WorldWideScience

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. Effect of sintering pressure on structure and magnetic properties of Zn0.99Ni0.01O bulk samples synthesized under different pressures

    International Nuclear Information System (INIS)

    Wang, Yongqiang; Yuan, Chaosheng; Su, Lei; Wang, Zheng; Hao, Junhong; Ren, Yufen

    2015-01-01

    A series of Zn 0.99 Ni 0.01 O bulk samples were prepared by a coprecipitation method, and then sintered at 600 °C under various pressures from normal pressure(NP) to 3 GPa. The effects of sintering pressure (P S ) on the structure, morphology and magnetic properties of the doping samples were investigated in detail. The XRD and HRTEM results reveal that all samples are of single-phase hexagonal structure. Compared with the sample sintered at normal pressure, the lattice parameters a and c of the samples sintered at high pressures (HP) show a sharply decrease. With the increase of sintering pressure, the particle size gradually increases as well as the particles get closer to each other. At 300 K, the sample sintered at normal pressure shows a superparamagnetic-like behavior, while the samples sintered at high pressures display typical ferromagnetic behaviors. The saturation magnetization of the samples sintered at high pressures is three orders of magnitude larger than that of the one sintered at normal pressure. Our results reveal that an appropriate sintering pressure can tune the magnetic properties of Ni-doped ZnO system by changing the lattice parameters, particle size and inter-particle spacing, which may be helpful to the practical applications. - Highlights: • A series of Zn 0.99 Ni 0.01 O bulk samples were sintered in different pressures. • The lattice constants of the samples sintered at high pressure clearly decrease. • The particle size increases gradually with the increase of sintering pressure. • The samples sintered at different pressures show different magnetic behaviors. • Appropriate sintering pressure can tune the magnetic properties of Zn–Ni–O system

  3. Structure and soft magnetic properties of the bulk samples prepared by compaction of the mixtures of Co-based and Fe-based powders

    International Nuclear Information System (INIS)

    Fuezer, J.; Bednarcik, J.; Kollar, P.; Roth, S.

    2007-01-01

    Ball milling of CoFeZrB ribbons and subsequent compaction of the resulting powders were used to prepare bulk amorphous samples. Further, two sets of powder samples were prepared by cryomilling of FeCuNbMoSiB alloy in amorphous and nanocrystalline state. Amorphous and nanocrystalline FeCuNbMoSiB powders were blended with CoFeZrB powder at different concentrations. Such powder mixtures were consolidated and several bulk nanocomposites have been synthesized. An addition of nanocrystalline or amorphous FeCuNbMoSiB powder to amorphous CoFeZrB powder caused a decrease of the magnetostriction of the resultant bulk samples, while the coercivity shows an opposite behavior. Our results show that the powder consolidation by hot pressing is an alternative method for the preparation of bulk metallic glasses, which are difficult to prepare by casting methods

  4. Soft magnetic properties of bulk amorphous Co-based samples

    International Nuclear Information System (INIS)

    Fuezer, J.; Bednarcik, J.; Kollar, P.

    2006-01-01

    Ball milling of melt-spun ribbons and subsequent compaction of the resulting powders in the supercooled liquid region were used to prepare disc shaped bulk amorphous Co-based samples. The several bulk samples have been prepared by hot compaction with subsequent heat treatment (500 deg C - 575 deg C). The influence of the consolidation temperature and follow-up heat treatment on the magnetic properties of bulk samples was investigated. The final heat treatment leads to decrease of the coercivity to the value between the 7.5 to 9 A/m (Authors)

  5. 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.

  6. 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

  7. Standard practice for bulk sampling of liquid uranium hexafluoride

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2001-01-01

    1.1 This practice covers methods for withdrawing representative samples of liquid uranium hexafluoride (UF6) from bulk quantities of the material. Such samples are used for determining compliance with the applicable commercial specification, for example Specification C787 and Specification C996. 1.2 It is assumed that the bulk liquid UF6 being sampled comprises a single quality and quantity of material. This practice does not address any special additional arrangements that might be required for taking proportional or composite samples, or when the sampled bulk material is being added to UF6 residues already in a container (“heels recycle”). 1.3 The number of samples to be taken, their nominal sample weight, and their disposition shall be agreed upon between the parties. 1.4 The scope of this practice does not include provisions for preventing criticality incidents. 1.5 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of th...

  8. 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.

  9. 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.

  10. 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

  11. 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...

  12. 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

  13. 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.

  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. Bulk magnetic domain structures visualized by neutron dark-field imaging

    International Nuclear Information System (INIS)

    Gruenzweig, C.; David, C.; Bunk, O.; Dierolf, M.; Frei, G.; Kuehne, G.; Schaefer, R.; Pofahl, S.; Roennow, H. M. R.; Pfeiffer, F.

    2008-01-01

    We report on how a neutron grating interferometer can yield projection images of the internal domain structure in bulk ferromagnetic samples. The image contrast relies on the ultrasmall angle scattering of unpolarized neutrons at domain wall structures in the specimen. The results show the basic domains of (110)-oriented sheets in an FeSi test sample. The obtained domain structures could be correlated with surface sensitive magneto-optical Kerr effect micrographs

  16. Bulk magnetic domain structures visualized by neutron dark-field imaging

    Science.gov (United States)

    Grünzweig, C.; David, C.; Bunk, O.; Dierolf, M.; Frei, G.; Kühne, G.; Schäfer, R.; Pofahl, S.; Rønnow, H. M. R.; Pfeiffer, F.

    2008-09-01

    We report on how a neutron grating interferometer can yield projection images of the internal domain structure in bulk ferromagnetic samples. The image contrast relies on the ultrasmall angle scattering of unpolarized neutrons at domain wall structures in the specimen. The results show the basic domains of (110)-oriented sheets in an FeSi test sample. The obtained domain structures could be correlated with surface sensitive magneto-optical Kerr effect micrographs.

  17. 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 ...

  18. 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...

  19. Organic bulk heterojunction photovoltaic structures: design, morphology and properties

    International Nuclear Information System (INIS)

    Bulavko, G V; Ishchenko, A A

    2014-01-01

    Main approaches to the design of organic bulk heterojunction photovoltaic structures are generalized and systematized. Novel photovoltaic materials based on fullerenes, organic dyes and related compounds, graphene, conjugated polymers and dendrimers are considered. The emphasis is placed on correlations between the chemical structure and properties of materials. The effect of morphology of the photoactive layer on the photovoltaic properties of devices is analyzed. Main methods of optimization of the photovoltaic properties are outlined. The bibliography includes 338 references

  20. 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)

  1. Determination of average activating thermal neutron flux in bulk samples

    International Nuclear Information System (INIS)

    Doczi, R.; Csikai, J.; Doczi, R.; Csikai, J.; Hassan, F. M.; Ali, M.A.

    2004-01-01

    A previous method used for the determination of the average neutron flux within bulky samples has been applied for the measurements of hydrogen contents of different samples. An analytical function is given for the description of the correlation between the activity of Dy foils and the hydrogen concentrations. Results obtained by the activation and the thermal neutron reflection methods are compared

  2. 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)

  3. 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.

  4. 350 keV accelerator based PGNAA setup to detect nitrogen in bulk samples

    International Nuclear Information System (INIS)

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

    2013-01-01

    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

  5. 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.

  6. 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

  7. Gamma self-shielding correction factors calculation for aqueous bulk sample analysis by PGNAA technique

    International Nuclear Information System (INIS)

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

    2009-01-01

    In this paper bulk sample prompt gamma neutron activation analysis (BSPGNAA) was applied to aqueous sample analysis using a relative method. For elemental analysis of an unknown bulk sample, gamma self-shielding coefficient was required. Gamma self-shielding coefficient of unknown samples was estimated by an experimental method and also by MCNP code calculation. The proposed methodology can be used for the determination of the elemental concentration of unknown aqueous samples by BSPGNAA where knowledge of the gamma self-shielding within the sample volume is required.

  8. Effect of density increase on self-absorption property of bulk samples

    International Nuclear Information System (INIS)

    Dao Anh Minh; Tran Duc Thiep

    1990-01-01

    Asymptotic behaviour due to self-absorption of photon attenuation function in terms of material density for bulk samples has been considered. Some practical applications have also been presented. (author). 9 refs., 4 figs., 2 tabs

  9. 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.

  10. High resolution gamma-ray spectroscopy applied to bulk sample analysis

    International Nuclear Information System (INIS)

    Kosanke, K.L.; Koch, C.D.; Wilson, R.D.

    1980-01-01

    A high resolution Ge(Li) gamma-ray spectrometer has been installed and made operational for use in routine bulk sample analysis by the Bendix Field Engineering Corporation (BFEC) geochemical analysis department. The Ge(Li) spectrometer provides bulk sample analyses for potassium, uranium, and thorium that are superior to those obtained by the BFEC sodium iodide spectrometer. The near term analysis scheme permits a direct assay for uranium that corrects for bulk sample self-absorption effects and is independent of the uranium/radium disequilibrium condition of the sample. A more complete analysis scheme has been developed that fully utilizes the gamma-ray data provided by the Ge(Li) spectrometer and that more properly accounts for the sample self-absorption effect. This new analysis scheme should be implemented on the BFEC Ge(Li) spectrometer at the earliest date

  11. 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

  12. Use of thermal neutron reflection method for chemical analysis of bulk samples

    International Nuclear Information System (INIS)

    Papp, A.; Csikai, J.

    2014-01-01

    Microscopic, σ β , and macroscopic, Σ β , reflection cross-sections of thermal neutrons averaged over bulk samples as a function of thickness (z) are given. The σ β values are additive even for bulk samples in the z=0.5–8 cm interval and so the σ βmol (z) function could be given for hydrogenous substances, including some illicit drugs, explosives and hiding materials of ∼1000 cm 3 dimensions. The calculated excess counts agree with the measured R(z) values. For the identification of concealed objects and chemical analysis of bulky samples, different neutron methods need to be used simultaneously. - Highlights: • Check the proposed analytical expression for the description of the flux. • Determination of the reflection cross-sections averaged over bulk samples. • Data rendered to estimate the excess counts for various materials

  13. Use of thermal neutron reflection method for chemical analysis of bulk samples

    Energy Technology Data Exchange (ETDEWEB)

    Papp, A., E-mail: papppa@atomki.hu [Institute of Nuclear Research of the Hungarian Academy of Sciences, (ATOMKI), 4001 Debrecen, Pf. 51 (Hungary); Csikai, J. [Institute of Nuclear Research of the Hungarian Academy of Sciences, (ATOMKI), 4001 Debrecen, Pf. 51 (Hungary); Institute of Experimental Physics, University Debrecen (IEP), 4010 Debrecen-10, Pf. 105 (Hungary)

    2014-09-11

    Microscopic, σ{sub β}, and macroscopic, Σ{sub β}, reflection cross-sections of thermal neutrons averaged over bulk samples as a function of thickness (z) are given. The σ{sub β} values are additive even for bulk samples in the z=0.5–8 cm interval and so the σ{sub βmol}(z) function could be given for hydrogenous substances, including some illicit drugs, explosives and hiding materials of ∼1000 cm{sup 3} dimensions. The calculated excess counts agree with the measured R(z) values. For the identification of concealed objects and chemical analysis of bulky samples, different neutron methods need to be used simultaneously. - Highlights: • Check the proposed analytical expression for the description of the flux. • Determination of the reflection cross-sections averaged over bulk samples. • Data rendered to estimate the excess counts for various materials.

  14. Progress in quantitative X-ray microanalysis of frozen-hydrated bulk biological samples

    International Nuclear Information System (INIS)

    Marshall, A.T.

    1988-01-01

    The analysis of bulk frozen-hydrated biological samples has developed now to a level where practical application of the technique is possible. Provided the sample is carefully coated with a conductive metal, the development of a space charge capable of causing a significant distortion of the electron diffusion volume does not seem to occur, and analytical resolution can be conveniently held to approximately 2 micron (both depth and lateral resolution). Two valid quantitative methods are available, and two methods of determining dry weight fractions are also available. An area where further research could lead to improvement in analysis of frozen-hydrated bulk samples is in the investigation of fracturing methods. If fracture planes that were flat and reproducible could be easily obtained, some of the difficulties of analysing frozen-hydrated bulk samples would be considerably reduced

  15. The complex ac susceptibility of superconducting Y-Ba-CuO thin film and bulk samples

    International Nuclear Information System (INIS)

    Lobotka, P.; Goemoery, F.

    1988-01-01

    Complex ac susceptibility measurements as function of temperature on Y-Ba-CuO superconductors are reported. A strong dependence of the susceptibility curves on the ac field magnitude and little influence of the superimposed dc field are observed on both, thin film and bulk samples. The susceptibilities of these materials are frequency independent in the range 30 to 7200 Hz what demonstrates the negligible role of eddy currents. A second peak in the imaginary part of susceptibility is observed in the bulk sample at higher levels of ac field. This implies the existence of another component in the sample with higher T c and lower losses. (author)

  16. Efficiency and attenuation correction factors determination in gamma spectrometric assay of bulk samples using self radiation

    International Nuclear Information System (INIS)

    Haddad, Kh.

    2009-02-01

    Gamma spectrometry forms the most important and capable tool for measuring radioactive materials. Determination of the efficiency and attenuation correction factors is the most tedious problem in the gamma spectrometric assay of bulk samples. A new experimental and easy method for these correction factors determination using self radiation was proposed in this work. An experimental study of the correlation between self attenuation correction factor and sample thickness and its practical application was also introduced. The work was performed on NORM and uranyl nitrate bulk sample. The results of proposed methods agreed with those of traditional ones.(author)

  17. 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

  18. 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.

  19. 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.

  20. Neutron moderation in a bulk sample and its effects on PGNAA setup geometry

    International Nuclear Information System (INIS)

    Al-Jarallah, M.I.; Naqvi, A.A.; Fazal-ur-Rehman,; Maselehuddin, M.; Abu-Jarad, F.; Raashid, M.

    2003-01-01

    In a prompt gamma ray neutron activation analysis (PGNAA) setup, the neutron moderation in the bulk sample also plays a key role. This can even dominate the thermalization effects of the external moderator in some cases. In order to study the neutron moderation effect in the bulk sample, moderators with two different sizes of the sample were tested at the King Fahd University of Petroleum and Minerals (KFUPM) PGNAA facility. In these tests, the thermal neutron relative intensity and prompt gamma ray yield from the two moderators were measured using nuclear track detectors (NTDs) and NaI detector, respectively. As predicted by Monte Carlo simulations, the measured intensity of thermal neutron inside the large sample cavity due to the external moderator was smaller than that from the smaller sample cavity. Due to its larger size, additional thermalization of neutrons will take place in the larger sample. In spite of smaller thermal neutron yield from the external moderator at the large sample location, higher yield of the prompt gamma ray was observed as compared to that from the smaller sample. This confirms the significance of neutron moderation effects in the bulk sample and can thereby affect the PGNAA geometry size. This allows larger samples in conjunction with smaller moderators in the PGNAA setup

  1. Neutron moderation in a bulk sample and its effects on PGNAA setup geometry

    Energy Technology Data Exchange (ETDEWEB)

    Al-Jarallah, M.I. E-mail: mibrahim@kfupm.edu.sa; Naqvi, A.A.; Fazal-ur-Rehman,; Maselehuddin, M.; Abu-Jarad, F.; Raashid, M

    2003-06-01

    In a prompt gamma ray neutron activation analysis (PGNAA) setup, the neutron moderation in the bulk sample also plays a key role. This can even dominate the thermalization effects of the external moderator in some cases. In order to study the neutron moderation effect in the bulk sample, moderators with two different sizes of the sample were tested at the King Fahd University of Petroleum and Minerals (KFUPM) PGNAA facility. In these tests, the thermal neutron relative intensity and prompt gamma ray yield from the two moderators were measured using nuclear track detectors (NTDs) and NaI detector, respectively. As predicted by Monte Carlo simulations, the measured intensity of thermal neutron inside the large sample cavity due to the external moderator was smaller than that from the smaller sample cavity. Due to its larger size, additional thermalization of neutrons will take place in the larger sample. In spite of smaller thermal neutron yield from the external moderator at the large sample location, higher yield of the prompt gamma ray was observed as compared to that from the smaller sample. This confirms the significance of neutron moderation effects in the bulk sample and can thereby affect the PGNAA geometry size. This allows larger samples in conjunction with smaller moderators in the PGNAA setup.

  2. Bulk - Samples gamma-rays activation analysis (PGNAA) with Isotopic Neutron Sources

    International Nuclear Information System (INIS)

    HASSAN, A.M.

    2009-01-01

    An overview is given on research towards the Prompt Gamma-ray Neutron Activation Analysis (PGNAA) of bulk-samples. Some aspects in bulk-sample PGNAA are discussed, where irradiation by isotopic neutron sources is used mostly for in-situ or on-line analysis. The research was carried out in a comparative and/or qualitative way or by using a prior knowledge about the sample material. Sometimes we need to use the assumption that the mass fractions of all determined elements add up to 1. The sensitivity curves are also used for some elements in such complex samples, just to estimate the exact percentage concentration values. The uses of 252 Cf, 241 Arn/Be and 239 Pu/Be isotopic neutron sources for elemental investigation of: hematite, ilmenite, coal, petroleum, edible oils, phosphates and pollutant lake water samples have been mentioned.

  3. 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

  4. 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

  5. Combination closed-cycle refrigerator/liquid-He4 cryostat for e- damage of bulk samples

    International Nuclear Information System (INIS)

    Johnson, E.C.

