight the role of general intelligence in explaining the relationship between brain structure and academic performance.

  19. Examining gray matter structures associated with individual differences in global life satisfaction in a large sample of young adults.

    Science.gov (United States)

    Kong, Feng; Ding, Ke; Yang, Zetian; Dang, Xiaobin; Hu, Siyuan; Song, Yiying; Liu, Jia

    2015-07-01

    Although much attention has been directed towards life satisfaction that refers to an individual's general cognitive evaluations of his or her life as a whole, little is known about the neural basis underlying global life satisfaction. In this study, we used voxel-based morphometry to investigate the structural neural correlates of life satisfaction in a large sample of young healthy adults (n = 299). We showed that individuals' life satisfaction was positively correlated with the regional gray matter volume (rGMV) in the right parahippocampal gyrus (PHG), and negatively correlated with the rGMV in the left precuneus and left ventromedial prefrontal cortex. This pattern of results remained significant even after controlling for the effect of general positive and negative affect, suggesting a unique structural correlates of life satisfaction. Furthermore, we found that self-esteem partially mediated the association between the PHG volume and life satisfaction as well as that between the precuneus volume and global life satisfaction. Taken together, we provide the first evidence for the structural neural basis of life satisfaction, and highlight that self-esteem might play a crucial role in cultivating an individual's life satisfaction. © The Author (2014). Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

  20. High-pressure X-ray diffraction study of bulk- and nanocrystalline GaN

    DEFF Research Database (Denmark)

    Jorgensen, J.E.; Jakobsen, J.M.; Jiang, Jianzhong

    2003-01-01

    Bulk- and nanocrystalline GaN have been studied by high-pressure energy-dispersive X-ray diffraction. Pressure-induced structural phase transitions from the wurtzite to the NaCl phase were observed in both materials. The transition pressure was found to be 40 GPa for the bulk-crystalline GaN, whi...

  1. Factor structure of the primary scales of the Inventory of Personality Organization in a nonclinical sample using exploratory structural equation modeling.

    Science.gov (United States)

    Ellison, William D; Levy, Kenneth N

    2012-06-01

    Using exploratory structural equation modeling and multiple regression, we examined the factor structure and criterion relations of the primary scales of the Inventory of Personality Organization (IPO; Kernberg & Clarkin, 1995) in a nonclinical sample. Participants (N = 1,260) completed the IPO and measures of self-concept clarity, defenses, affect and emotion regulation, and risky and self-injurious behavior. In contrast to that of Lenzenweger, Clarkin, Kernberg, and Foelsch (2001), a 4-factor measurement model was derived with factors representing instability of sense of self and other, instability of goals, instability of behaviors, and psychosis. The 1st of these factors related most strongly to external measures of self-concept clarity, defenses, and affect, whereas the 3rd factor related most strongly to measures of risky behavior and self-injury. These results suggest that the IPO's factor structure does not conform to the hypothesized 3-factor model, although it does capture important elements of Kernberg's (1996) theory of personality organization, especially the central construct of representations of self and others. The results point to several areas in which the IPO might be refined to provide a more comprehensive and theoretically appropriate measure of the borderline personality organization construct. (c) 2012 APA, all rights reserved

  2. Composites of amorphous and nanocrystalline Zr–Cu–Al–Nb bulk materials synthesized by spark plasma sintering

    Energy Technology Data Exchange (ETDEWEB)

    Drescher, P., E-mail: philipp.drescher@uni-rostock.de [Fluidic Technology and Microfluidics, Faculty of Mechanical Engineering and Marine Technology, University of Rostock, 18059 Rostock (Germany); Witte, K. [Physics of New Materials, Institute of Physics, University of Rostock, 18051 Rostock (Germany); Yang, B. [Polymer Physics, Institute of Physics, University of Rostock, 18051 Rostock (Germany); Steuer, R.; Kessler, O. [Chair of Materials Science, Faculty of Mechanical Engineering and Marine Technology, University of Rostock, 18059 Rostock (Germany); Burkel, E. [Physics of New Materials, Institute of Physics, University of Rostock, 18051 Rostock (Germany); Schick, C. [Polymer Physics, Institute of Physics, University of Rostock, 18051 Rostock (Germany); Seitz, H. [Fluidic Technology and Microfluidics, Faculty of Mechanical Engineering and Marine Technology, University of Rostock, 18059 Rostock (Germany)