    1987-01-01

    A closed-cycle refrigerator/cryostat system for use in ultrasonic studies of electron irradiation damaged bulk specimens is described. The closed-cycle refrigerator provides a convenient means for long-term (several days) sample irradiation at low temperatures. A neon filled ''thermal diode'' is employed to permit efficient cooling, via liquid helium, of the sample below the base temperature of the refrigerator

  6. Analyses and Comparison of Bulk and Coil Surface Samples from the DWPF Slurry Mix Evaporator

    International Nuclear Information System (INIS)

    Hay, M.; Nash, C.; Stone, M.

    2012-01-01

    Sludge samples from the DWPF Slurry Mix Evaporator (SME) heating coil frame and coil surface were characterized to identify differences that might help identify heat transfer fouling materials. The SME steam coils have seen increased fouling leading to lower boil-up rates. Samples of the sludge were taken from the coil frame somewhat distant from the coil (bulk tank material) and from the coil surface (coil surface sample). The results of the analysis indicate the composition of the two SME samples are very similar with the exception that the coil surface sample shows ∼5-10X higher mercury concentration than the bulk tank sample. Elemental analyses and x-ray diffraction results did not indicate notable differences between the two samples. The ICP-MS and Cs-137 data indicate no significant differences in the radionuclide composition of the two SME samples. Semi-volatile organic analysis revealed numerous organic molecules, these likely result from antifoaming additives. The compositions of the two SME samples also match well with the analyzed composition of the SME batch with the exception of significantly higher silicon, lithium, and boron content in the batch sample indicating the coil samples are deficient in frit relative to the SME batch composition.

  7. The structural relaxation effect on the nanomechanical properties of a Ti-based bulk metallic glass

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yongjiang, E-mail: yjhuang@hit.edu.cn [State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin 150001 (China); School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Key Laboratory of Micro-Systems and Micro-Structures Manufacturing, Harbin Institute of Technology, Ministry of Education, Harbin 150001 (China); Zhou, Binjun [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Chiu, YuLung, E-mail: y.chiu@bham.ac.uk [School of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Fan, Hongbo [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Wang, Dongjun [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Key Laboratory of Micro-Systems and Micro-Structures Manufacturing, Harbin Institute of Technology, Ministry of Education, Harbin 150001 (China); Sun, Jianfei; Shen, Jun [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)

    2014-09-01

    Highlights: • The effect of structural relaxation on the nano-mechanical behaviors of BMGs is studied. • The indent load at first pop-in event, the hardness and Young’s modulus are enhanced after annealing. • The differences in nanomechanical properties can be attributed to their different atomic structure. - Abstract: Indentation experiments were performed on the as-cast and the annealed Ti-based bulk metallic glass samples to investigate the effect of structural relaxation on the nanomechanical behaviors of the material. The onset of pop-in event, Young’s modulus, and hardness were found to be sensitive to the structural relaxation of the testing material. The difference in nanomechanical properties between the as-cast and annealed BMG samples is interpreted in terms of free volume theory.

  8. The structural relaxation effect on the nanomechanical properties of a Ti-based bulk metallic glass

    International Nuclear Information System (INIS)

    Huang, Yongjiang; Zhou, Binjun; Chiu, YuLung; Fan, Hongbo; Wang, Dongjun; Sun, Jianfei; Shen, Jun

    2014-01-01

    Highlights: • The effect of structural relaxation on the nano-mechanical behaviors of BMGs is studied. • The indent load at first pop-in event, the hardness and Young’s modulus are enhanced after annealing. • The differences in nanomechanical properties can be attributed to their different atomic structure. - Abstract: Indentation experiments were performed on the as-cast and the annealed Ti-based bulk metallic glass samples to investigate the effect of structural relaxation on the nanomechanical behaviors of the material. The onset of pop-in event, Young’s modulus, and hardness were found to be sensitive to the structural relaxation of the testing material. The difference in nanomechanical properties between the as-cast and annealed BMG samples is interpreted in terms of free volume theory

  9. 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...

  10. 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.

  11. Titania doping effect on superconducting properties of MgB{sub 2} bulk samples

    Energy Technology Data Exchange (ETDEWEB)

    Serrano, G; Serquis, A [Institute Balseiro - Centra Atomico Bariloche and CONICET, (8400) S. C. de Bariloche, Rio Negro (Argentina); Bridoux, G, E-mail: serranog@ib.cnea.gov.a [Institute Balseiro - Centra Atomico Bariloche, (8400) S. C. de Bariloche, Rio Negro (Argentina)

    2009-05-01

    In this work we study the microstructural and superconducting properties of doped and undoped bulk MgB{sub 2} samples prepared by solid-state reaction, with 0 and 2.5 %at. nominal TiO{sub 2} nanotubes contents, annealed at different temperatures in the 750-900 deg. C range. We discuss the T{sub c}, J{sub c} and H{sub c2} performance and their correlation with the different synthesis parameters.

  12. 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.

  13. 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.)

  14. ENVIRONMENTAL SAMPLING USING LOCATION SPECIFIC AIR MONITORING IN BULK HANDLING FACILITIES

    Energy Technology Data Exchange (ETDEWEB)

    Sexton, L.; Hanks, D.; Degange, J.; Brant, H.; Hall, G.; Cable-Dunlap, P.; Anderson, B.

    2011-06-07

    Since the introduction of safeguards strengthening measures approved by the International Atomic Energy Agency (IAEA) Board of Governors (1992-1997), international nuclear safeguards inspectors have been able to utilize environmental sampling (ES) (e.g. deposited particulates, air, water, vegetation, sediments, soil and biota) in their safeguarding approaches at bulk uranium/plutonium handling facilities. Enhancements of environmental sampling techniques used by the IAEA in drawing conclusions concerning the absence of undeclared nuclear materials or activities will soon be able to take advantage of a recent step change improvement in the gathering and analysis of air samples at these facilities. Location specific air monitoring feasibility tests have been performed with excellent results in determining attribute and isotopic composition of chemical elements present in an actual test-bed sample. Isotopic analysis of collected particles from an Aerosol Contaminant Extractor (ACE) collection, was performed with the standard bulk sampling protocol used throughout the IAEA network of analytical laboratories (NWAL). The results yielded bulk isotopic values expected for the operations. Advanced designs of air monitoring instruments such as the ACE may be used in gas centrifuge enrichment plants (GCEP) to detect the production of highly enriched uranium (HEU) or enrichments not declared by a State. Researchers at Savannah River National Laboratory in collaboration with Oak Ridge National Laboratory are developing the next generation of ES equipment for air grab and constant samples that could become an important addition to the international nuclear safeguards inspector's toolkit. Location specific air monitoring to be used to establish a baseline environmental signature of a particular facility employed for comparison of consistencies in declared operations will be described in this paper. Implementation of air monitoring will be contrasted against the use of smear

  15. 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.

  16. Interpolymer Complexation: Comparisons of Bulk and Interfacial Structures

    NARCIS (Netherlands)

    Cattoz, Beatrice; de Vos, Wiebe Matthijs; Cosgrove, Terence; Crossman, Martin; Espidel, Youssef; Prescott, Stuart W.

    2015-01-01

    The interactions between the strong polyelectrolyte sodium poly(styrenesulfonate), NaPSS, and the neutral polymer poly(vinylpyrrolidone), PVP, were investigated in bulk and at the silica/solution interface using a combination of diffusion nuclear magnetic resonance spectroscopy (NMR), small-angle

  17. 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.

  18. Prompt Gamma Activation Analysis (PGAA): Technique of choice for nondestructive bulk analysis of returned comet samples

    International Nuclear Information System (INIS)

    Lindstrom, D.J.; Lindstrom, R.M.

    1989-01-01

    Prompt gamma activation analysis (PGAA) is a well-developed analytical technique. The technique involves irradiation of samples in an external neutron beam from a nuclear reactor, with simultaneous counting of gamma rays produced in the sample by neutron capture. Capture of neutrons leads to excited nuclei which decay immediately with the emission of energetic gamma rays to the ground state. PGAA has several advantages over other techniques for the analysis of cometary materials: (1) It is nondestructive; (2) It can be used to determine abundances of a wide variety of elements, including most major and minor elements (Na, Mg, Al, Si, P, K, Ca, Ti, Cr, Mn, Fe, Co, Ni), volatiles (H, C, N, F, Cl, S), and some trace elements (those with high neutron capture cross sections, including B, Cd, Nd, Sm, and Gd); and (3) It is a true bulk analysis technique. Recent developments should improve the technique's sensitivity and accuracy considerably

  19. Use of muonic x rays for nondestructive analysis of bulk samples for low Z constituents

    International Nuclear Information System (INIS)

    Reidy, J.J.; Hutson, R.L.; Daniel, H.; Springer, K.

    1978-01-01

    Muonic x rays have been used in quantitative analysis on bulk samples of ''tissue equivalent'' material whose primary constituents are low Z elements (Z less than or equal to 20). The muonic x-ray spectrum resulting from negative muons stopping in ''tissue equivalent'' materials has been obtained. Relative muonic x-ray intensities were determined and correlated with atomic abundances in these materials. A comparison of the results for the various samples is presented. This work establishes the usefulness of this technique for analyses of gross specimens (greater than or equal to few grams) for elements with 6 less than or equal to Z less than or equal to 20 and atomic abundances greater than 0.15 percent

  20. Dynamics and diffusive-conformational coupling in polymer bulk samples and surfaces: a molecular dynamics study

    International Nuclear Information System (INIS)

    Vree, C; Mayr, S G

    2010-01-01

    The impact of free surfaces on the mobility and conformational fluctuations of model polymer chains is investigated with the help of classical molecular dynamics simulations over a broad temperature range. Below a critical temperature, T*, similar to the critical temperature of the mode coupling theory, the center-of-mass displacements and temporal fluctuations of the radius of gyration of individual chains-as a fingerprint of structural reconfigurations-reveal a strong enhancement close to surfaces, while this effect diminishes with increasing temperature and observation time. Interpreting conformational fluctuations as a random walk in conformational space, identical activation enthalpies for structural reconfigurations and diffusion are obtained within the error bars in the bulk and at the surfaces, thus indicating a coupling of diffusive and conformational dynamics.

  1. The local structure nature for a Ti-based bulk metallic glass

    International Nuclear Information System (INIS)

    Chen, Yiqiang; Huang, Yongjiang; Fan, Hongbo; Wang, Dongjun; Shen, Jun

    2013-01-01

    Highlights: ► The directional bonds in TiZrNiCuBe bulk metallic glass are primarily comprised of Be-Ni and Be-Cu bonds. ► A coefficient η could be extracted from Raman scattering to characterize the glass forming ability. ► The weak directional bonds dependent on Be could increase the localized electrons, facilitating the glass forming ability. - Abstract: In the present work, the local atomic structures of a Be-containing Ti-based bulk metallic glass (BMG) have been characterized using electron spectrum for chemical analysis and Raman scattering, including directional bonds and medium range order. It might suggest that a coefficient could be extracted from Raman scattering to characterize the glass forming ability (GFA), which could be employed to interpret the enhanced GFA by Be addition of Ti-based BMG. Additionally, compared with the crystallized sample, the glassy sample exhibits larger average bond length and larger content of local bond distortion using Raman scattering.

  2. Utilization of neutrons in nuclear data measurements and bulk sample analysis

    International Nuclear Information System (INIS)

    Jonah, S. A.

    1995-01-01

    Experimental investigations were carried out with neutrons in the fields of neutron data measurements and bulk sample analysis based on the interactions of neutron interactions required in the investigations together with some salient features of the sources employed are enumerated. Excitation cross section curves and isomeric cross section ratio of 58 Ni(n,p) 58 Co m , g reaction over the neutron energy range of between 5 and 15 MeV were determined using the activation analysis technique in combination with high-resolution gamma spectroscopy. Characteristics of the incident neutrons produced via the D-T reaction of a neutron generator and D-D reaction of a cyclotron were determined experimentally to account for the contributing effects of background neutrons especially in the 5-13 MeV neutron energy range where existing data are scanty and rather discrepant. The measured data agree well with calculated data using nuclear models but deviate significantly from the recommended data based on existing literature data. The measured δ act and δ m /δ g data made it possible to determine the cross section curve for 58 Ni(n,p) 58 Co m reaction. Furthermore the flux density distributions of thermal and primary fast neutrons in different configurations of bulk samples consisting of water, graphite and coal together with the attenuation characteristics were determined by the activation analysis and pulse height response spectrometry techniques. From the results obtained, an experimental geometry has been proposed for on-line elemental analysis of coal and other minerals. Similarly the total hydrogen content and 0+C/H atomic ratio in household and motor oils as well as crude oil samples of different origins were measured by an improved experimental arrangement based on the thermal neutron reflection technique. A detection limit of 0.12 w % was obtained for hydrogen indicating the possible adaptation of this technique for quality control of petroleum products

  3. δ(15) N from soil to wine in bulk samples and proline.

    Science.gov (United States)

    Paolini, Mauro; Ziller, Luca; Bertoldi, Daniela; Bontempo, Luana; Larcher, Roberto; Nicolini, Giorgio; Camin, Federica

    2016-09-01

    The feasibility of using δ(15) N as an additional isotopic marker able to link wine to its area of origin was investigated. The whole production chain (soil-leaves-grape-wine) was considered. Moreover, the research included evaluation of the effect of the fermentation process, the use of different types of yeast and white and red vinification, the addition of nitrogen adjuvants and ultrasound lysis simulating wine ageing. The δ(15) N of grapes and wine was measured in bulk samples and compounds, specifically in proline, for the first time. Despite isotopic fractionation from soil to wine, the δ(15) N values of leaves, grapes, wine and particularly must and wine proline conserved the variability of δ(15) N in the growing soil. Fermentation and ultrasound treatment did not affect the δ(15) N values of grape must, which was therefore conserved in wine. The addition of inorganic or organic adjuvants was able to influence the δ(15) N of bulk wine, depending on the amount and the difference between the δ(15) N of must and that of the adjuvant. The δ(15) N of wine proline was not influenced by adjuvant addition and is therefore the best marker for tracing the geographical origin of wine. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  4. Measurement of the loss on ignition of bulk calcined bauxite samples by neutron moderation

    International Nuclear Information System (INIS)

    Aylmer, J.A.; Borsaru, M.

    1985-01-01

    The production of high-grade calcined bauxite is very dependent on the moisture content of the final product. Existing procedures rely on the ignition of small samples to monitor the effectiveness of the calcination process. The results obtained by this gravimetric technique are several hours behind production and do not permit regular adjustment of the furnace to optimize the control of the chemically bound water content (LOI). To provide rapid and more relevant results, a neutron moderation technique has been developed for measuring the LOI of bulk samples of calcined bauxite while they are still hot. The method uses fast neutrons from an 241 Am-Be neutron source to irradiate the samples, and the backscattered thermal neutrons detected are a measure of bound moisture content. The rms deviation between neutron and conventional determinations of LOI, in 15 calcined bauxite samples, was 0.08 per cent LOI over the range 0.1 to 0.9 per cent LOI. When allowance is made for the rms error in the ignition method, the error in the neutron method is found to be 0.07 per cent LOI

  5. 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.

  6. Interpolymer complexation: comparisons of bulk and interfacial structures.

    Science.gov (United States)

    Cattoz, Beatrice; de Vos, Wiebe M; Cosgrove, Terence; Crossman, Martin; Espidel, Youssef; Prescott, Stuart W

    2015-04-14

    The interactions between the strong polyelectrolyte sodium poly(styrenesulfonate), NaPSS, and the neutral polymer poly(vinylpyrrolidone), PVP, were investigated in bulk and at the silica/solution interface using a combination of diffusion nuclear magnetic resonance spectroscopy (NMR), small-angle neutron scattering (SANS), solvent relaxation NMR, and ellipsometry. We show for the first time that complex formation occurs between NaPSS and PVP in solution; the complexes formed were shown not to be influenced by pH variation, whereas increasing the ionic strength increases the complexation of NaPSS but does not influence the PVP directly. The complexes formed contained a large proportion of NaPSS. Study of these interactions at the silica interface demonstrated that complexes also form at the nanoparticle interface where PVP is added in the system prior to NaPSS. For a constant PVP concentration and varying NaPSS concentration, the system remains stable until NaPSS is added in excess, which leads to depletion flocculation. Surface complex formation using the layer-by-layer technique was also reported at a planar silica interface.

  7. Pursuit of improvement in uranium bulk analysis at the clear facility for safeguards environmental samples

    International Nuclear Information System (INIS)

    Sakurai, S.; Takahashi, M.; Sakakibara, T.; Magara, M.; Kurosawa, S.; Esaka, F.; Takai, K.; Watanabe, K.; Usuda, S.; Adachi, T.

    2002-01-01

    Full text: In order to contribute to the IAEA strengthened safeguards system, a project started in Japan Atomic Energy Research Institute (JAERI) in 1998. Consequently, a clean room facility called as CLEAR, the Clean Laboratory for Environmental Analysis and Research, was constructed in June 2001 at JAERI Tokai and the analytical techniques of ultra-trace nuclear materials in environmental samples are being developed. As for the bulk analysis, performance of inductively-coupled plasma mass spectrometry (ICP-MS) was mainly examined because sample preparation for ICP-MS is simpler than that for thermal ionization mass spectrometry (TIMS). Interference of polyatomic ion (such as PtAr + ) and coexisting element (such as Na) on the uranium ions, as well as mass bias caused by ICP-MS operating conditions, has been investigated for precise measurement on uranium isotope ratio. The authors have also studied on the uranium blanks during sample treatment process. The blank value below 10 pg uranium per sample treatment was obtained: dominant origins were elution from Teflon vessel surface in acid heating process of the sample to dry up. The work is in progress to minimize the blank. Compared with the process blank and the minimum uranium amount for isotope ratio measurement by ICP-MS (ca. 10 pg for natural uranium), the swipe cotton (Texwipe-304) which is currently used for IAEA Environmental Sampling includes much more amount of natural uranium in several nano-grams. If the amount of uranium collected on Texwipe-304 is small, sensitive and reliable measurement on isotope ratio will be impossible by bulk analysis. The authors are seeking alternative swipe materials with less amount of uranium. Recently, one of the authors devised an effective technique for recovery of uranium-containing particles from Texwipe-304. The technique, named as Vacuum Suction Method, uses a combination of polycarbonate membrane filters and a macro-pipette tip, which is connected to a vacuum pump

  8. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Shuai, E-mail: shuai.wei@asu.edu, E-mail: m.stolpe@mx.uni-saarland.de [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287 (United States); Stolpe, Moritz, E-mail: shuai.wei@asu.edu, E-mail: m.stolpe@mx.uni-saarland.de; Gross, Oliver; Gallino, Isabella; Hembree, William; Busch, Ralf [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Evenson, Zach [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), 51170 Köln (Germany); Bednarcik, Jozef [Deutsches Elektronen-Synchrotron DESY, Notkestrasse 85, D-22603 Hamburg (Germany); Kruzic, Jamie J. [Material Science, School of Mechanical, Industrial, and Manufacturing Engineering, Oregon State University, Corvallis, Oregon 97331 (United States)

    2015-05-04

    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{sub 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.

  10. Implementation of Mass Spectrometry for Bulk Analysis of Environmental and Nuclear Material Inspection Samples

    International Nuclear Information System (INIS)

    Bulyha, S.; Cunningham, A.; Koepf, A.; Macsik, Z.; Poths, J.

    2015-01-01

    In the frame of the ECAS project (Enhancing Capabilities of Safeguards Analytical Services) the IAEA Office of Safeguards Analytical Services has implemented the latest-generation inductively coupled plasma mass spectrometers, or ICP-MS, for (i) bulk analysis of uranium and plutonium isotopes in environmental inspection samples and (ii) impurity analyzes in uranium samples. The measurement accuracy for n(U-235)/ n(U-238) ratios has been improved by approximately five times with the new multi-collector ICP-MS equipment. Use of modern ICP-MS enabled also an improvement of instrumental detection limits for U-233 and U-236 and Pu isotopes by at least one order of magnitude in comparison to the values, which had been achieved with the previously used methods. The improved accuracy and precision for isotope ratio measurements is mainly due to the higher sensitivity and the possibility to simultaneously detect several U isotopes with a multi-collector detector block. Implementation of the ICP-MS has also demonstrated a possibility for an increased sample throughput. In parallel to the implementation of the ICP-MS, a new version of the ''modified total evaporation'' (MTE) method has been developed for isotopic analysis of uranium samples by multi-collector thermal ionization mass spectrometry (TIMS). The MTE method provides a measurement performance which is, in particular for minor uranium isotopes, by several orders of magnitude superior compared to the commonly used ''total evaporation'' method. The new mass spectrometric techniques significantly improve the capability of the IAEA safeguards laboratories to detect the presence of non-natural uranium and plutonium isotopes in environmental swipe samples and to identify previously imperceptible differences in nuclear ''signatures''. Thus, they enhance the IAEA's ability to obtain independent, timely and quality-assured safeguards-relevant data and ensure

  11. 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.

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

    Science.gov (United States)

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

    2014-05-01

    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.

  13. 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.

  14. Bulk band structure of Bi2Te3

    DEFF Research Database (Denmark)

    Michiardi, Matteo; Aguilera, Irene; Bianchi, Marco

    2014-01-01

    -electron full-potential linearized augmented-plane-wave (FLAPW) formalism, fully taking into account spin-orbit coupling. Quasiparticle effects produce significant changes in the band structure of Bi2Te3 when compared to LDA. Experimental and calculated results are compared in the spectral regions where...

  15. Post-CMOS Micromachining of Surface and Bulk Structures

    Science.gov (United States)

    2002-05-06

    Structures iii Acknowledgements I would like to thank my advisors, Professor Gary K. Fedder and Professor Dave W. Greve, for their continuing support...Donnelly, Plasma Chem. Plasma Process, vol. 1, pp. 37, 1981. [54] J. L. Mauer, J. S. Logan, L. B. Zielinski , and G. S. Schwartz, J. Vac. Sci. Technol

  16. 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.

  17. Detection of Coxiella burnetii by PCR in bulk tank milk samples from dairy caprine herds in southeast of Iran

    Directory of Open Access Journals (Sweden)

    Mohammad Khalili

    2015-02-01

    Full Text Available Objective: To use PCR for the detection of Coxiella burnetii (C. burnetii in bulk tank milk samples collected from dairy caprine herds in southeast Iran. Methods: In the present study, 31 goat bulk milk from 31 dairy goat herds were tested for C. burnetii using trans-PCR assay. The animals which their milk samples collected for this study were clinically healthy. Results: In total, 5 of 31 (16.12% goat milk samples were positive. Conclusions: The results of this study indicate clinically healthy dairy goats are important sources of C. burnetii infection in this area.

  18. Synthesis and structural characterization of bulk Sb2Te3 single crystal

    Science.gov (United States)

    Sultana, Rabia; Gahtori, Bhasker; Meena, R. S.; Awana, V. P. S.

    2018-05-01

    We report the growth and characterization of bulk Sb2Te3 single crystal synthesized by the self flux method via solid state reaction route from high temperature melt (850˚C) and slow cooling (2˚C/hour) of constituent elements. The single crystal X-ray diffraction pattern showed the 00l alignment and the high crystalline nature of the resultant sample. The rietveld fitted room temperature powder XRD revealed the phase purity and rhombohedral structure of the synthesized crystal. The formation and analysis of unit cell structure further verified the rhombohedral structure composed of three quintuple layers stacked one over the other. The SEM image showed the layered directional growth of the synthesized crystal carried out using the ZEISS-EVOMA-10 scanning electron microscope The electrical resistivity measurement was carried out using the conventional four-probe method on a quantum design Physical Property Measurement System (PPMS). The temperature dependent electrical resistivity plot for studied Sb2Te3 single crystal depicts metallic behaviour in the absence of any applied magnetic field. The synthesis as well as the structural characterization of as grown Sb2Te3 single crystal is reported and discussed in the present letter.

  19. 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 ...

  20. 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

    ... interpretation of point count data 3 is available. This method is applicable to all bulk samples of friable... matrices are not currently available. Data obtained for samples containing a single asbestos type in a... and characterization of fibrous and nonfibrous amphiboles for analytical methods development, pp. 295...

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

    DEFF Research Database (Denmark)

    Andryieuski, Andrei; Malureanu, Radu; Lavrinenko, Andrei

    2009-01-01

    constitutive elements possess cubic symmetry, thus we preserve it for the whole unit cell. The concept can be applied for any frequencies; however, we are targeting optical and THz ranges. We report on numerical characterization of two particular designs, called as “split-cube-in-cage” and “split......-cube-in-carcass”, revealing negative index behaviour. Two approaches are applied – effective parameters approximation and phenomenological one, showing excellent correlation in results. The designs show good results in isotropy of effective properties and their convergence with the thickness of a sample. Apart from design...

  2. 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.

  3. 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.

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

    International Nuclear Information System (INIS)

    Boltynjuk, E. V.; Ubyivovk, E. V.; Kshumanev, A. M.; Gunderov, D. V.; Lukianov, A. V.; Bednarz, A.; Valiev, R. Z.

    2016-01-01

    The structural properties of a Zr_6_2Cu_2_2Al_1_0Fe_5Dy_1 bulk metallic glasses were investigated. Cylindrical rods of the Zr_6_2Cu_2_2Al_1_0Fe_5Dy_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.

  5. Incorporating mesh-insensitive structural stress into the fatigue assessment procedure of common structural rules for bulk carriers

    Directory of Open Access Journals (Sweden)

    Seong-Min Kim

    2015-01-01

    Full Text Available This study introduces a fatigue assessment procedure using mesh-insensitive structural stress method based on the Common Structural Rules for Bulk Carriers by considering important factors, such as mean stress and thickness effects. The fatigue assessment result of mesh-insensitive structural stress method have been compared with CSR procedure based on equivalent notch stress at major hot spot points in the area near the ballast hold for a 180 K bulk carrier. The possibility of implementing mesh-insensitive structural stress method in the fatigue assessment procedure for ship structures is discussed.

  6. Effect of Concentration on the Interfacial and Bulk Structure of Ionic Liquids in Aqueous Solution.

    Science.gov (United States)

    Cheng, H-W; Weiss, H; Stock, P; Chen, Y-J; Reinecke, C R; Dienemann, J-N; Mezger, M; Valtiner, M

    2018-02-27

    Bio and aqueous applications of ionic liquids (IL) such as catalysis in micelles formed in aqueous IL solutions or extraction of chemicals from biologic materials rely on surface-active and self-assembly properties of ILs. Here, we discuss qualitative relations of the interfacial and bulk structuring of a water-soluble surface-active IL ([C 8 MIm][Cl]) on chemically controlled surfaces over a wide range of water concentrations using both force probe and X-ray scattering experiments. Our data indicate that IL structuring evolves from surfactant-like surface adsorption at low IL concentrations, to micellar bulk structure adsorption above the critical micelle concentration, to planar bilayer formation in ILs with Interfacial structuring is controlled by mesoscopic bulk structuring at high water concentrations. Surface chemistry and surface charges decisively steer interfacial ordering of ions if the water concentration is low and/or the surface charge is high. We also demonstrate that controlling the interfacial forces by using self-assembled monolayer chemistry allows tuning of interfacial structures. Both the ratio of the head group size to the hydrophobic tail volume as well as the surface charging trigger the bulk structure and offer a tool for predicting interfacial structures. Based on the applied techniques and analyses, a qualitative prediction of molecular layering of ILs in aqueous systems is possible.

  7. Effect of sample thickness on the extracted near-infrared bulk optical properties of Bacillus subtilis in liquid culture.

    Science.gov (United States)

    Dzhongova, Elitsa; Harwood, Colin R; Thennadil, Suresh N

    2011-11-01

    In order to determine the bulk optical properties of a Bacillus subtilis culture during growth phase we investigated the effect of sample thickness on measurements taken with different measurement configurations, namely total diffuse reflectance and total diffuse transmittance. The bulk optical properties were extracted by inverting the measurements using the radiative transfer theory. While the relationship between reflectance and biomass changes with sample thickness and the intensity (absorbance) levels vary significantly for both reflectance and transmittance measurements, the extracted optical properties show consistent behavior in terms of both the relationship with biomass and magnitude. This observation indicates the potential of bulk optical properties for building models that could be more easily transferable compared to those built using raw measurements.

  8. Experimental Observation of Bulk Liquid Water Structure in ``No Man's Land''

    Science.gov (United States)

    Sellberg, Jonas; McQueen, Trevor; Huang, Congcong; Loh, Duane; Laksmono, Hartawan; Sierra, Raymond; Hampton, Christina; Starodub, Dmitri; Deponte, Daniel; Martin, Andrew; Barty, Anton; Wikfeldt, Thor; Schlesinger, Daniel; Pettersson, Lars; Beye, Martin; Nordlund, Dennis; Weiss, Thomas; Feldkamp, Jan; Caronna, Chiara; Seibert, Marvin; Messerschmidt, Marc; Williams, Garth; Boutet, Sebastien; Bogan, Michael; Nilsson, Anders

    2013-03-01

    Experiments on pure bulk water below about 235 K have so far been difficult: water crystallization occurs very rapidly below the homogeneous nucleation temperature of 232 K and above 160 K, leading to a ``no man's land'' devoid of experimental results regarding the structure. Here, we demonstrate a new, general experimental approach to study the structure of liquid states at supercooled conditions below their limit of homogeneous nucleation. We use femtosecond x-ray pulses generated by the LCLS x-ray laser to probe evaporatively cooled droplets of supercooled bulk water and find experimental evidence for the existence of metastable bulk liquid water down to temperatures of 223 K in the previously largely unexplored ``no man's land''. We acknoweledge NSF (CHE-0809324), Office of Basic Energy Sciences, and the Swedish Research Council for financial support.

  9. 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......Using the conventional techniques of mineralogy, it has been a challenge to determine mineral identity, crystal orientation and spatial position of micrometer-sized crystals that are embedded in a rock, sediment or soil. Traditionally, the individual grains must be extracted and analyzed separately...

  10. Bulk and Surface Structures of Palladium-Modified Copper-Zinc Oxides ex Hydroxycarbonate Precursors

    NARCIS (Netherlands)

    López Granados, M.; Melián-Cabrera, I.; Fierro, J.L.G.

    2002-01-01

    (Pd)-Cu-Zn ex hydroxycarbonate precursors were prepared and characterized by several bulk and surface techniques. A palladium-free Cu-Zn precursor (CZ) was prepared by coprecipitation. Two Pd-Cu-Zn samples were prepared by coprecipitation (PCZ-CP) and sequential precipitation (PCZ-SP). It is shown

  11. 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_2O 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 "1H spectrum of H_2O 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)

  12. Fabrication and structure of bulk nanocrystalline Al-Si-Ni-mishmetal alloys

    International Nuclear Information System (INIS)

    Latuch, Jerzy; Cieslak, Grzegorz; Kulik, Tadeusz

    2007-01-01

    Al-based alloys of structure consisting of nanosized Al crystals, embedded in an amorphous matrix, are interesting for their excellent mechanical properties, exceeding those of the commercial crystalline Al-based alloys. Recently discovered nanocrystalline Al alloys containing silicon (Si), rare earth metal (RE) and late transition metal (Ni), combine high tensile strength and good wear resistance. The aim of this work was to manufacture bulk nanocrystalline alloys from Al-Si-Ni-mishmetal (Mm) system. Bulk nanostructured Al 91-x Si x Ni 7 Mm 2 (x = 10, 11.6, 13 at.%) alloys were produced by ball milling of nanocrystalline ribbons followed by high pressure hot isostating compaction

  13. 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.

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

    Science.gov (United States)

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

    2017-11-21

    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 (C d ) for reline exhibits an asymmetric bell-shaped curve, signifying different variation of C d with positive and negative surface potentials.

  15. Structure and bulk modulus of Ln-doped UO{sub 2} (Ln = La, Nd) at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Rittman, Dylan R., E-mail: drittman@stanford.edu [Department of Geological Sciences, Stanford University, Stanford, CA 94305 (United States); Park, Sulgiye; Tracy, Cameron L. [Department of Geological Sciences, Stanford University, Stanford, CA 94305 (United States); Zhang, Lei [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California Davis, Davis, CA 95616 (United States); Department of Chemical Engineering and Materials Science, University of California Davis, Davis, CA 95616 (United States); Palomares, Raul I.; Lang, Maik [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Navrotsky, Alexandra [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California Davis, Davis, CA 95616 (United States); Department of Chemical Engineering and Materials Science, University of California Davis, Davis, CA 95616 (United States); Mao, Wendy L. [Department of Geological Sciences, Stanford University, Stanford, CA 94305 (United States); Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Ewing, Rodney C. [Department of Geological Sciences, Stanford University, Stanford, CA 94305 (United States)

    2017-07-15

    The structure of lanthanide-doped uranium dioxide, Ln{sub x}U{sub 1-x}O{sub 2-0.5x+y} (Ln = La, Nd), was investigated at pressures up to ∼50–55 GPa. Samples were synthesized with different lanthanides at different concentrations (x ∼ 0.2 and 0.5), and all were slightly hyperstoichiometric (y ∼ 0.25–0.4). In situ high-pressure synchrotron X-ray diffraction was used to investigate their high-pressure phase behavior and determine their bulk moduli. All samples underwent a fluorite-to-cotunnite phase transformation with increasing pressure. The pressure of the phase transformation increased with increasing hyperstoichiometry, which is consistent with results from previous computational simulations. Bulk moduli are inversely proportional to both the ionic radius of the lanthanide and its concentration, as quantified using a weighted cationic radius ratio. This trend was found to be consistent with the behavior of other elastic properties measured for Ln-doped UO{sub 2}, such as Young's modulus. - Highlights: •Ln-doped UO{sub 2} transforms from fluorite to cotunnite at high pressure. •Transition pressure increases with increasing hyperstoichiometry. •Bulk modulus decreases with increasing Ln-dopant radius and concentration.

  16. Ionic Liquids with Symmetric Diether Tails: Bulk and Vacuum-Liquid Interfacial Structures.

    Science.gov (United States)

    Hettige, Jeevapani J; Amith, Weththasinghage D; Castner, Edward W; Margulis, Claudio J

    2017-01-12

    The behavior in the bulk and at interfaces of biphilic ionic liquids in which either the cation or anion possesses moderately long alkyl tails is to a significant degree well understood. Less clear is what happens when both the cation and anion possess tails that are not apolar, such as in the case of ether functionalities. The current article discusses the structural characteristics of C2OC2OC2-mim + /C2OC2OC2-OSO 3 - in the bulk and at the vacuum interface. We find that the vacuum interface affects only the nanometer length scale. This is in contrast to what we have recently found in ( J. Phys. Chem. Lett. , 2016 , 7 ( 19 ), 3785 - -3790 ) for isoelectronic C[8]-mim + /C[8]-OSO 3 - , where the interface effect is long ranged. Interestingly, ions with the diether tail functionality still favor the tail-outward orientation at the vacuum interface and the bulk phase preserves the alternation between charged networks and tails that is commonly observed for biphilic ionic liquids. However, such alternation is less well-defined and results in a significantly diminished first sharp diffraction peak in the bulk liquid structure function.