    2016-05-15

    The fabrication of Zr{sub 70}Cu{sub 24}Al{sub 4}Nb{sub 2} bulk metallic glass composite samples by spark plasma sintering (SPS) process has been successfully realized. The unique characteristics of bulk metallic glasses could lead to the possibility of future applications as new structural and functional materials. The densification of an amorphous Zr{sub 70}Cu{sub 24}Al{sub 4}Nb{sub 2} powder was realized in a systematic study changing the sintering temperature in the SPS process leading to stable composites characteristic of amorphous and nanocrystalline structures. X-ray diffractometry (XRD) and differential scanning calorimetry (DSC) analysis, transmission electron microscopy (TEM) as well as hardness tests were applied to determine the structural and mechanical properties of the sintered materials. A stable amorphous bulk metallic glass based on Zr{sub 70}Cu{sub 24}Al{sub 4}Nb{sub 2} with a low fraction of crystallites could be fabricated applying a nominal sintering temperature of 400 °C. Higher sintering temperatures lead to composites with high fractions of nanocrystalline material with porosities below 0.5%.

  3. The Effect of Bulk Depth and Irradiation Time on the Surface Hardness and Degree of Cure of Bulk-Fill Composites

    Directory of Open Access Journals (Sweden)

    Farahat F

    2016-09-01

    Full Text Available Statement of Problem: For many years, application of the composite restoration with a thickness less than 2 mm for achieving the minimum polymerization contraction and stress has been accepted as a principle. But through the recent development in dental material a group of resin based composites (RBCs called Bulk Fill is introduced whose producers claim the possibility of achieving a good restoration in bulks with depths of 4 or even 5 mm. Objectives: To evaluate the effect of irradiation times and bulk depths on the degree of cure (DC of a bulk fill composite and compare it with the universal type. Materials and Methods: This study was conducted on two groups of dental RBCs including Tetric N Ceram Bulk Fill and Tetric N Ceram Universal. The composite samples were prepared in Teflon moulds with a diameter of 5 mm and height of 2, 4 and 6 mm. Then, half of the samples in each depth were cured from the upper side of the mould for 20s by LED light curing unit. The irradiation time for other specimens was 40s. After 24 hours of storage in distilled water, the microhardness of the top and bottom of the samples was measured using a Future Tech (Japan- Model FM 700 Vickers hardness testing machine. Data were analyzed statistically using the one and multi way ANOVAand Tukey’s test (p = 0.050. Results: The DC of Tetric N Ceram Bulk Fill in defined irradiation time and bulk depth was significantly more than the universal type (p < 0.001. Also, the DC of both composites studied was significantly (p < 0.001 reduced by increasing the bulk depths. Increasing the curing time from 20 to 40 seconds had a marginally significant effect (p ≤ 0.040 on the DC of both bulk fill and universal studied RBC samples. Conclusions: The DC of the investigated bulk fill composite was better than the universal type in all the irradiation times and bulk depths. The studied universal and bulk fill RBCs had an appropriate DC at the 2 and 4 mm bulk depths respectively and

  4. Absence of Structural Impact of Noble Nanoparticles on P3HT:PCBM Blends for Plasmon-Enhanced Bulk-Heterojunction Organic Solar Cells Probed by Synchrotron GI-XRD.

    Science.gov (United States)

    Lilliu, Samuele; Alsari, Mejd; Bikondoa, Oier; Emyr Macdonald, J; Dahlem, Marcus S

    2015-06-01

    The incorporation of noble metal nanoparticles, displaying localized surface plasmon resonance, in the active area of donor-acceptor bulk-heterojunction organic photovoltaic devices is an industrially compatible light trapping strategy, able to guarantee better absorption of the incident photons and give an efficiency improvement between 12% and 38%. In the present work, we investigate the effect of Au and Ag nanoparticles blended with P3HT: PCBM on the P3HT crystallization dynamics by synchrotron grazing incidence X-ray diffraction. We conclude that the presence of (1) 80 nm Au, (2) mix of 5 nm, 50 nm, 80 nm Au, (3) 40 nm Ag, and (4) 10 nm, 40 nm, 60 nm Ag colloidal nanoparticles, at different concentrations below 0.3 wt% for Au and below 0.1% for Ag in P3HT: PCBM blends, does not affect the behaviour of the blends themselves.