  17. Structural and magnetic studies on spark plasma sintered SmCo{sub 5}/Fe bulk nanocomposite magnets

    Energy Technology Data Exchange (ETDEWEB)

    Rama Rao, N.V. [Defence Metallurgical Research Laboratory, Hyderabad 500 058 (India); Gopalan, R. [Defence Metallurgical Research Laboratory, Hyderabad 500 058 (India)]. E-mail: rg_gopy@yahoo.com; Manivel Raja, M. [Defence Metallurgical Research Laboratory, Hyderabad 500 058 (India); Chandrasekaran, V. [Defence Metallurgical Research Laboratory, Hyderabad 500 058 (India); Chakravarty, D. [International Advanced Research Centre for Powder Metallurgy and New Materials, Hyderabad 500 005 (India); Sundaresan, R. [International Advanced Research Centre for Powder Metallurgy and New Materials, Hyderabad 500 005 (India); Ranganathan, R. [Saha Institute of Nuclear Physics, Kolkata 700 064 (India); Hono, K. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba 305 0047 (Japan)

    2007-05-15

    SmCo{sub 5}+xwt% Fe (x=0, 5 and 10) nanocomposite powders were synthesized by mechanical milling and were consolidated into bulk shape by spark plasma sintering (SPS) technique. The evolution of structure and magnetic properties were systematically investigated in milled powders as well as in SPS samples. A maximum coercivity of 8.9kOe was achieved in spark plasma sintered SmCo{sub 5}+5wt% Fe sample. The exchange spring interaction between the hard and soft magnetic phases was evaluated using {delta}M-H measurements and the analysis revealed that the SPS sample containing 5wt% Fe had a stronger exchange coupling between the magnetic phases than that of the sample with10wt% Fe.

  18. 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)

  19. Magnetic characterisation of large grain, bulk Y–Ba–Cu–O superconductor–soft ferromagnetic alloy hybrid structures

    International Nuclear Information System (INIS)

    Philippe, M.P.; Fagnard, J.-F.; Kirsch, S.; Xu, Z.; Dennis, A.R.; Shi, Y.-H.; Cardwell, D.A.; Vanderheyden, B.; Vanderbemden, P.

    2014-01-01

    Highlights: • Large grain, bulk YBaCuO superconductor (SC) combined with ferromagnetic elements. • The flux lines curve outwards through the ferromagnet in the remanent state. • The trapped field in the SC is enhanced by the presence of the ferromagnet. • The effects of the SC and the ferromagnet add when the ferromagnet is saturated. - Abstract: Large grain, bulk Y–Ba–Cu–O (YBCO) high temperature superconductors (HTS) have significant potential for use in a variety of practical applications that incorporate powerful quasi-permanent magnets. In the present work, we investigate how the trapped field of such magnets can be improved by combining bulk YBCO with a soft FeNi, ferromagnetic alloy. This involves machining the alloy into components of various shapes, such as cylinders and rings, which are attached subsequently to the top surface of a solid, bulk HTS cylinder. The effect of these modifications on the magnetic hysteresis curve and trapped field of the bulk superconductor at 77 K are then studied using pick-up coil and Hall probe measurements. The experimental data are compared to finite element modelling of the magnetic flux distribution using Campbell’s algorithm. Initially we establish the validity of the technique involving pick-up coils wrapped around the bulk superconductor to obtain its magnetic hysteresis curve in a non-destructive way and highlight the difference between the measured signal and the true magnetization of the sample. We then consider the properties of hybrid ferromagnet/superconductor (F/S) structures. Hall probe measurements, together with the results of the model, establish that flux lines curve outwards through the ferromagnet, which acts, effectively, like a magnetic short circuit. Magnetic hysteresis curves show that the effects of the superconductor and the ferromagnet simply add when the ferromagnet is saturated fully by the applied field. The trapped field of the hybrid structure is always larger than that of the

  20. 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.

  1. 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.

  2. Total and non-seasalt sulfate and chloride measured in bulk precipitation samples from the Kilauea Volcano area, Hawaii

    Science.gov (United States)

    Scholl, M.A.; Ingebritsen, S.E.

    1995-01-01

    Six-month cumulative precipitation samples provide estimates of bulk deposition of sulfate and chloride for the southeast part of the Island of Hawaii during four time periods: August 1991 to February 1992, February 1992 to September 1992, March 1993 to September 1993, and September 1993 to February 1994. Total estimated bulk deposition rates for sulfate ranged from 0.12 to 24 grams per square meter per 180 days, and non-seasalt sulfate deposition ranged from 0.06 to 24 grams per square meter per 180 days. Patterns of non-seasalt sulfate deposition were generally related to prevailing wind directions and the proximity of the collection site to large sources of sulfur gases, namely Kilauea Volcano's summit and East Rift Zone eruption. Total chloride deposition from bulk precipitation samples ranged from 0.01 to 17 grams per square meter per 180 days. Chloride appeared to be predominantly from oceanic sources, as non- seasalt chloride deposition was near zero for most sites.

  3. Fiber Bragg grating based spatially resolved characterization of flux-pinning induced strain of rectangular-shaped bulk YBCO samples

    International Nuclear Information System (INIS)

    Latka, Ines; Habisreuther, Tobias; Litzkendorf, Doris

    2011-01-01

    Highlights: → Fiber Bragg gratings (FBG) act as strain sensors, also at cryogenic temperatures. → FBGs are not sensitive to magnetic fields. → Local, shape dependent magnetostriction was detected on rectangular samples. → Magnetostrictive effects of the top surface and in a gap between two samples are different. - Abstract: We report on measurements of the spatially resolved characterization of flux-pinning induced strain of rectangular-shaped bulk YBCO samples. The spatially resolved strain measurements are accomplished by the use 2 fiber Bragg grating arrays, which are with an included angle of 45 o fixed to the surface. In this paper first attempts to confirm the shape distortions caused by the flux-pinning induced strain as predicted in will be presented. Two sample setups, a single bulk and a 'mirror' arrangement, will be compared. This mirror setup represents a model configuration for a measurement inside the superconductor, where demagnetization effects can be neglected and the magnetic field merely has a z-component.

  4. Structure and physical properties of silicon clusters and of vacancy clusters in bulk silicon

    International Nuclear Information System (INIS)

    Sieck, A.

    2000-01-01

    In this thesis the growth-pattern of free silicon clusters and vacancy clusters in bulk silicon is investigated. The aim is to describe and to better understand the cluster to bulk transition. Silicon structures in between clusters and solids feature new interesting physical properties. The structure and physical properties of silicon clusters can be revealed by a combination of theory and experiment, only. Low-energy clusters are determined with different optimization techniques and a density-functional based tight-binding method. Additionally, infrared and Raman spectra, and polarizabilities calculated within self-consistent field density-functional theory are provided for the smaller clusters. For clusters with 25 to 35 atoms an analysis of the shape of the clusters and the related mobilities in a buffer gas is given. Finally, the clusters observed in low-temperature experiments are identified via the best match between calculated properties and experimental data. Silicon clusters with 10 to 15 atoms have a tricapped trigonal prism as a common subunit. Clusters with up to about 25 atoms follow a prolate growth-path. In the range from 24 to 30 atoms the geometry of the clusters undergoes a transition towards compact spherical structures. Low-energy clusters with up to 240 atoms feature a bonding pattern strikingly different from the tetrahedral bonding in the solid. It follows that structures with dimensions of several Angstroem have electrical and optical properties different from the solid. The calculated stabilities and positron-lifetimes of vacancy clusters in bulk silicon indicate the positron-lifetimes of about 435 ps detected in irradiated silicon to be related to clusters of 9 or 10 vacancies. The vacancies in these clusters form neighboring hexa-rings and, therefore, minimize the number of dangling bonds. (orig.)

  5. 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)

  6. Complex three-dimensional structures in Si{1 0 0} using wet bulk micromachining

    International Nuclear Information System (INIS)

    Pal, Prem; Sato, Kazuo

    2009-01-01

    Complex three-dimensional structures for microelectromechanical systems (MEMS) are fabricated in Si{1 0 0} wafers using wet bulk micromachining. The structures are divided into two categories: fixed and freestanding. The fabrication processes for both types utilize single wafers with sequentially deposited nitride and oxide layers, local oxidation of silicon (LOCOS) and two steps of wet anisotropic etching. The fixed structures contain perfectly sharp edges. Thermally deposited oxide is used as the material for the freestanding structures. Wet etching is performed in tetramethyl ammonium hydroxide (TMAH) with and without Triton X-100 (C 14 H 22 O(C 2 H 4 O) n , n = 9–10). For the fixed structures, both etching steps are performed either in 25 wt% TMAH + Triton or pure TMAH or both, depending upon the type of the structures. In the case of freestanding systems, TMAH + Triton is utilized first, followed by pure TMAH. The fabrication methods enable densely arrayed structures, allowing the manufacture of corrugated diaphragms, compact size liquid (or gas) flow delivery systems, newly shaped mold for soft MEMS structures (e.g. PDMS (polydimethylsiloxane)) and other applications. The present research is an approach to fabricate advanced MEMS structures, extending the range of 3D structures fabricated by silicon anisotropic etching

  7. Electrical and structural characterization of as-grown and annealed hydrothermal bulk ZnO

    International Nuclear Information System (INIS)

    Kassier, G. H.; Hayes, M.; Auret, F. D.; Mamor, M.; Bouziane, K.

    2007-01-01

    Hall effect measurements in the range 20-370 K on as-grown and annealed hydrothermal bulk ZnO have been performed. The bulk conductivity in the highly resistive as-grown sample was found to decrease and then increase after annealing at 550 deg. C and 930 deg. C, respectively. The conduction in the as-grown material is attributed to a deep donor which is replaced by a much shallower donor after annealing at 930 deg. C. Annealing at both temperatures also produced strong surface conduction effects. Nondegenerate low-mobility surface conduction dominated the electrical properties of the sample annealed at 550 deg. C, while a degenerate surface channel was formed after annealing at 930 deg. C. In addition, Rutherford backscattering and channeling spectrometry (RBS/C) was used to assess the effect of annealing on the crystalline quality of the samples. RBS/C measurements reveal that annealing at 930 deg. C leads to significant improvement of the crystalline quality of the material, while annealing at 550 deg. C results in the segregation of a nonchanneling impurity at the surface

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

    DEFF Research Database (Denmark)

    Grivel, J.-C.

    2018-01-01

    MgB2 bulk samples with potassium carbonate doping were made by means of reaction of elemental Mg and B powders mixed with various amounts of K2CO3. The Tc of the superconducting phase as well as its a-axis parameter were decreased as a result of carbon doping. Potassium escaped the samples during...... 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...

  9. Main Parameters Characterization of Bulk CMOS Cross-Like Hall Structures

    Directory of Open Access Journals (Sweden)

    Maria-Alexandra Paun

    2016-01-01

    Full Text Available A detailed analysis of the cross-like Hall cells integrated in regular bulk CMOS technological process is performed. To this purpose their main parameters have been evaluated. A three-dimensional physical model was employed in order to evaluate the structures. On this occasion, numerical information on the input resistance, Hall voltage, conduction current, and electrical potential distribution has been obtained. Experimental results for the absolute sensitivity, offset, and offset temperature drift have also been provided. A quadratic behavior of the residual offset with the temperature was obtained and the temperature points leading to the minimum offset for the three Hall cells were identified.

  10. Controlled Bulk Properties of Composite Polymeric Solutions for Extensive Structural Order of Honeycomb Polysulfone Membranes.

    Science.gov (United States)

    Gugliuzza, Annarosa; Perrotta, Maria Luisa; Drioli, Enrico

    2016-05-16

    This work provides additional insights into the identification of operating conditions necessary to overcome a current limitation to the scale-up of the breath figure method, which is regarded as an outstanding manufacturing approach for structurally ordered porous films. The major restriction concerns, indeed, uncontrolled touching droplets at the boundary. Herein, the bulk of polymeric solutions are properly managed to generate honeycomb membranes with a long-range structurally ordered texture. Water uptake and dynamics are explored as chemical environments are changed with the intent to modify the hydrophilic/hydrophobic balance and local water floatation. In this context, a model surfactant such as the polyoxyethylene sorbitan monolaurate is used in combination with alcohols at different chain length extents and a traditional polymer such as the polyethersufone. Changes in the interfacial tension and kinematic viscosity taking place in the bulk of composite solutions are explored and examined in relation to competitive droplet nucleation and growth rate. As a result, extensive structurally ordered honeycomb textures are obtained with the rising content of the surfactant while a broad range of well-sized pores is targeted as a function of the hydrophilic-hydrophobic balance and viscosity of the composite polymeric mixture. The experimental findings confirm the consistency of the approach and are expected to give propulsion to the commercially production of breath figures films shortly.

  11. Controlled Bulk Properties of Composite Polymeric Solutions for Extensive Structural Order of Honeycomb Polysulfone Membranes

    Directory of Open Access Journals (Sweden)

    Annarosa Gugliuzza

    2016-05-01

    Full Text Available This work provides additional insights into the identification of operating conditions necessary to overcome a current limitation to the scale-up of the breath figure method, which is regarded as an outstanding manufacturing approach for structurally ordered porous films. The major restriction concerns, indeed, uncontrolled touching droplets at the boundary. Herein, the bulk of polymeric solutions are properly managed to generate honeycomb membranes with a long-range structurally ordered texture. Water uptake and dynamics are explored as chemical environments are changed with the intent to modify the hydrophilic/hydrophobic balance and local water floatation. In this context, a model surfactant such as the polyoxyethylene sorbitan monolaurate is used in combination with alcohols at different chain length extents and a traditional polymer such as the polyethersufone. Changes in the interfacial tension and kinematic viscosity taking place in the bulk of composite solutions are explored and examined in relation to competitive droplet nucleation and growth rate. As a result, extensive structurally ordered honeycomb textures are obtained with the rising content of the surfactant while a broad range of well-sized pores is targeted as a function of the hydrophilic-hydrophobic balance and viscosity of the composite polymeric mixture. The experimental findings confirm the consistency of the approach and are expected to give propulsion to the commercially production of breath figures films shortly.

  12. Structure and properties of bulk amorphous magnetically soft coatings prepared by plasma spraying

    International Nuclear Information System (INIS)

    Kalita, V.I.; Kekalo, I.B.; Komlev, D.I.; Taranichev, V.E.

    1995-01-01

    Co-Ni-Fe-Si-B composition plasma coatings consisting of amorphous disk-shaped particles forming the bulk of a coating, of crystalline particles and of a threshold space, were studied. Iron and metalloid distribution heterogeneous by the thickness represents a peculiar feature for coating amorphous particles. Structure of coatings and their magnetic properties depend on some technological parameters. Conclusion is made that at annealing the variation of magnetic properties is determined by the processes of directed ordering and stratification of amorphous phase, while the low level of the initial magnetic properties of coatings is caused alongside with structure peculiarities, by occurrence of independent fine-dispersive domain structure in each disk-shaped amorphous phase. 14 refs., 8 figs., 6 tabs

  13. Studies on thermal neutron perturbation factor needed for bulk sample activation analysis

    CERN Document Server

    Csikai, J; Sanami, T; Michikawa, T

    2002-01-01

    The spatial distribution of thermal neutrons produced by an Am-Be source in a graphite pile was measured via the activation foil method. The results obtained agree well with calculated data using the MCNP-4B code. A previous method used for the determination of the average neutron flux within thin absorbing samples has been improved and extended for a graphite moderator. A procedure developed for the determination of the flux perturbation factor renders the thermal neutron activation analysis of bulky samples of unknown composition possible both in hydrogenous and graphite moderators.

  14. Analysis of a Lennard-Jones fcc structure melting to the corresponding frozen liquid: Differences between the bulk and the surface

    International Nuclear Information System (INIS)

    Olivi-Tran, N.; Faivre, A.

    2009-01-01

    We computed a Lennard-Jones frozen liquid with a free surface using classical molecular dynamics. The structure factor curves on the free surface of this sample were calculated for different depths knowing that we have periodic boundary conditions on the other parts of the sample. The resulting structure factor curves show an horizontal shift of their first peak depending on how deep in the sample the curves are computed. We analyze our resulting curves in the light of spatial correlation functions during melting. The conclusion is that the differences between bulk and surface are quite small during melting and that at the end of melting, only the very surface happens to be less dense than the bulk. This result is intrinsic to the shape of the Lennard-Jones potential and does not depend on any other parameter.

  15. 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

  16. 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.

  17. 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

  18. Effect of sample geometry on bulk relative density of hot-mix asphalt mixes

    CSIR Research Space (South Africa)

    Anochie-Boateng, Joseph

    2011-09-01

    Full Text Available with different number of cut/cored surfaces. Significant variations in voids were observed in the HMA core and beam samples from the same compacted slabs. The objective of this paper is to present the findings of the effect of specimen geometry and cut surfaces...

  19. 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

  20. Formation, structure, and evolution of boiling nucleus and interfacial tension between bulk liquid phase and nucleus

    Science.gov (United States)

    Wang, Xiao-Dong; Peng, Xiao-Feng; Tian, Yong; Wang, Bu-Xuan

    2005-05-01

    In this paper, the concept of the molecular free path is introduced to derive a criterion distinguishing active molecules from inactive molecules in liquid phase. A concept of the critical aggregation concentration (CAC) of active molecules is proposed to describe the physical configuration before the formation of a nucleus during vapor-liquid phase transition. All active molecules exist as monomers when the concentration of active molecules is lower than CAC, while the active molecules will generate aggregation once the concentration of the active molecules reaches CAC. However, these aggregates with aggregation number, N, smaller than five can steadily exist in bulk phase. The other excess active molecules can only produce infinite aggregation and form a critical nucleus of vapor-liquid phase transition. Without any outer perturbation the state point of CAC corresponds to the critical superheated or supercooled state. Meanwhile, a model of two-region structure of a nucleus is proposed to describe nucleus evolution. The interfacial tension between bulk liquid phase and nucleus is dependent of the density gradient in the transition region and varies with the structure change of the transition region. With the interfacial tension calculated using this model, the predicted nucleation rate is very close to the experimental measurement. Furthermore, this model and associated analysis provides solid theoretical evidences to clarify the definition of nucleation rate and understand nucleation phenomenon with the insight into the physical nature.

  1. Bulk-surface relationship of an electronic structure for high-throughput screening of metal oxide catalysts

    International Nuclear Information System (INIS)

    Kweun, Joshua Minwoo; Li, Chenzhe; Zheng, Yongping; Cho, Maenghyo; Kim, Yoon Young; Cho, Kyeongjae

    2016-01-01

    Graphical abstract: - Highlights: • Bulk-surface relationship was predicted by the ligand field nature of metal oxides. • Antibonding and bonding d-bands occupancy clarified the bulk-surface relationship. • Different surface relaxations were explained by the bulk electronic structures. • Transition from the bulk to the surface state was simulated by oxygen adsorption. - Abstract: Designing metal-oxides consisting of earth-abundant elements has been a crucial issue to replace precious metal catalysts. To achieve efficient screening of metal-oxide catalysts via bulk descriptors rather than surface descriptors, we investigated the relationship between the electronic structure of bulk and that of the surface for lanthanum-based perovskite oxides, LaMO_3 (M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu). Through density functional theory calculations, we examined the d-band occupancy of the bulk and surface transition-metal atoms (n_B_u_l_k and n_S_u_r_f) and the adsorption energy of an oxygen atom (E_a_d_s) on (001), (110), and (111) surfaces. For the (001) surface, we observed strong correlation between the n_B_u_l_k and n_S_u_r_f with an R-squared value over 94%, and the result was interpreted in terms of ligand field splitting and antibonding/bonding level splitting. Moreover, the E_a_d_s on the surfaces was highly correlated with the n_B_u_l_k with an R-squared value of more than 94%, and different surface relaxations could be explained by the bulk electronic structure (e.g., LaMnO_3 vs. LaTiO_3). These results suggest that a bulk-derived descriptor such as n_B_u_l_k can be used to screen metal-oxide catalysts.

  2. On SYM theory and all order bulk singularity structures of BPS strings in type II theory

    Science.gov (United States)

    Hatefi, Ehsan

    2018-06-01

    The complete forms of the S-matrix elements of a transverse scalar field, two world volume gauge fields, and a Potential Cn-1 Ramond-Ramond (RR) form field are investigated. In order to find an infinite number of t , s , (t + s + u)-channel bulk singularity structures of this particular mixed open-closed amplitude, we employ all the conformal field theory techniques to , exploring all the entire correlation functions and all order α‧ contact interactions to these supersymmetric Yang-Mills (SYM) couplings. Singularity and contact term comparisons with the other symmetric analysis, and are also carried out in detail. Various couplings from pull-Back of branes, Myers terms and several generalized Bianchi identities should be taken into account to be able to reconstruct all order α‧ bulk singularities of type IIB (IIA) superstring theory. Finally, we make a comment on how to derive without any ambiguity all order α‧ contact terms of this S-matrix which carry momentum of RR in transverse directions.

  3. 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.

  4. Bioactivity and structural properties of nanostructured bulk composites containing Nb2O5 and natural hydroxyapatite

    Science.gov (United States)

    Bonadio, T. G. M.; Sato, F.; Medina, A. N.; Weinand, W. R.; Baesso, M. L.; Lima, W. M.

    2013-06-01

    In this work, we investigate the bioactivity and structural properties of nanostructured bulk composites that are composed of Nb2O5 and natural hydroxyapatite (HAp) and are produced by mechanical alloying and powder metallurgy. X-ray diffraction and Raman spectroscopy data showed that the milling process followed by a heat treatment at 1000 °C induced chemical reactions along with the formation of the CaNb2O6, PNb9O25 and Ca3(PO4)2 phases. Rietveld refinement indicated significant changes in each phase weight fraction as a function of HAp concentration. These changes influenced the in vitro bioactivity of the material. XRD and FTIR analyses indicated that the composites exhibited bioactivity characteristics by forming a carbonated apatite layer when the composites were immersed in a simulated body fluid. The formed layers had a maximum thickness of 13 μm, as measured by confocal Raman spectroscopy and as confirmed by scanning electron microscopy. The results of this work suggest that the tested bulk composites are promising biomaterials for use in implants.

  5. 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

  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

    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 materials. Focusing broadband optics have been developed...... experimental evidence that a longitudinal resolution down to 10 mum can be obtained. Fundamental materials properties such as the strain/stress state, grain-orientation, -size, and -surface topology can be probed and mapped in three dimensions in favorable cases. Imbedded volumes and interfaces become...... accessible. The technique is nondestructive and allows for in situ studies of samples in complicated environments. A dedicated experimental station has been constructed at the ID11 beamline of the European Synchrotron Radiation Facility. On-line two-dimensional detectors and conical slits have been developed...

  7. 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

  8. AlGaN/GaN HEMT structures on ammono bulk GaN substrate

    International Nuclear Information System (INIS)

    Kruszewski, P; Prystawko, P; Krysko, M; Smalc-Koziorowska, J; Leszczynski, M; Kasalynas, I; Nowakowska-Siwinska, A; Plesiewicz, J; Dwilinski, R; Zajac, M; Kucharski, R

    2014-01-01

    The work shows a successful fabrication of AlGaN/GaN high electron mobility transistor (HEMT) structures on the bulk GaN substrate grown by ammonothermal method providing an ultralow dislocation density of 10 4  cm −2  and wafers of size up to 2 inches in diameter. The AlGaN layers grown by metalorganic chemical vapor phase epitaxy method demonstrate atomically smooth surface, flat interfaces with reproduced low dislocation density as in the substrate. The test electronic devices—Schottky diodes and transistors—were designed without surface passivation and were successfully fabricated using mask-less laser-based photolithography procedures. The Schottky barrier devices demonstrate exceptionally low reverse currents smaller by a few orders of magnitude in comparison to the Schottky diodes made of AlGaN/GaN HEMT on sapphire substrate. (paper)

  9. 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.

  10. Small molecule solution-processed bulk heterojunction solar cells with inverted structure using porphyrin donor

    Science.gov (United States)

    Yamamoto, Takaki; Hatano, Junichi; Nakagawa, Takafumi; Yamaguchi, Shigeru; Matsuo, Yutaka

    2013-01-01

    Utilizing tetraethynyl porphyrin derivative (TE-Por) as a small molecule donor material, we fabricated a small molecule solution-processed bulk heterojunction (BHJ) solar cell with inverted structure, which exhibited 1.6% power conversion efficiency (JSC (short-circuit current) = 4.6 mA/cm2, VOC (open-circuit voltage) = 0.90 V, and FF (fill factor) = 0.39) in the device configuration indium tin oxide/TiOx (titanium sub-oxide)/[6,6]-phenyl-C61-butyric acid methyl ester:TE-Por (5:1)/MoOx (molybdenum sub-oxide)/Au under AM1.5 G illumination at 100 mW/cm2. Without encapsulation, the small molecule solution-processed inverted BHJ solar cell also showed remarkable durability to air, where it kept over 73% of its initial power conversion efficiency after storage for 28 days under ambient atmosphere in the dark.

  11. 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.

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

    KAUST Repository

    Aboulhassan, A.; Sicat, R.; Baum, D.; Wodo, O.; Hadwiger, Markus

    2017-01-01

    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.

  13. Atomic structure and formation of CuZrAl bulk metallic glasses and composites

    International Nuclear Information System (INIS)

    Kaban, I.; Jóvári, P.; Escher, B.; Tran, D.T.; Svensson, G.; Webb, M.A.; Regier, T.Z.; Kokotin, V.; Beuneu, B.; Gemming, T.; Eckert, J.

    2015-01-01

    Graphical abstract: Partial radial distribution functions for Cu 47.5 Zr 47.5 Al 5 metallic glass and relevant crystal structures. - Abstract: Cu 47.5 Zr 47.5 Al 5 metallic glass is studied experimentally by high-energy X-ray diffraction, neutron diffraction with isotopic substitution, electron diffraction and X-ray absorption spectroscopy. The atomic structure of the glass is modeled by reverse Monte-Carlo and molecular dynamics simulations. RMC modeling of seven experimental datasets enabled reliable separation of all partial pair distribution functions for Cu 47.5 Zr 47.5 Al 5 metallic glass. A peculiar structural feature of the ternary alloy is formation of the strong Al–Zr bonds, which are supposed to determine its high viscosity and enhanced bulk glass formation. Analysis of the local atomic order in Cu 47.5 Zr 47.5 Al 5 glass and Cu 10 Zr 7 , CuZr 2 and CuZr B2 crystalline structures elucidates their similarities and differences explaining the phase formation sequence by devitrification of the glass.

  14. 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}.

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

    Energy Technology Data Exchange (ETDEWEB)

    Knut, Ronny; Lindblad, Rebecka [Department of Physics and Astronomy, Uppsala University, SE-751 21 Uppsala (Sweden); Gorgoi, Mihaela [Helmholtz Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Str. 15, 12489 Berlin (Germany); Rensmo, Håkan [Department of Physics and Astronomy, Uppsala University, SE-751 21 Uppsala (Sweden); Karis, Olof, E-mail: olof.karis@physics.uu.se [Department of Physics and Astronomy, Uppsala University, SE-751 21 Uppsala (Sweden)

    2013-10-15

    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.

  16. 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

  17. Bessel beam CARS of axially structured samples

    Science.gov (United States)

    Heuke, Sandro; Zheng, Juanjuan; Akimov, Denis; Heintzmann, Rainer; Schmitt, Michael; Popp, Jürgen

    2015-06-01

    We report about a Bessel beam CARS approach for axial profiling of multi-layer structures. This study presents an experimental implementation for the generation of CARS by Bessel beam excitation using only passive optical elements. Furthermore, an analytical expression is provided describing the generated anti-Stokes field by a homogeneous sample. Based on the concept of coherent transfer functions, the underling resolving power of axially structured geometries is investigated. It is found that through the non-linearity of the CARS process in combination with the folded illumination geometry continuous phase-matching is achieved starting from homogeneous samples up to spatial sample frequencies at twice of the pumping electric field wave. The experimental and analytical findings are modeled by the implementation of the Debye Integral and scalar Green function approach. Finally, the goal of reconstructing an axially layered sample is demonstrated on the basis of the numerically simulated modulus and phase of the anti-Stokes far-field radiation pattern.

  18. [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

  19. 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)

  20. 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.

  1. 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

  2. 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.

  3. Irreversibility line and magnetic field dependence of the critical current in superconducting MgB sub 2 bulk samples

    CERN Document Server

    Gioacchino, D D; Tripodi, P; Grimaldi, G

    2003-01-01

    The third harmonic components of the ac susceptibility of MgB sub 2 bulk samples have been measured as a function of applied magnetic fields, together with standard magnetization cycles. The irreversibility line (IL) of the magnetic field has been extracted from the onset of the third harmonic components. Using a (1 - t) supalpha glass/liquid best fit where alpha 1.27 IL shows a coherent length xi divergence with exponent nu = 0.63, which indicates a 3D behaviour. Moreover, using the numerical solution of the non-linear magnetic diffusion equation, considering the creep model in a 3D vortex glass, a good description of the vortex dynamics has been obtained. The behaviour of the magnetization amplitude (approx Hz) and the ac susceptibility signals (kHz), at different applied magnetic fields, 3.5 T < H sub d sub c < 4.5 T, and at the reduced temperature 0.86 < t < 0.93 (T = 22 K), shows that the superconducting dynamic response of vortices in the MgB sub 2 samples is not evidently dependent on the f...

  4. Plasma treatment of bulk niobium surface for superconducting rf cavities: Optimization of the experimental conditions on flat samples

    Directory of Open Access Journals (Sweden)

    M. Rašković

    2010-11-01

    Full Text Available Accelerator performance, in particular the average accelerating field and the cavity quality factor, depends on the physical and chemical characteristics of the superconducting radio-frequency (SRF cavity surface. Plasma based surface modification provides an excellent opportunity to eliminate nonsuperconductive pollutants in the penetration depth region and to remove the mechanically damaged surface layer, which improves the surface roughness. Here we show that the plasma treatment of bulk niobium (Nb presents an alternative surface preparation method to the commonly used buffered chemical polishing and electropolishing methods. We have optimized the experimental conditions in the microwave glow discharge system and their influence on the Nb removal rate on flat samples. We have achieved an etching rate of 1.7  μm/min⁡ using only 3% chlorine in the reactive mixture. Combining a fast etching step with a moderate one, we have improved the surface roughness without exposing the sample surface to the environment. We intend to apply the optimized experimental conditions to the preparation of single cell cavities, pursuing the improvement of their rf performance.

  5. 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

  6. 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

  7. Surface and bulk electronic structures of unintentionally and Mg-doped In0.7Ga0.3N epilayer by hard X-ray photoelectron spectroscopy

    Science.gov (United States)

    Imura, Masataka; Tsuda, Shunsuke; Takeda, Hiroyuki; Nagata, Takahiro; Banal, Ryan G.; Yoshikawa, Hideki; Yang, AnLi; Yamashita, Yoshiyuki; Kobayashi, Keisuke; Koide, Yasuo; Yamaguchi, Tomohiro; Kaneko, Masamitsu; Uematsu, Nao; Wang, Ke; Araki, Tsutomu; Nanishi, Yasushi

    2018-03-01

    The surface and bulk electronic structures of In0.7Ga0.3N epilayers are investigated by angle-resolved hard X-ray photoelectron spectroscopy (HX-PES) combined with soft X-PES. The unintentionally and Mg-doped In0.7Ga0.3N (u-In0.7Ga0.3N and In0.7Ga0.3N:Mg, respectively) epilayers are grown by radio-frequency plasma-assisted molecular beam epitaxy. Here three samples with different Mg concentrations ([Mg] = 0, 7 × 1019, and 4 × 1020 cm-3) are chosen for comparison. It is found that a large downward energy band bending exists in all samples due to the formation of a surface electron accumulation (SEA) layer. For u-In0.7Ga0.3N epilayer, band bending as large as 0.8 ± 0.05 eV occurs from bulk to surface. Judged from the valence band spectral edge and numerical analysis of energy band with a surface quantum well, the valence band maximum (VBM) with respect to Fermi energy (EF) level in the bulk is determined to be 1.22 ± 0.05 eV. In contrast, for In0.7Ga0.3N:Mg epilayers, the band bending increases and the VBM only in the bulk tends to shift toward the EF level owing to the Mg acceptor doping. Hence, the energy band is considered to exhibit a downward bending structure due to the coexistence of the n+ SEA layer and Mg-doped p layer formed in the bulk. When [Mg] changes from 7 × 1019 to 4 × 1020 cm-3, the peak split occurs in HX-PES spectra under the bulk sensitive condition. This result indicates that the energy band forms an anomalous downward bending structure with a singular point due to the generation of a thin depleted region at the n+ p interface. For In0.7Ga0.3N:Mg epilayers, the VBM in the bulk is assumed to be slightly lower than EF level within 0.1 eV.

  8. 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.

  9. Effect of sample moisture and bulk density on performance of the 241Am-Be source based prompt gamma rays neutron activation analysis setup. A Monte Carlo study

    International Nuclear Information System (INIS)

    Almisned, Ghada

    2010-01-01

    Monte Carlo simulations were carried out using the dependence of gamma ray yield on the bulk density and moisture content for five different lengths of Portland cement samples in a thermal neutron capture based Prompt Gamma ray Neutron Activation Analysis (PGNAA) setup for source inside moderator geometry using an 241 Am-Be neutron source. In this study, yields of 1.94 and 6.42 MeV prompt gamma rays from calcium in the five Portland cement samples were calculated as a function of sample bulk density and moisture content. The study showed a strong dependence of the 1.94 and 6.42 MeV gamma ray yield upon the sample bulk density but a weaker dependence upon sample moisture content. For an order of magnitude increase in the sample bulk density, an order of magnitude increase in the gamma rays yield was observed, i.e., a one-to-one correspondence. In case of gamma ray yield dependence upon sample moisture content, an order of magnitude increase in the moisture content of the sample resulted in about 16-17% increase in the yield of 1.94 and 6.42 MeV gamma rays from calcium. (author)

  10. Identification of rhenium donors and sulfur vacancy acceptors in layered MoS{sub 2} bulk samples

    Energy Technology Data Exchange (ETDEWEB)

    Brandão, F. D., E-mail: fdbrand@fisica.ufmg.br; Ribeiro, G. M.; Vaz, P. H.; González, J. C.; Krambrock, K. [Departamento de Física, Universidade Federal de Minas Gerais, CP 702, 30.123-970 Belo Horizonte, MG (Brazil)

    2016-06-21

    MoS{sub 2} monolayers, a two-dimensional (2D) direct semiconductor material with an energy gap of 1.9 eV, offer many opportunities to be explored in different electronic devices. Defects often play dominant roles in the electronic and optical properties of semiconductor devices. However, little experimental information about intrinsic and extrinsic defects or impurities is available for this 2D system, and even for macroscopic 3D samples for which MoS{sub 2} shows an indirect bandgap of 1.3 eV. In this work, we evaluate the nature of impurities with unpaired spins using electron paramagnetic resonance (EPR) in different geological macroscopic samples. Regarding the fact that monolayers are mostly obtained from natural crystals, we expect that the majority of impurities found in macroscopic samples are also randomly present in MoS{sub 2} monolayers. By EPR at low temperatures, rhenium donors and sulfur vacancy acceptors are identified as the main impurities in bulk MoS{sub 2} with a corresponding donor concentration of about 10{sup 8–12} defects/cm{sup 2} for MoS{sub 2} monolayer. Electrical transport experiments as a function of temperature are in good agreement with the EPR results, revealing a shallow donor state with an ionization energy of 89 meV and a concentration of 7 × 10{sup 15 }cm{sup −3}, which we attribute to rhenium, as well as a second deeper donor state with ionization energy of 241 meV with high concentration of 2 × 10{sup 19 }cm{sup −3} and net acceptor concentration of 5 × 10{sup 18 }cm{sup −3} related to sulfur vacancies.