  5. Nanopatterned Bulk Metallic Glass Biosensors.

    Science.gov (United States)

    Kinser, Emily R; Padmanabhan, Jagannath; Yu, Roy; Corona, Sydney L; Li, Jinyang; Vaddiraju, Sagar; Legassey, Allen; Loye, Ayomiposi; Balestrini, Jenna; Solly, Dawson A; Schroers, Jan; Taylor, André D; Papadimitrakopoulos, Fotios; Herzog, Raimund I; Kyriakides, Themis R

    2017-12-22

    Nanopatterning as a surface area enhancement method has the potential to increase signal and sensitivity of biosensors. Platinum-based bulk metallic glass (Pt-BMG) is a biocompatible material with electrical properties conducive for biosensor electrode applications, which can be processed in air at comparably low temperatures to produce nonrandom topography at the nanoscale. Work presented here employs nanopatterned Pt-BMG electrodes functionalized with glucose oxidase enzyme to explore the impact of nonrandom and highly reproducible nanoscale surface area enhancement on glucose biosensor performance. Electrochemical measurements including cyclic voltammetry (CV) and amperometric voltammetry (AV) were completed to compare the performance of 200 nm Pt-BMG electrodes vs Flat Pt-BMG control electrodes. Glucose dosing response was studied in a range of 2 mM to 10 mM. Effective current density dynamic range for the 200 nm Pt-BMG was 10-12 times greater than that of the Flat BMG control. Nanopatterned electrode sensitivity was measured to be 3.28 μA/cm 2 /mM, which was also an order of magnitude greater than the flat electrode. These results suggest that nonrandom nanotopography is a scalable and customizable engineering tool which can be integrated with Pt-BMGs to produce biocompatible biosensors with enhanced signal and sensitivity.

  6. Noise contamination from PET blood sampling pump: Effects on structural MRI image quality in simultaneous PET/MR studies.

    Science.gov (United States)

    Bartlett, Elizabeth; DeLorenzo, Christine; Parsey, Ramin; Huang, Chuan

    2018-02-01

    To fully quantify PET imaging outcome measures, a blood sampling pump is often used during the PET acquisition. With simultaneous PET/MR studies, a structural magnetization-prepared rapid gradient-echo (MP-RAGE) may also be acquired while the pump is generating electromagnetic noise. This study investigated whether this noise contamination would be detrimental to the quantification of volume and cortical thickness measures obtained from automated segmentation of the MP-RAGE image. MP-RAGE T1w structural images were acquired for a phantom and 10 healthy volunteers (five female, 27.2 ± 5.1 y old) with the blood sampling pump and without. The white matter signal-to-noise ratio (SNR) was computed for all images. Region-wise cortical thickness and volume were extracted with Freesurfer 5.3.0. The phantom SNR and the white matter human subject SNR was degraded in the MP-RAGE images acquired with the pump (P = 0.005; white matter SNR: 43.9 and 50.8 with the pump and without). Intrasession, region-wise volume and cortical thickness estimates were significantly overestimated with the pump (percent difference: 1.14 ± 2.67% for volume (P = 0.0003) and 0.34 ± 1.59% (P = 0.02) for cortical thickness). Regions with percent differences greater than 5% between pump conditions were those close to tissue-air interfaces: entorhinal, frontal pole, parsorbitalis, temporal pole, and medial orbitofrontal. Synthetically adding Gaussian noise to the without pump MP-RAGE images yielded similar, significant detriments to cortical morphometry compared to without the pump. This study provides evidence that the use of PET blood sampling pumps may generate unstructured, Gaussian-distributed noise in MP-RAGE images that significantly alters the accuracy of Freesurfer-derived volume and cortical thickness estimates. While many cortical regions showed a percent difference of less than 1% with the pump, regions close to tissue-air interfaces, subject to larger susceptibility artifacts

  7. Simulating storm electrification with bin and bulk microphysics

    Science.gov (United States)

    Mansell, E. R.

    2013-12-01

    Simulated storm electrification can be highly dependent on the parameterizations of microphysical processes, particularly those involving ice particles. Commonly-used bulk microphysics assume a functional form of the particle size distribution and predict one or more moments of the distribution, such as total mass, number concentration, and reflectivity. Bin schemes, on the other hand, allow the particle spectrum to evolve by predicting the number of particles in discrete size ranges (bins). Bin schemes are often promoted as benchmark solutions, but have much greater computational expense and can have other disadvantages. Only a few studies have compared results for bin and bulk schemes within the same model framework, which controls for differences in model numerics and other physics. Here, the bin microphysics scheme of Takahashi has been incorporated into the COMMAS model for comparison with the 2-3-moment bulk scheme. The resulting electrification, charge structure and lightning are compared, as well. Charge separation and transfer have been newly added to the bin scheme, along with some updates to the physics, such as improved ice melting. Thus the same laboratory-based charging schemes from previous work can be used with both microphysics packages. The bulk and bin schemes generally have similar microphysical features in the simulations. Differences can result in part from differences the parameterizations of partical interactions (and particle types) as much as from the simple difference in size distributions. For example both the bin and bulk schemes are sensitive to the concentration of cloud condensation nuclei, as shown in recent work from the bulk scheme. Results will be presented for idealized 2-dimensional cases and for fully 3D simulations of a small multicell thunderstorms.

  8. [Transformational and transactional leadership: An analysis of the factor structure of the Multifactor Leadership Questionnaire (MLQ) in a Spanish sample].

    Science.gov (United States)

    Molero Alonso, Fernando; Recio Saboya, Patricia; Cuadrado Guirado, Isabel

    2010-08-01

    The Multifactor Leadership Questionnaire (MLQ) has been one of the most commonly used instruments to assess leadership in organizational settings for the last two decades. However, the factor structure proposed by the MLQ authors has received some criticism. The aim of this work is to examine the fit indices of several alternative factor models suggested by the literature. In order to accomplish this objective, we conducted confirmatory factor analyses in a sample of 954 participants using a Spanish version of the MLQ. Results show that the model that produces the better fit with the data consists of four factors: transformational leadership, developmental/transactional leadership, corrective leadership and avoidant/passive leadership. This model is parsimonious and consistent with the MLQ literature.

  9. Elution of monomer from different bulk fill dental composite resins.

    Science.gov (United States)

    Cebe, Mehmet Ata; Cebe, Fatma; Cengiz, Mehmet Fatih; Cetin, Ali Rıza; Arpag, Osman Fatih; Ozturk, Bora

    2015-07-01

    The purpose of this study was to evaluate the elution of Bis-GMA, TEGDMA, HEMA, and Bis-EMA monomers from six bulk fill composite resins over four different time periods, using HPLC. Six different composite resin materials were used in the present study: Tetric Evo Ceram Bulk Fill (Ivoclar Vivadent, Amherst, NY), X-tra Fill (VOCO, Cuxhaven, Germany), Sonic Fill (Kerr, Orange, CA, USA), Filtek Bulk Fill (3M ESPE Dental Product, St. Paul, MN), SDR (Dentsply, Konstanz, Germany), EQUIA (GC America INC, Alsip, IL). The samples (4mm thickness, 5mm diameter) were prepared and polymerized for 20s with a light emitted diode unit. After fabrication, each sample was immediately immersed in 75wt% ethanol/water solution used as extraction fluid and stored in the amber colored bottles at room temperature. Ethanol/water samples were taken (0.5mL) at predefined time intervals:10m (T1), 1h (T2), 24h (T3) and 30 days (T4). These samples were analyzed by HPLC. The obtained data were analyzed with one-way ANOVA and Tukey HSD at significance level of pcomposites (pcomposite resins in all time periods and the amount of eluted monomers was increased with time. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  10. Flux Trapping Properties of Bulk HIGH-TC Superconductors in Static Field-Cooling Magnetization

    Science.gov (United States)

    Deng, Z.; Tsuzuki, K.; Miki, M.; Felder, B.; Hara, S.; Izumi, M.