  11. 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

  12. Controlled assembly of high-order nanoarray metal structures on bulk copper surface by femtosecond laser pulses

    Science.gov (United States)

    Qin, Wanwan; Yang, Jianjun

    2017-07-01

    We report a new one-step maskless method to fabricate high-order nanoarray metal structures comprising periodic grooves and particle chains on a single-crystal Cu surface using femtosecond laser pulses at the central wavelength of 400 nm. Remarkably, when a circularly polarized infrared femtosecond laser pulse (spectrally centered at 800 nm) pre-irradiates the sample surface, the geometric dimensions of the composite structure can be well controlled. With increasing the energy fluence of the infrared laser pulse, both the groove width and particle diameter are observed to reduce, while the measured spacing-to-diameter ratio of the nanoparticles tends to present an increasing tendency. A physical scenario is proposed to elucidate the underlying mechanisms: as the infrared femtosecond laser pulse pre-irradiates the target, the copper surface is triggered to display anomalous transient physical properties, on which the subsequently incident Gaussian blue laser pulse is spatially modulated into fringe-like energy depositions via the excitation of ultrafast surface plasmon. During the following relaxation processes, the periodically heated thin-layer regions can be transferred into the metastable liquid rivulets and then they break up into nanodroplet arrays owing to the modified Rayleigh-like instability. This investigation indicates a simple integrated approach for active designing and large-scale assembly of complexed functional nanostructures on bulk materials.

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

    DEFF Research Database (Denmark)

    Jakobsen, Bo

    2006-01-01

    The main goal of the study presented in this thesis was to perform in-situ investigations on deformation structures in plastically deformed polycrystalline copper at low degrees of tensile deformation (model system for cell forming pure fcc metals. Anovel synchrotron...... grains in polycrystalline samples during tensile deformation. We have shown that the resulting 3D reciprocal space maps from tensile deformed copper comprise a pronounced structure, consisting of bright sharp peaks superimposed on a cloud of enhanced intensity. Based on the integrated intensity......, the width of the peaks, and spatial scanning experiments it is concluded that the individual peaks arise from individual dislocation-free regions (the subgrains) in the dislocation structure. The cloud is attributed to the dislocation rich walls. Samples deformed to 2% tensile strain were investigated under...

  14. Flexible structured high-frequency film bulk acoustic resonator for flexible wireless electronics

    International Nuclear Information System (INIS)

    Zhou, Changjian; Shu, Yi; Yang, Yi; Ren, Tian-Ling; Jin, Hao; Dong, Shu-Rong; Chan, Mansun

    2015-01-01

    Flexible electronics have inspired many novel and very important applications in recent years and various flexible electronic devices such as diodes, transistors, circuits, sensors, and radiofrequency (RF) passive devices including antennas and inductors have been reported. However, the lack of a high-performance RF resonator is one of the key bottlenecks to implement flexible wireless electronics. In this study, for the first time, a novel ultra-flexible structured film bulk acoustic resonator (FBAR) is proposed. The flexible FBAR is fabricated on a flexible polyimide substrate using piezoelectric thin film aluminum nitride (AlN) for acoustic wave excitation. Both the shear wave and longitudinal wave can be excited under the surface interdigital electrodes configuration we proposed. In the case of the thickness extension mode, a flexible resonator with a working frequency as high as of 5.2325 GHz has been realized. The resonators stay fully functional under bending status and after repeated bending and re-flattening operations. This flexible high-frequency resonator will serve as a key building block for the future flexible wireless electronics, greatly expanding the application scope of flexible electronics. (paper)

  15. 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.

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

    Science.gov (United States)

    Lee, Sun-Joo; Ren, Feifei; Zangerl-Plessl, Eva-Maria; Heyman, Sarah; Stary-Weinzinger, Anna; Yuan, Peng; Nichols, Colin G

    2016-09-01

    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 PIP2 sensitivity. Here we show that introduction of a lipid-partitioning tryptophan at the second site (K62W) generates high PIP2 sensitivity, 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 PIP2 site and explaining the positive allostery between PL(-) binding and PIP2 sensitivity. © 2016 Lee et al.

  17. 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.

  18. 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...

  19. 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

  20. 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.

  1. 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.

  2. 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.

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

    KAUST Repository

    Kramer, Illan J.; Zhitomirsky, David; Bass, John D.; Rice, Philip M.; Topuria, Teya; Krupp, Leslie; Thon, Susanna M.; Ip, Alexander H.; Debnath, Ratan; Kim, Ho-Cheol; Sargent, Edward H.

    2012-01-01

    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.

  4. 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.

  5. 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)

  6. Diagnostic performance of an indirect enzyme-linked immunosorbent assay (ELISA) to detect bovine leukemia virus antibodies in bulk-tank milk samples

    Science.gov (United States)

    Nekouei, Omid; Durocher, Jean; Keefe, Greg

    2016-01-01

    This study assessed the diagnostic performance of a commercial ELISA for detecting bovine leukemia virus antibodies in bulk-tank milk samples from eastern Canada. Sensitivity and specificity of the test were estimated at 97.2% and 100%, respectively. The test was recommended as a cost-efficient tool for large-scale screening programs. PMID:27429469

  7. Silicene-terminated surface of calcium and strontium disilicides: properties and comparison with bulk structures by computational methods

    Science.gov (United States)

    Brázda, Petr; Mutombo, Pingo; Ondráček, Martin; Corrêa, Cinthia Antunes; Kopeček, Jaromír; Palatinus, Lukáš

    2018-05-01

    The bulk and surface structures of calcium and strontium disilicides are investigated by computational methods using density functional theory. The investigated structures are R6, R3 and P1-CaSi2 and P1-SrSi2. The investigated properties are the cleavage energy at the silicene sheet, buckling of the bulk and surface silicene layers, charge transfer from calcium to silicon, band structure of bulk and surface-terminated structures and adsorption energies on H atoms and H2 molecules on the silicene-terminated surface of the R3 phase. The cleavage energy at the silicene surface is low in all cases. Structures P1-CaSi2 and R3-CaSi2 contain silicene sheets with different coordination to Ca, while R6-CaSi2 contains both types of the sheets. It is shown that the properties of the two types of silicene-like sheets in R6-CaSi2 are similar to those of the corresponding sheets in P1-CaSi2 and R3-CaSi2, and the thermodynamically stable R6 phase is a good candidate for experimental investigation of silicene-terminated surface in calcium disilicide.

  8. 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.

  9. 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

  10. Monte Carlo calculations and neutron spectrometry in quantitative prompt gamma neutron activation analysis (PGNAA) of bulk samples using an isotopic neutron source

    International Nuclear Information System (INIS)

    Spyrou, N.M.; Awotwi-Pratt, J.B.; Williams, A.M.

    2004-01-01

    An activation analysis facility based on an isotopic neutron source (185 GBq 241 Am/Be) which can perform both prompt and cyclic activation analysis on bulk samples, has been used for more than 20 years in many applications including 'in vivo' activation analysis and the determination of the composition of bio-environmental samples, such as, landfill waste and coal. Although the comparator method is often employed, because of the variety in shape, size and elemental composition of these bulk samples, it is often difficult and time consuming to construct appropriate comparator samples for reference. One of the obvious problems is the distribution and energy of the neutron flux in these bulk and comparator samples. In recent years, it was attempted to adopt the absolute method based on a monostandard and to make calculations using a Monte Carlo code (MCNP4C2) to explore this further. In particular, a model of the irradiation facility has been made using the MCNP4C2 code in order to investigate the factors contributing to the quantitative determination of the elemental concentrations through prompt gamma neutron activation analysis (PGNAA) and most importantly, to estimate how the neutron energy spectrum and neutron dose vary with penetration depth into the sample. This simulation is compared against the scattered and transmitted neutron energy spectra that are experimentally and empirically determined using a portable neutron spectrometry system. (author)

  11. 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)

  12. 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.)

  13. 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)

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

    NARCIS (Netherlands)

    Rea, K. E.; Viswanathan, V.; Kruize, A.; De Hosson, J. Th. M.; O'Dell, S.; McKechnie, T.; Rajagopalan, S.; Vaidyanathan, R.; Seal, S.; O’Dell, 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 then no-mechanical components. Spray drying of powder feedstock appears to have a significant effect on

  15. 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.)

  16. 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)

  17. Structure-related bulk losses in ZrO sub 2 optical thin films

    Energy Technology Data Exchange (ETDEWEB)

    Duparre, A; Welsch, E; Walther, H G [Sektion Physik, Friedrich-Schiller-Univ. Jena (German Democratic Republic); Kaiser, N; Mueller, H [Physikalisch-Technisches Inst. der Akademie der Wissenschaften der DDR, Jena (German Democratic Republic); Hacker, E; Lauth, H; Meyer, J; Weissbrodt, P [Kombinat VEB Carl Zeiss, Jena (German Democratic Republic)

    1990-06-01

    Results of measurements of bulk scattering as well as absorption losses of evaporated ZrO{sub 2} single-layer films are presented. A special layer design was used to eliminate the losses originating from the film interfaces. The scattering and absorption measurements are performed at {lambda}=515 nm by means of total integrated scattering and photoacoustic techniques, respectively. Transmission electron micrographs of C-Pt replicas of cross-sections and electron diffraction studies reveal the correlations between bulk losses and morphology. The compositional depth profiles of the films were investigated by secondary neutral mass spectrometry. The observed absorption can be explained by contaminations homogeneously distributed throughout the film thicknss. The results are discussed with respect to different deposition conditions and post-deposition annealing. (orig.).

  18. Structural peculiarities and point defects of bulk-ZnO single crystals

    International Nuclear Information System (INIS)

    Kaurova, I.A.; Kuz’micheva, G.M.; Rybakov, V.B.; Cousson, A.; Gayvoronsky, V.Ya.

    2014-01-01

    Highlights: • ZnO single crystals of different color were grown by the hydrothermal method. • Point defects in ZnO have been firstly investigated by neutron diffraction. • Presence of additional reflections caused by kinetic growth effects was revealed. • The relationship between the color and zinc and oxygen vacancies was found. • Photoinduced variation of transmittance versus the CW laser intensity was analyzed. - Abstract: ZnO single crystals are related to promising direct wide band gap semiconductor materials belonging to the A II B VI type of compounds with wurtzite structure. “Unintentional” n-type conductivity in ZnO may be caused by zinc and oxygen vacancies, and interstitial zinc atoms. To date, the comprehensive structural investigation and analysis of point defects in ZnO is absent in literature. Green, light green and almost colorless ZnO single crystals grown by the hydrothermal method in concentrated alkali solutions 4M(KOH) + 1M(LiOH) + 0.1M(NH 4 OH) on monohedral seeds [0 0 0 1] at crystallization temperatures in the range of 330–350 °C and pressures in the range of 30–50 MPa have been firstly investigated by neutron diffraction. It was revealed the presence of additional reflections (∼12–∼16%) for all the crystals caused by kinetic growth effects that give grounds to assign them to the space group P3 rather than to P6 3 mc. Analysis of the refined compositions together with the color of ZnO crystals does not rule out the relationship between the color and vacancies in the zinc and oxygen positions whose concentration decreases with the discoloration of the samples. The analysis of the photoinduced variation of the total and on-axis transmittance versus the CW laser intensity showed that the colored samples have profound deep defects related to oxygen vacancies

  19. 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.)

  20. 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

  1. Critical current density in MgB2 bulk samples after co-doping with nano-SiC and poly zinc acrylate complexes

    International Nuclear Information System (INIS)

    Zhang, Z.; Suo, H.; Ma, L.; Zhang, T.; Liu, M.; Zhou, M.

    2011-01-01

    SiC and poly zinc acrylate complexes co-doped MgB 2 bulk has been synthesized. Co-doping can cause higher carbon substitutions and the second phase particles. Co-doping can further increase the Jc value of MgB 2 bulk on the base of the SiC doping. The co-doped MgB 2 bulk samples have been synthesized using an in situ reaction processing. The additives is 8 wt.% SiC nano powders and 10 wt.% [(CH 2 CHCOO) 2 Zn] n poly zinc acrylate complexes (PZA). A systematic study was performed on samples doped with SiC or PZA and samples co-doped with both of them. The effects of doping and co-doping on phase formation, microstructure, and the variation of lattice parameters were studied. The amount of substituted carbon, the critical temperature (T c ) and the critical current density (J c ) were determined. The calculated lattice parameters show the decrease of the a-axis, while no obvious change was detected for c-axis parameter in co-doped samples. This indicates that the carbon was substituted by boron in MgB 2 . The amount of substituted carbon for the co-doped sample shows an enhancement compared to that of the both single doped samples. The co-doped samples perform the highest J c values, which reaches 3.3 x 10 4 A/cm 2 at 5 K and 7 T. It is shown that co-doping with SiC and organic compound is an effective way to further improve the superconducting properties of MgB 2 .

  2. New proposal of mechanical reinforcement structures to annular REBaCuO bulk magnet for compact and cryogen-free NMR spectrometer

    Science.gov (United States)

    Fujishiro, H.; Takahashi, K.; Naito, T.; Yanagi, Y.; Itoh, Y.; Nakamura, T.

    2018-07-01

    We have proposed new reinforcement structures using an aluminum alloy ring to the annular REBaCuO bulks applicable to compact and cryogen-free 400 MHz (9.4 T) nuclear magnetic resonance (NMR) spectrometer using a numerical simulation of mechanical stress. The thermal compressive stress, σθcool, which was applied to the annular bulks during cooling due to the difference of thermal expansion coefficient between bulk and aluminum alloy, became fairly enhanced at the surface of the uppermost bulk for the new reinforcement structures, compared to the conventional reinforcement with the same height as the annular bulk, in which the compressive σθcool value was reduced. During field-cooled magnetization (FCM), the electromagnetic hoop stress, σθFCM, became the maximum at the innermost edge of the uppermost ring bulk at intermediate time step. The actual total hoop stress, σθ (= σθcool + σθFCM), due to both cooling and FCM processes was also analyzed and the new ring structures are fairly effective to reduce the σθ value and became lower than the fracture strength of the bulk. The new reinforcement structures have a possibility to avoid the fracture of the bulks and to realize a 400 MHz NMR spectrometer.

  3. 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...

  4. Structural comparison between La{sub 0.60}Y{sub 0.07}Ca{sub 0.33}MnO{sub 3-{delta}} bulk and pulsed laser deposited thin films

    Energy Technology Data Exchange (ETDEWEB)

    Teodorescu, V.S. E-mail: teoval@alpha1.infim.ro; Nistor, L.C.; Valeanu, M.; Ghica, C.; Sandu, C.; Mihailescu, I.N.; Ristoscu, C.; Deville, J.P.; Werckmann, J

    2000-03-01

    This work is a comparative study of the structural and magneto-transport properties of La{sub 0.60}Y{sub 0.07}Ca{sub 0.33}MnO{sub 3-{delta}} (LYCMO) as bulk and thin film. The bulk samples were prepared by solid-state reaction between the corresponding metallic oxides mixed in stoichiometric ratios. The thin film was deposited by pulsed laser deposition on an MgO single crystal using an excimer laser. We show that the structure and stoichiometry of the bulk target are perfectly reproduced in the thin film. We measured the magnetoresistive effect on both the LYCMO pellet and the thin film by using the four-probe technique. The maximum of the MR effect is 680% on the polycrystalline thin film in a 2 T magnetic field.

  5. 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.

  6. Development and structural characterization of exchange-spring-like nanomagnets in (Fe,Co)-Pt bulk nanocrystalline alloys

    Energy Technology Data Exchange (ETDEWEB)

    Crisan, O.; Crisan, A.D.; Mercioniu, I. [National Institute for Materials Physics, P.O. Box MG-7, 077125 Magurele, Bucharest (Romania); Nicula, R. [Empa, Swiss Federal Laboratories for Materials Science and Technology, Advanced Materials Processing, Feuerwerkerstr. 39, CH-3602 Thun (Switzerland); Vasiliu, F., E-mail: fvasiliu@infim.ro [National Institute for Materials Physics, P.O. Box MG-7, 077125 Magurele, Bucharest (Romania)

    2016-03-01

    FePt-based alloys are currently under scrutiny for their possible use as materials for perpendicular magnetic recording. Another possible application is in the field of permanent magnets without rare-earths, magnets that may operate at higher temperatures than the classic Nd–Fe–B magnets. Within this study, FeCoPt alloys prepared by rapid solidification from the melt are structurally and magnetically characterized. In the as-cast FeCoPt ribbons, a three-phase structure comprising well-ordered CoFePt and CoPt L1{sub 0} phases embedded in a disordered fcc FePt matrix was evidenced by XRD, HREM and SAED. Extended transmission electron microscopy analysis demonstrates the incipient formation of ordered L1{sub 0} phases. X-ray diffraction was used to characterize the phase structure and to obtain the structural parameters of interest for L1{sub 0} ordering. In the as-cast state, the co-existence of hard magnetic CoFePt and CoPt L1{sub 0} tetragonal phases with the soft fcc FePt phase is obtained within a refined microstructure made of alternatively disposed grains (grain sizes from 1 to 7 nm). Following a thermal treatment of 1 h at 670 °C, the soft magnetic fcc matrix phase transforms to tetragonal L1{sub 0} phases (disorder–order transition). The resulting CoPt and CoFePt L1{sub 0} phases have grains of around 5–20 nm in size. In the as-cast state, magnetic measurements show a quite large remanence (0.75 T), close to the value of the parent L1{sub 0} FePt phase. Coercive fields of about 200 kA/m at 5 K were obtained, comparable with those reported for some FePt-based bulk alloys. Upon annealing both remanence and coercivity are increased and values of up to 254 kA/m at 300 K are obtained. The polycrystalline structure of the annealed FeCoPt samples, as well as the formation of multiple c-axis domains in different CoPt and CoFePt regions (which leads to a reduction of the magneto-crystalline anisotropy) may account for the observed coercive fields that are

  7. Influence of the side chain and substrate on polythiophene thin film surface, bulk, and buried interfacial structures.