    2013-06-01

    The trapping process and saturation effect of trapped magnetic flux of bulk high-temperature superconductors by static field-cooling magnetization (FCM) are reported in the paper. With a cryogenic Bell Hall sensor attached on the center of the bulk surface, the synchronous magnetic signals were recorded during the whole magnetization process. It enables us to know the flux trapping behavior since the removal of the excitation field, as well as the subsequent flux relaxation phenomenon and the flux dissipation in the quench process of the bulk sample. With the help of flux mapping techniques, the relationship between the trapped flux and the applied field was further investigated; the saturation effect of trapped flux was discussed by comparing the peak trapped field and total magnetic flux of the bulk sample. These studies are useful to understand the basic flux trapping properties of bulk superconductors.

  11. Square and rectangular symmetry tiles from bulk and thin film 3-miktoarm star terpolymers.

    Science.gov (United States)

    Aissou, Karim; Nunns, Adam; Manners, Ian; Ross, Caroline A

    2013-12-09

    The directed self assembly of a 3-miktoarm star terpolymer (polyisoprene-arm-polystyrene-arm-polyferrocenylethylmethylsilane (3μ-ISF)) into a (4.8²) square symmetry Archimedean tiling pattern is described. Bulk samples of 3μ-ISF generate equilibrium columnar (4.8²) tile patterns (symmetry p 4 mm) on annealing, which is preceded by a metastable c 2 mm centered rectangular structure. In contrast, in thin films of 3μ-ISF blended with PS homopolymer, the c 2 mm phase is stable with columns oriented out of plane when the film thickness is below 50 nm. However, the 3μ-ISF/homopolymer blend rapidly forms a p 4 mm symmetry when the film thickness is ∼80 nm, with grain sizes of several μm and excellent order. Defects in the p 4 mm structure are described. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. The Structure and Properties of the Samples Produced by Selective Laser Melting of 410L Steel-based Metal Powder

    Science.gov (United States)

    Deev, Artem; Kuznetsov, Pavel; Zhukov, Anton; Bobyr, Vitaliy

    Additive technologies, which obtained the wide spreading in the last decade, allow producing items of any shape from metal materials practically without additional mechanical treatment. This approach based on the layer by layer melting of powder material accordingly to the premade 3D-CAD model, provides the geometrical accuracy which mostly depends on the size of the used material. In the present study, as material a 410 L steel powder was chosen, for which the basic dependencies between the selective laser melting (SLM) parameters and the mechanical properties were determined. Trial batches of standard samples for uniaxial tension and impact strength tests (according to the ASTM A370 and ASTM E8 M standards) were produced. It was shown that in the as build (after SLM) the fracture appeared to be brittle with the impact strength 3-5 J/cm2. The carried out heat treatment of quenching-tempering cycle and subsequent tests provide the viscous fracture and evaluation of impact strength up to 20-30 J/cm2. Presumably, this is due to a refinement of the grain structure and the inner stresses reduction of the samples, which also acknowledges the execution EBSD analysis, which points to the presence of quenched and tempered martensite. The presence of high inner stresses can be attributed to two α-γ-α transformations that were revealed by dilatometry investigation. In the range of cooling or heating rates from 1 to 500 °C/s temperatures of phase transformation are shifted.

  13. 27 CFR 20.191 - Bulk articles.

    Science.gov (United States)

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Bulk articles. 20.191... Users of Specially Denatured Spirits Operations by Users § 20.191 Bulk articles. Users who convey articles in containers exceeding one gallon may provide the recipient with a photocopy of subpart G of this...

  14. Bulk-viscosity-driven asymmetric inflationary universe

    International Nuclear Information System (INIS)

    Waga, I.; Lima, J.A.S.; Portugal, R.

    1987-01-01

    A primordial net bosinic charge is introduced in the context of the bulk-viscosity-driven inflationary models. The analysis is carried through a macroscopic point of view in the framework of the causal thermodynamic theory. The conditions for having exponetial and generalized inflation are obtained. A phenomenological expression for the bulk viscosity coefficient is also derived. (author) [pt

  15. Bulk immunoassays for analysis of extracellular vesicles

    NARCIS (Netherlands)

    Coumans, Frank A. W.; Gool, Elmar L.; Nieuwland, Rienk

    2017-01-01

    There is increasing clinical interest in extracellular vesicles (EV) for diagnostic and treatment purposes. This review provides an overview of bulk immunoassays to analyse EV. Western blot and enzyme-linked immunosorbent assay are still the two predominant bulk immunoassays. Recently, new assays

  16. The Cyberchondria Severity Scale (CSS): an examination of structure and relations with health anxiety in a community sample.

    Science.gov (United States)

    Fergus, Thomas A

    2014-08-01

    McElroy and Shevlin (2014) developed the 33-item Cyberchondria Severity Scale (CSS) to allow for a multidimensional assessment of cyberchondria (compulsion, distress, excessiveness, reassurance, and mistrust of medical professional). The present study evaluated psychometric properties of the CSS, including its factor structure, internal consistency, convergent validity, and incremental validity, using a large sample of community adults located in the United States (N=539). Results from a confirmatory factor analysis (CFA) supported the adequacy of the five-factor structure of the CSS. However, results from a higher-order CFA indicated that the mistrust of medical professional factor does not assess the same construct as the other factors of the CSS. The CSS scales evidenced adequate internal consistency and significantly correlated with health anxiety. The distress, excessiveness, and mistrust of medical professional scales correlated significantly more strongly with health anxiety than obsessive-compulsive symptoms and these three scales were the only CSS scales to share unique variance with health anxiety. Implications of these results for future research are discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. Xerophilic mycopopulations of teas in bulk

    Directory of Open Access Journals (Sweden)

    Škrinjar Marija M.

    2011-01-01

    Full Text Available d.o.o., Novi Sad AU Krunić Vesna J. AF EKOLd.o.o., Novi Sad KW teas % mould contamination % thermal treatment KR nema Other the water, tea is the most popular beverage in the world today. They are used for ages, in the beginning as refreshing drinks, and later more for their healing properties. Teas have been demonstrated to show antioxidative, anti-carcinogenic, and anti-microbial properties. Considering that the teas, during the production, are not treated with any temperature, there is high risk for contamination with different type of microorganisms, especially with moulds. Moulds are ubiquitously distributed in nature and their spores can be found in the atmosphere even at high altitudes and under favorable conditions of temperature and humidity, moulds grow on many commodities including cereals, oil seeds, nuts, herbs and spices. Most of them are potential producers of mycotoxins which present a real hazard to human health. The aim of this work was to investigate total mould count and to identify moulds isolated from teas in bulk, than from teas treated with hot, sterile, distilled water and from the tea filtrates. Tested teas were peppermint, sage, yarrow, black tea, bearberry, lemon balm, mixture of teas from Zlatibor. In teas in balk was observed high contamination with different kinds of moulds (1.84-4.55 cfu/g, such as Aspergillus awamori, A. lovaniensis, A niger, A. phoenicus, A. repens, A. restrictus, A. sydowii, A. versicolor, Eurotium amstelodami, E. chevalieri, E. herbariorum, Penicillium chrysogenum, and Scopulariopsis brevicaulis. The most frequent were species from Aspergillus and Eurotium genera. Thermal treatment with hot, sterile, distilled water reduced the number of fungal colonies. Aspergillus awamori was the most resistant and appeared in six samples of filtrates of tea, Aspergillus niger in one sample and Penicillium chrysogenum in one sample.

  18. Gender differences in the structural connectome of the teenage brain revealed by generalized q-sampling MRI

    Directory of Open Access Journals (Sweden)

    Yeu-Sheng Tyan

    2017-01-01

    Full Text Available The question of whether there are biological differences between male and female brains is a fraught one, and political positions and prior expectations seem to have a strong influence on the interpretation of scientific data in this field. This question is relevant to issues of gender differences in the prevalence of psychiatric conditions, including autism, attention deficit hyperactivity disorder (ADHD, Tourette's syndrome, schizophrenia, dyslexia, depression, and eating disorders. Understanding how gender influences vulnerability to these conditions is significant. Diffusion magnetic resonance imaging (dMRI provides a non-invasive method to investigate brain microstructure and the integrity of anatomical connectivity. Generalized q-sampling imaging (GQI has been proposed to characterize complicated fiber patterns and distinguish fiber orientations, providing an opportunity for more accurate, higher-order descriptions through the water diffusion process. Therefore, we aimed to investigate differences in the brain's structural network between teenage males and females using GQI. This study included 59 (i.e., 33 males and 26 females age- and education-matched subjects (age range: 13 to 14 years. The structural connectome was obtained by graph theoretical and network-based statistical (NBS analyses. Our findings show that teenage male brains exhibit better intrahemispheric communication, and teenage female brains exhibit better interhemispheric communication. Our results also suggest that the network organization of teenage male brains is more local, more segregated, and more similar to small-world networks than teenage female brains. We conclude that the use of an MRI study with a GQI-based structural connectomic approach like ours presents novel insights into network-based systems of the brain and provides a new piece of the puzzle regarding gender differences.