    Science.gov (United States)

    Xiao, Minyu; Jasensky, Joshua; Zhang, Xiaoxian; Li, Yaoxin; Pichan, Cayla; Lu, Xiaolin; Chen, Zhan

    2016-08-10

    The molecular structures of organic semiconducting thin films mediate the performance of various devices composed of such materials. To fully understand how the structures of organic semiconductors alter on substrates due to different polymer side chains and different interfacial interactions, thin films of two kinds of polythiophene derivatives with different side-chains, poly(3-hexylthiophene) (P3HT) and poly(3-potassium-6-hexanoate thiophene) (P3KHT), were deposited and compared on various surfaces. A combination of analytical tools was applied in this research: contact angle goniometry and X-ray photoelectron spectroscopy (XPS) were used to characterize substrate dielectric surfaces with varied hydrophobicity for polymer film deposition; X-ray diffraction and UV-vis spectroscopy were used to examine the polythiophene film bulk structure; sum frequency generation (SFG) vibrational spectroscopy was utilized to probe the molecular structures of polymer film surfaces in air and buried solid/solid interfaces. Both side-chain hydrophobicity and substrate hydrophobicity were found to mediate the crystallinity of the polythiophene film, as well as the orientation of the thiophene ring within the polymer backbone at the buried polymer/substrate interface and the polymer thin film surface in air. For the same type of polythiophene film deposited on different substrates, a more hydrophobic substrate surface induced thiophene ring alignment with the surface normal at both the buried interface and on the surface in air. For different films (P3HT vs. P3KHT) deposited on the same dielectric substrate, a more hydrophobic polythiophene side chain caused the thiophene ring to align more towards the surface at the buried polymer/substrate interface and on the surface in air. We believe that the polythiophene surface, bulk, and buried interfacial molecular structures all influence the hole mobility within the polythiophene film. Successful characterization of an organic conducting

  8. 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.

  9. Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles

    Science.gov (United States)

    Timerkaeva, Dilyara; Attaccalite, Claudio; Brenet, Gilles; Caliste, Damien; Pochet, Pascal

    2018-04-01

    The structure of the CiCs complex in silicon has long been the subject of debate. Numerous theoretical and experimental studies have attempted to shed light on the properties of these defects that are at the origin of the light emitting G-center. These defects are relevant for applications in lasing, and it would be advantageous to control their formation and concentration in bulk silicon. It is therefore essential to understand their structural and electronic properties. In this paper, we present the structural, electronic, and optical properties of four possible configurations of the CiCs complex in bulk silicon, namely, the A-, B-, C-, and D-forms. The configurations were studied by density functional theory and many-body perturbation theory. Our results suggest that the C-form was misinterpreted as a B-form in some experiments. Our optical investigation also tends to exclude any contribution of A- and B-forms to light emission. Taken together, our results suggest that the C-form could play an important role in heavily carbon-doped silicon.

  10. An ab initio study of the structure and dynamics of bulk liquid Cd and its liquid-vapor interface

    International Nuclear Information System (INIS)

    Calderín, L; González, L E; González, D J

    2013-01-01

    Several static and dynamic properties of bulk liquid Cd at a thermodynamic state near its triple point have been calculated by means of ab initio molecular dynamics simulations. The calculated static structure shows a very good agreement with the available experimental data. The dynamical structure reveals collective density excitations with an associated dispersion relation which points to a small positive dispersion. Results are also reported for several transport coefficients. Additional simulations have also been performed at a slightly higher temperature in order to study the structure of the free liquid surface. The ionic density profile shows an oscillatory behavior with two different wavelengths, as the spacing between the outer and first inner layer is different from that between the other inner layers. The calculated reflectivity shows a marked maximum whose origin is related to the surface layering, along with a shoulder located at a much smaller wavevector transfer.

  11. Bulk and surface band structure of the new family of semiconductors BiTeX (X=I, Br, Cl)

    International Nuclear Information System (INIS)

    Moreschini, L.; Autès, G.; Crepaldi, A.; Moser, S.; Johannsen, J.C.; Kim, K.S.; Berger, H.; Bugnon, Ph.; Magrez, A.; Denlinger, J.; Rotenberg, E.; Bostwick, A.; Yazyev, O.V.

    2015-01-01

    Highlights: • We provide an ARPES comparison between the three tellurohalides BiTeX (X = I, Br, Cl). • They present a similar band structure with namely spin-split bulk and surface states. • They offer, except for BiTeCl, the possibility of ambipolar conduction. • They can be easily doped. • From the data appeared so far, BiTeBr may be the most appealing for applications. - Abstract: We present an overview of the new family of semiconductors BiTeX (X = I, Br, Cl) from the perspective of angle resolved photoemission spectroscopy. The strong band bending occurring at the surface potentially endows them with a large flexibility, as they are capable of hosting both hole and electron conduction, and can be modified by inclusion or adsorption of foreign atoms. In addition, their trigonal crystal structure lacks a center of symmetry and allows for both bulk and surface spin-split bands at the Fermi level. We elucidate analogies and differences among the three materials, also in the light of recent theoretical and experimental work

  12. Structural characterization of bulk GaN crystals grown under high hydrostatic pressure

    Science.gov (United States)

    Liliental-Weber, Zuzanna; Kisielowski, C.; Ruvimov, S.; Chen, Y.; Washburn, J.; Grzegory, I.; Bockowski, M.; Jun, J.; Porowski, S.

    1996-09-01

    This paper describes TEM characterization of bulk GaN crystals grown at 1500-1800Kin the form of plates from a solution of atomic nitrogen in liquid gallium under high nitrogen pressure (up to 20 kbars). The x-ray rocking curves for these crystals were in the range of 20-30 arc-sec. The plate thickness along the c axis was about 100 times smaller than the nonpolar growth directions. A substantial difference in material quality was observed on the opposite sides of the plates normal to the c direction. On one side the surface was atomically flat, while on the other side the surface was rough, with pyramidal features up to 100 nm high. The polarity of the crystals was determined using convergent-beam electron diffraction. The results showed that, regarding the long bond between Ga and N along the c-axis, Ga atoms were found to be closer to the flat side of the crystal, while N atoms were found to be closer to the rough side. Near the rough side, within 1/10 to 1/4 of the plate thickness, there was a high density of planar defects (stacking faults and dislocation loops decorated by Ga/void precipitates). A model explaining the defect formation is proposed.

  13. High performance liquid chromatography for simultaneous determination of xipamide, triamterene and hydrochlorothiazide in bulk drug samples and dosage forms.

    Science.gov (United States)

    Abd El-Hay, Soad S; Hashem, Hisham; Gouda, Ayman A

    2016-03-01

    A novel, simple and robust high-performance liquid chromatography (HPLC) method was developed and validated for simultaneous determination of xipamide (XIP), triamterene (TRI) and hydrochlorothiazide (HCT) in their bulk powders and dosage forms. Chromatographic separation was carried out in less than two minutes. The separation was performed on a RP C-18 stationary phase with an isocratic elution system consisting of 0.03 mol L(-1) orthophosphoric acid (pH 2.3) and acetonitrile (ACN) as the mobile phase in the ratio of 50:50, at 2.0 mL min(-1) flow rate at room temperature. Detection was performed at 220 nm. Validation was performed concerning system suitability, limits of detection and quantitation, accuracy, precision, linearity and robustness. Calibration curves were rectilinear over the range of 0.195-100 μg mL(-1) for all the drugs studied. Recovery values were 99.9, 99.6 and 99.0 % for XIP, TRI and HCT, respectively. The method was applied to simultaneous determination of the studied analytes in their pharmaceutical dosage forms.

  14. 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

  15. Structural relaxations in the bulk amorphous alloy Fe{sub 61}Co{sub 10}Ti{sub 3}Y{sub 6}B{sub 20}

    Energy Technology Data Exchange (ETDEWEB)

    Błoch, K., E-mail: 23kasia1@wp.pl; Nabiałek, M.; Gondro, J.

    2017-05-01

    The paper presents studies of annealing effect on the disaccommodation phenomenon in bulk amorphous alloy Fe{sub 61}Co{sub 10}Ti{sub 3}Y{sub 6}B{sub 20}. The investigated sample was prepared by suction-casting method in the form of rod. The annealing process has been performed at temperature well below the crystallisation temperature. The amorphous structure has been confirmed using X-ray diffractometer. The susceptibility and its disaccommodation were determined using completely automated set up. The disaccommodation curve was decomposed into three elementary processes, each of them was described by Gaussian distribution of relaxation times. The obtained results indicate that the disaccommodation phenomenon in studied alloy is related with directional ordering of atom pairs near the free volumes; this is in agreement with H. Kronmüller's theorem.

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

    KAUST Repository

    Vandewal, Koen; Himmelberger, Scott; Salleo, Alberto

    2013-01-01

    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

  17. The importance of bulk density determination in gravity data processing for structure interpretation

    Science.gov (United States)

    Wildan, D.; Akbar, A. M.; Novranza, K. M. S.; Sobirin, R.; Permadi, A. N.; Supriyanto

    2017-07-01

    Gravity method use rock density variation for determining subsurface lithology and geological structure. In the "green area" where measurement of rock density has not been done, an attemp to find density is usually performed by calculating using Parasnis method, or by using using the average of rock density in the earth's crust (2,67 gr/cm3) or by using theoritical value of dominant rock density in the survey area (2,90 gr/cm3). Those three values of densities are applied to gravity data analysis in the hilly "X" area. And we have compared all together in order to observed which value has represented the structure better. The result showed that the higher value of rock density, the more obvious structure in the Bouguer anomaly profile. It is due to the contrast of maximum and minimum value of Bouguer anomaly that will affect the exageration in distance vs Bouguer anomaly graphic.

  18. 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

    are of high uniformity, having an average roughness of about 4 nm. The characterization of the metal deposition is done using both the scanning electron microscopy technique as well as by atomic force microscope measurements. The electroless technique can be easily implemented, providing the effective...... and reliable metal deposition for fabrication of 3D samples in the broad range of plasmonics and photonics applications....

  19. Analytical solutions to sampling effects in drop size distribution measurements during stationary rainfall: Estimation of bulk rainfall variables

    NARCIS (Netherlands)

    Uijlenhoet, R.; Porrà, J.M.; Sempere Torres, D.; Creutin, J.D.

    2006-01-01

    A stochastic model of the microstructure of rainfall is used to derive explicit expressions for the magnitude of the sampling fluctuations in rainfall properties estimated from raindrop size measurements in stationary rainfall. The model is a marked point process, in which the points represent the

  20. 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...

  1. Direct band gap electroluminescence from bulk germanium at room temperature using an asymmetric fin type metal/germanium/metal structure

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Dong, E-mail: wang.dong.539@m.kyushu-u.ac.jp; Maekura, Takayuki; Kamezawa, Sho [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan); Yamamoto, Keisuke; Nakashima, Hiroshi [Art, Science and Technology Center for Cooperative Research, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan)

    2015-02-16

    We demonstrated direct band gap (DBG) electroluminescence (EL) at room temperature from n-type bulk germanium (Ge) using a fin type asymmetric lateral metal/Ge/metal structure with TiN/Ge and HfGe/Ge contacts, which was fabricated using a low temperature (<400 °C) process. Small electron and hole barrier heights were obtained for TiN/Ge and HfGe/Ge contacts, respectively. DBG EL spectrum peaked at 1.55 μm was clearly observed even at a small current density of 2.2 μA/μm. Superlinear increase in EL intensity was also observed with increasing current density, due to superlinear increase in population of elections in direct conduction band. The efficiency of hole injection was also clarified.

  2. 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.)

  3. Influence of crossed fields in structures combining large grain, bulk (RE)BCO superconductors and soft ferromagnetic discs

    International Nuclear Information System (INIS)

    Philippe, M P; Fagnard, J F; Wéra, L; Vanderheyden, B; Vanderbemden, P; Morita, M; Nariki, S; Teshima, H; Caps, H

    2016-01-01

    Bulk (RE)BCO superconductors are able to trap record magnetic fields and can be used as powerful permanent magnets in various engineering applications such as rotating machines and magnetic bearings. When such superconducting (SC) “trapped field magnets” are combined to a ferromagnetic (FM) disc, the total magnetic moment is increased with respect to that of the superconductor alone. In the present work, we study experimentally the magnetic behaviour of such hybrid FM/SC structures when they are subjected to cycles of applied field that are orthogonal to their permanent magnetization, i.e. a “crossed-field” configuration. Experimental results show that the usual “crossed-field demagnetization” caused by the cycles of transverse field is strongly reduced in the presence of the ferromagnet. (paper)

  4. 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

  5. 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.

  6. 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

  7. Structural analysis of quaternary Se{sub 85−x}Sb{sub 10}In{sub 5}Ag{sub x} bulk glassy alloys

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Rita, E-mail: reetasharma2012@gmail.com; Sharma, Shaveta; Kumar, Praveen; Chander, Ravi; Thangaraj, R.; Mian, M. [Semiconductors Laboratory, Department of Physics, GND University, Amritsar (India)

    2015-08-28

    The physical properties of chalcogenide semiconductor have attracted much attention recently due to their applications in optical recording media and inorganic resist due to photo induced structural transformations observed in these materials. The bulk samples of Se{sub 85-x}Sb{sub 10}In{sub 5}Ag{sub x} system are prepared by melt-quenching technique. X-ray diffraction technique and RAMAN spectroscopy have been used to study the role of Ag additive on the amorphous/crystalline nature and molecular structure of Se{sub 85}Sb{sub 10}In{sub 5} glassy alloys. The phases Sb{sub 2}Se{sub 3}, In-Sb and In{sub 2}Se{sub 3} has been observed by X-ray diffraction. The formation of AgInSe{sub 2} phase along with the enhancement in intensity has been observed with the Ag addition.Three bands observed by raman spectroscopy for Se85Sb10In5 are at 70 cm-1, 212cm-1 and 252cm-1. The formation of small bands up to wavenumber 188cm{sup -1} and shifting in second band along with the increase in intensity up to sample x=5 has been observed with the Ag addition. The enhancement in intensity in third band with Ag content has been observed.

  8. 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)

  9. 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.

  10. Ultrafast laser induced electronic and structural modifications in bulk fused silica

    Energy Technology Data Exchange (ETDEWEB)

    Mishchik, K.; D' Amico, C.; Velpula, P. K.; Mauclair, C.; Boukenter, A.; Ouerdane, Y.; Stoian, R. [Laboratoire Hubert Curien, UMR 5516 CNRS, Université de Lyon, Université Jean Monnet, 42000 Saint Etienne (France)

    2013-10-07

    Ultrashort laser pulses can modify the inner structure of fused silica, generating refractive index changes varying from soft positive (type I) light guiding forms to negative (type II) values with void presence and anisotropic sub-wavelength modulation. We investigate electronic and structural material changes in the type I to type II transition via coherent and incoherent secondary light emission reflecting free carrier behavior and post-irradiation material relaxation in the index change patterns. Using phase contrast microscopy, photoluminescence, and Raman spectroscopy, we determine in a space-resolved manner defect formation, redistribution and spatial segregation, and glass network reorganization paths in conditions marking the changeover between type I and type II photoinscription regimes. We first show characteristic patterns of second harmonic generation in type I and type II traces, indicating the collective involvement of free carriers and polarization memory. Second, incoherent photoemission from resonantly and non-resonantly excited defect states reveals accumulation of non-bridging oxygen hole centers (NBOHCs) in positive index domains and oxygen deficiency centers (ODCs) with O{sub 2}{sup −} ions segregation in void-like regions and in the nanostructured domains, reflecting the interaction strength. Complementary Raman investigations put into evidence signatures of the different environments where photo-chemical densification (bond rearrangements) and mechanical effects can be indicated. NBOHCs setting in before visible index changes serve as precursors for subsequent compaction build-up, indicating a scenario of cold, defect-assisted densification for the soft type I irradiation regime. Additionally, we observe hydrodynamic effects and severe bond-breaking in type II zones with indications of phase transition. These observations illuminate densification paths in fused silica in low power irradiation regimes, and equally in energetic ranges

  11. 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.

  12. First-principles study of native defects in bulk Sm2CuO4 and its (001) surface structure

    Science.gov (United States)

    Zheng, Fubao; Zhang, Qinfang; Meng, Qiangqiang; Wang, Baolin; Song, Fengqi; Yunoki, Seiji; Wang, Guanghou

    2018-04-01

    Using the first-principles calculations based on the density functional theory, we have studied the bulk defect formation and surface structures of Sm2CuO4. To ensure the accuracy of calculations, the spin order of Cu atoms is rechecked and it is the well-known nearest-neighbor antiferromagnetic ground state, which can be attributed to the hole-mediated superexchange through the strong pdσ hybridization interaction between Cu dx2-y2 electron and the neighboring oxygen px (or py) electron. Under each present experimental condition, the Sm vacancy has a very high formation energy and is unlikely to be stable. The Cu vacancy is a shallow acceptor, which is preferred under O-rich conditions, whereas the O vacancy is a donor and energetically favorable under O-poor conditions. To construct its (001) surface structure, CuOO, CuO, and Cu terminated surfaces are found to be most favorable under different experimental conditions. The stable surface structures are always accompanied by significant surface atomic reconstructions and electron charge redistribution, which are intimately correlated to each other.