  19. Estructura latente del KIDDO-KINDL en una muestra peruana / Latent structure of KIDDO-KINDL in a peruvian sample

    Directory of Open Access Journals (Sweden)

    Jhonatan S. Navarro Loli

    2016-06-01

    Full Text Available RESUMEN: El presente estudio evaluó las propiedades psicométricas del instrumento KIDDO-KINDL (Ravens-Sieberer y Bullinger, 1998, que cuantifica la calidad de vida relacionada a la salud en niños y adolescentes. En una muestra de 377 alumnos del primer al quinto grado de secundaria, el análisis factorial confirmatorio demostró que la estructura interna original de seis factores no es satisfactoria para representar los constructos cuantificados debido a que presenta inestabilidad dimensional a nivel de los ítems en los factores Familia, Emocional, Amigos y Escuela. Al aplicar el análisis factorial exploratorio se encontró una estructura de cuatro factores. Esta solución factorial obtuvo mejores indicadores de consistencia interna (valores entre 0.59 y 0.81 en comparación con la estructura original (valores entre 0.24 y 0.80, y cargas factoriales más elevadas. Se discuten los posibles cambios en la interpretación de KIDDO-KINDL ABSTRACT: The present study evaluated the psychometric properties of the KIDDO-KINDL instrument (Ravens-Sieberer & Bullinger, 1998, which quantifies the quality of life related to health in children and adolescents. In a sample of 377 secondary school students from first to fifth grade, the confirmatory factorial analysis showed that the original internal structure of six factors was not satisfactory in representing the quantified constructs, because it presents dimensional instability concerning the items in the Family, Emotional, Friends and School factors. When applying the factorial analysis we found a structure of four factors. This factorial solution obtained better internal consistency indicators (values between 0.59 and 0.81 in comparison with the original structure (values between 0.24 and 0.80, and higher factorial loads. We discuss the possible changes in the interpretation of KIDDO-KINDL.

  20. Gender differences in the structural connectome of the teenage brain revealed by generalized q-sampling MRI.

    Science.gov (United States)

    Tyan, Yeu-Sheng; Liao, Jan-Ray; Shen, Chao-Yu; Lin, Yu-Chieh; Weng, Jun-Cheng

    2017-01-01

    The question of whether there are biological differences between male and female brains is a fraught one, and political positions and prior expectations seem to have a strong influence on the interpretation of scientific data in this field. This question is relevant to issues of gender differences in the prevalence of psychiatric conditions, including autism, attention deficit hyperactivity disorder (ADHD), Tourette's syndrome, schizophrenia, dyslexia, depression, and eating disorders. Understanding how gender influences vulnerability to these conditions is significant. Diffusion magnetic resonance imaging (dMRI) provides a non-invasive method to investigate brain microstructure and the integrity of anatomical connectivity. Generalized q-sampling imaging (GQI) has been proposed to characterize complicated fiber patterns and distinguish fiber orientations, providing an opportunity for more accurate, higher-order descriptions through the water diffusion process. Therefore, we aimed to investigate differences in the brain's structural network between teenage males and females using GQI. This study included 59 (i.e., 33 males and 26 females) age- and education-matched subjects (age range: 13 to 14 years). The structural connectome was obtained by graph theoretical and network-based statistical (NBS) analyses. Our findings show that teenage male brains exhibit better intrahemispheric communication, and teenage female brains exhibit better interhemispheric communication. Our results also suggest that the network organization of teenage male brains is more local, more segregated, and more similar to small-world networks than teenage female brains. We conclude that the use of an MRI study with a GQI-based structural connectomic approach like ours presents novel insights into network-based systems of the brain and provides a new piece of the puzzle regarding gender differences.