  13. 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.

  14. Heating and structural disordering effects of the nonlinear viscous flow in a Zr55Al10Ni5Cu30 bulk metallic glass

    International Nuclear Information System (INIS)

    Kato, Hidemi; Inoue, Akihisa; Chen, H.S.

    2003-01-01

    The heat evolution of stress-induced structural disorder, ΔH s (ε), of a Zr 55 Al 10 Ni 5 Cu 30 bulk metallic glass (BMG) during compressive constant ram-velocity deformation at the glass transition region (T g =680 K) was deduced from in situ measurements of temperature change of the deforming sample. At the transition from the linear to nonlinear viscoelasticity, the behavior of viscosity change with strain, η(ε), is qualitatively consistent with the enthalpy evolution of the structural disordering, ΔH s (ε), but not with the temperature change, ΔT(ε). It is concluded that the initial softening deformation is due to the stress-induced structural disordering. The change in the nonlinearity, -log η-tilde ≡-log η /η N , is found to be proportional to the ΔH s and the slope of ΔH s (-log η-tilde) can be estimated to 400 J/mol, where η N is the Newtonian viscosity. On the other hand, the temperature raise, ΔT(ε), is pronouncedly delayed as compared with the η (ε) and ΔH s (ε) at the transition, but is determined by a product of stress and plastic strain-rate, σ·ε p , and is nearly proportional to it at the steady state. The slope of ΔT(σ·ε p ) can be estimated to 5.2x10 -2 K mol/W

  15. 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

  16. 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...

  17. 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

  18. 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.

  19. Sampling Realistic Protein Conformations Using Local Structural Bias

    DEFF Research Database (Denmark)

    Hamelryck, Thomas Wim; Kent, John T.; Krogh, A.

    2006-01-01

    The prediction of protein structure from sequence remains a major unsolved problem in biology. The most successful protein structure prediction methods make use of a divide-and-conquer strategy to attack the problem: a conformational sampling method generates plausible candidate structures, which...... are subsequently accepted or rejected using an energy function. Conceptually, this often corresponds to separating local structural bias from the long-range interactions that stabilize the compact, native state. However, sampling protein conformations that are compatible with the local structural bias encoded...... in a given protein sequence is a long-standing open problem, especially in continuous space. We describe an elegant and mathematically rigorous method to do this, and show that it readily generates native-like protein conformations simply by enforcing compactness. Our results have far-reaching implications...

  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. 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...... dimensional reliability problems in structural dynamics.......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...... is minimized. Next, the method is applied on different cases of linear and nonlinear systems with a large number of random variables representing the dynamic excitation. The results show that asymptotic sampling is capable of providing good approximations of low failure probability events for very high...

  2. Effects of the copper content on the structural and electrical properties of Cu2ZnSnSe4 bulks

    Science.gov (United States)

    Tsega, Moges; Dejene, F. B.; Koao, L. F.

    2016-01-01

    We have investigated the concept of defect in CuxZnSnSe4 (x=1.6-2.0) and Cuy(Zn0.9Sn1.1)Se4 (y= 1.6-2.0) bulks prepared by liquid-phase sintering at 600 °C for 2 h with soluble sintering aids of Sb2S3 and Te. All samples were found to exhibit p-type semiconductor for CuxZnSnSe4, while n-type of behavior obtained at y= 1.8-2.0 for Cuy(Zn0.9Sn1.1)Se4 pellets. The Cu vacancy acts as an acceptor point defect to form the p-type semiconductor, and Sn4+ 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 Cuy(Zn0.9Sn1.1)Se4 with increasing the Cu content is related to the types of its defects. At y=2.0 with carrier concentration of 4.88×1017 cm-3 showed the highest mobility of around 58 cm2/V s. Based upon the proposed point defects, the CZTSe property can be consistently explained.

  3. 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.

  4. A Monte Carlo Library Least Square approach in the Neutron Inelastic-scattering and Thermal-capture Analysis (NISTA) process in bulk coal samples

    Science.gov (United States)

    Reyhancan, Iskender Atilla; Ebrahimi, Alborz; Çolak, Üner; Erduran, M. Nizamettin; Angin, Nergis

    2017-01-01

    A new Monte-Carlo Library Least Square (MCLLS) approach for treating non-linear radiation analysis problem in Neutron Inelastic-scattering and Thermal-capture Analysis (NISTA) was developed. 14 MeV neutrons were produced by a neutron generator via the 3H (2H , n) 4He reaction. The prompt gamma ray spectra from bulk samples of seven different materials were measured by a Bismuth Germanate (BGO) gamma detection system. Polyethylene was used as neutron moderator along with iron and lead as neutron and gamma ray shielding, respectively. The gamma detection system was equipped with a list mode data acquisition system which streams spectroscopy data directly to the computer, event-by-event. A GEANT4 simulation toolkit was used for generating the single-element libraries of all the elements of interest. These libraries were then used in a Linear Library Least Square (LLLS) approach with an unknown experimental sample spectrum to fit it with the calculated elemental libraries. GEANT4 simulation results were also used for the selection of the neutron shielding material.

  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. 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)

  7. 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 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...

  8. Restoration with pioneer plants changes soil properties and remodels the diversity and structure of bacterial communities in rhizosphere and bulk soil of copper mine tailings in Jiangxi Province, China.

    Science.gov (United States)

    Sun, Xiaoyan; Zhou, Yanling; Tan, Yinjing; Wu, Zhaoxiang; Lu, Ping; Zhang, Guohua; Yu, Faxin

    2018-05-25

    To unravel the ecological function played by pioneer plants in the practical restoration of mine tailings, it is vital to explore changes of soil characteristics and microbial communities in rhizosphere and bulk soil following the adaptation and survival of plants. In the present study, the diversity and structure of rhizospheric bacterial communities of three pioneer plants in copper mine tailings were investigated by Illumina MiSeq sequencing, and the effects of pioneer plants on soil properties were also evaluated. Significant soil improvement was detected in rhizospheric samples, and Alnus cremastogyne showed higher total organic matter, total nitrogen, and available phosphorus than two other herbaceous plants. Microbial diversity indices in rhizosphere and bulk soil of reclaimed tailings were significantly higher than bare tailings, even the soil properties of bulk soil in reclaimed tailings were not significantly different from those of bare tailings. A detailed taxonomic composition analysis demonstrated that Alphaproteobacteria and Deltaproteobacteria, Chloroflexi, Acidobacteria, and Gemmatimonadetes showed significantly higher relative abundance in rhizosphere and bulk soil. In contrast, Gammaproteobacteria and Firmicutes were abundant in bare tailings, in which Bacillus, Pseudomonas, and Lactococcus made up the majority of the bacterial community (63.04%). Many species within known heavy metal resistance and nutrient regulatory microorganism were identified in reclaimed tailings, and were more abundant among rhizospheric microbes. Hierarchical clustering and principal coordinate analysis (PCoA) analysis demonstrated that the bacterial profiles in the rhizosphere clustered strictly together according to plant types, and were distinguishable from bulk soil. However, we also identified a large shared OTUs that occurred repeatedly and was unaffected by highly diverse soil properties in rhizosphere and bulk samples. Redundancy analysis indicated that water

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

    Science.gov (United States)

    Ramin, Elham; Sin, Gürkan; Mikkelsen, Peter Steen; Plósz, Benedek Gy

    2014-10-15

    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 of settling parameters to the total variance of the key WWTP process outputs significantly depends on the influent flow and settling conditions. The magnitude of the impact is found to vary, depending on which type of 1-D SST model is used. Therefore, we identify and recommend potential parameter subsets for WWTP model calibration, and propose optimal choice of 1-D SST models under different flow and settling boundary conditions. Additionally, the hydraulic parameters in the second-order SST model are found significant under dynamic wet-weather flow conditions. These results highlight the importance of developing a more mechanistic based flow-dependent hydraulic sub-model in second-order 1-D SST models in the future. Copyright © 2014 Elsevier Ltd. All rights reserved.

  10. 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

  11. Analytical tools for determination of new oral antidiabetic drugs, glitazones, gliptins, gliflozins and glinides, in bulk materials, pharmaceuticals and biological samples

    Directory of Open Access Journals (Sweden)

    Gumieniczek Anna

    2016-01-01

    Full Text Available The review presents analytical methods for determination of new oral drugs for the treatment of type 2 diabetes mellitus (T2DM, focusing on peroxisome proliferator-activated receptor gamma agonists (glitazones, dipeptidyl peptidase 4 inhibitors (gliptins and sodium/glucose co-transporter 2 inhibitors (gliflozins. Drugs derived from prandial glucose regulators, such as glinides, are considered because they are present in some new therapeutic options. The review presents analytical procedures suitable for determination of the drugs in bulk substances, such as pharmaceuticals and biological samples, including HPLC-UV, HPLC/LC-MS, TLC/HPTLC, CE/CE-MS, spectrophotometric (UV/VIS, spectrofluorimetric and electrochemical methods, taken from the literature over the past ten years (2006-2016. Some new procedures for extraction, separation and detection of the drugs, including solid phase extraction with molecularly imprinted polymers (SPE-MIP, liquid phase microextraction using porous hollow fibers (HP-LPME, HILIC chromatography, micellar mobile phases, ion mobility spectrometry (IMS and isotopically labeled internal standards, are discussed.

  12. 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...

  13. A survey of the exposure to Ostertagia ostertagi in dairy cow herds in Europe through the measurement of antibodies in milk samples from the bulk tank.

    Science.gov (United States)

    Forbes, A B; J Vercruysse; Charlier, J

    2008-10-20

    Measurement of antibodies to Ostertagia ostertagi in bulk tank milk (BTM) has value as a diagnostic indicator for potential production losses and anthelmintic treatment responses in dairy herds. Most of the recent data on O. ostertagi antibodies in milk have been generated in Belgium and Canada; the purpose of this study was to determine the range of O. ostertagi antibody levels in several European countries. BTM samples were collected during the autumn of 2005 and 2006 from a total of 1185 dairy herds from dairy farming regions in Denmark, Germany, Ireland, Italy, the Netherlands, Portugal, Spain and the United Kingdom. Antibody titres to O. ostertagi were determined by indirect ELISA and expressed as optical density ratios (ODR). In addition, relationships between ODR and management practices were investigated. For each country the mean ODR and the 25th-75th percentile values were determined. Mean BTM ODR values in herds with access to yards, paddocks and pastures ranged from 0.3 in Italy to 0.6 in Portugal and the UK/Ireland. The BTM ODR values obtained in this study were generally lower than those described in the literature for Belgium, but comparable with those in Canada. Variations between different European countries appeared to reflect different husbandry practices, particularly those related to access to pasture. The association analyses showed correlations between the BTM O. ostertagi ODR, outside access and grazing management, consistent with the publications from Belgium and Canada. When diagnostic values appropriate for different production situations and environments have been further validated, the test will provide an objective, quantitative assessment of the O. ostertagi status of a dairy herd and the possible impact this may have on performance and potential responses to anthelmintic treatment. This represents a significant step forward in evidence-based medicine for dairy veterinarians, advisors and farmers.

  14. A retrospective evaluation of a Bovine Herpesvirus-1 (BHV-1) antibody ELISA on bulk-tank milk samples for classification of the BHV-1 status of Danish dairy herds

    DEFF Research Database (Denmark)

    Nylin, Britta; Strøger, Ulla; Rønsholt, Leif

    2000-01-01

    Bulk-tank milk samples analysed in a Bovine Herpesvirus-1 (BHV-1) blocking ELISA are still in use in the Danish BHV-1 programme as a tool to classify dairy herds as BHV-1 infected or BHV-1 free herds. in this retrospective study, we used data from the Danish BHV-1 eradication campaign to evaluate...

  15. Structural and Mössbauer spectroscopy characterization of bulk and nanostructured TiFe{sub 0.5} Ni{sub 0.5}/graphite compounds and their hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Martínez, M. A. R., E-mail: fisicorodriguez@gmail.com; André-Filho, J.; Félix, L. L.; Coaquira, J. A. H.; Garg, V. K.; Oliveira, A. C. [Universidade de Brasília, Instituto de Física, Núcleo de Física Aplicada (Brazil); Mestnik-Filho, J. [Instituto de Pesquisas energéticas e Nucleares, IPEN-CNEN/SP (Brazil)

    2015-06-15

    The structural and hyperfine properties of bulk TiFe{sub 0.5}Ni{sub 0.5} intermetallic and ball-milled TiFe{sub 0.5}Ni{sub 0.5}/graphite compounds and their hydrides have been studied. The bulk and nanostructured TiFe{sub 0.5}Ni{sub 0.5} compounds crystallize in the cubic crystal structure of CsCl (B2). After hydrogenation, the formation of hydrogen-poor phase (∝-phase) and hydride phase (β-phase) have been determined for the bulk compound. However, the formation of the ∝-phase and the hydrogen-richest phase (γ-phase) and other secondary phases have been determined for the ball-milled TiFe{sub 0.5}Ni{sub 0.5}/graphite sample. It has been determined that the ball-milled TiFe{sub 0.5}Ni{sub 0.5}/graphite sample presents a large amount of the γ-phase which indicates that the presence of graphite nearby nanostructured intermetallic grains enhances the absorption of hydrogen. Mossbauer results are consistent with the structural results. Meanwhile, no significant changes in the isomer shift (IS) value has been determined for the α-phase with respect to the intermetallic compound, a strong increase in the IS value has been determined for the β- and γ-phases with respect to the ∝-phase. That increase indicates a decrease of the s-electron density at the Fe nuclei due to the charge transfer from the metal to the nearby hydrogen atoms.

  16. Life values structure in a Spanish sample of adolescents

    Directory of Open Access Journals (Sweden)

    María Tejerina-Arreal

    2014-05-01

    Full Text Available We examined the structure of personal life values as a representation of underlying motivation, in a Spanish sample of children and adolescents 12 - 16 years old. In general, results showed that youth put higher priority on intrinsic life goals (meaningful relationships, being physically healthy, self-acceptance than extrinsic life goals (image, money, power. Gender differences were found in specific life goals. When comparing our results with another longitudinal American study using the same instrument and methodology, we found similar results, although Spanish youth value priorities goals related to support rather than striving as in American adolescents. Cultural and age trend in life priorities are discussed.

  17. The influence of the bulk reduction state on the surface structure and morphology of rutile TiO{sub 2}(110) single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Li, M.; Hebenstreit, W.; Diebold, U.; Tyryshkin, A.M.; Bowman, M.K.; Dunham, G.G.; Henderson, M.A.

    2000-05-25

    The authors have investigated the relationship between different types and amounts of bulk defects and the surface morphology of TiO{sub 2}(110) single crystals prepared by annealing in ultrahigh vacuum and in oxygen. Rutile TiO{sub 2}(110) specimens were cut from the same crystal and were heated in a furnace to different temperatures which resulted in different states of reduction (colors of the crystals). After characterization of the bulk defects with electron paramagnetic resonance (EPR), the specimens were studied with scanning tunneling microscopy (STM), low-energy He{sup +} ion scattering (LEIS), and work function measurements. EPR reveals that darker rutile crystals exhibit higher concentrations of extended Ti{sup 3+} related bulk defects such as crystallographic shear planes (CSP), with a decrease in substitutional and interstitial defects as compared to lighter crystals. Surface structures with (1 x 2) features are preferably formed upon UHV annealing on these darker crystals. LEIS measurements show that all of the crystals' (110) surfaces are reoxidized upon annealing in {sup 18}O{sub 2} (573 K, 1 x 10{sup {minus}6} mbar, 10 min) and that the {sup 18}O surface content is proportional to the bulk reduction state. UV-visible adsorption spectra and resistivity measurements also scale with the reduction states of crystals. Only the (1 x 1) structure is observed on the surface of slightly reduced crystals. Annealing in oxygen induces additional metastable structures, i.e., TiO{sub 2} clusters on blue crystals and rosette networks on dark blue crystals.

  18. 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.

  19. 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.; Mukhopadhyay, Sukrit; Shiring, Stephen B.; Risko, Chad; Bredas, Jean-Luc

    2014-01-01

    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.

  20. 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...

  1. X-ray structural investigation of nonsymmetrically and symmetrically alkylated [1]benzothieno[3,2-b]benzothiophene derivatives in bulk and thin films.

    Science.gov (United States)

    Gbabode, Gabin; Dohr, Michael; Niebel, Claude; Balandier, Jean-Yves; Ruzié, Christian; Négrier, Philippe; Mondieig, Denise; Geerts, Yves H; Resel, Roland; Sferrazza, Michele

    2014-08-27

    A detailed structural study of the bulk and thin film phases observed for two potential high-performance organic semiconductors has been carried out. The molecules are based on [1]benzothieno[3,2-b]benzothiophene (BTBT) as conjugated core and octyl side groups, which are anchored either symmetrically at both sides of the BTBT core (C8-BTBT-C8) or nonsymmetrically at one side only (C8-BTBT). Thin films of different thickness (8-85 nm) have been prepared by spin-coating for both systems and analyzed by combining specular and grazing incidence X-ray diffraction. In the case of C8-BTBT-C8, the known crystal structure obtained from single-crystal investigations is observed within all thin films, down to a film thickness of 9 nm. In the case of C8-BTBT, the crystal structure of the bulk phase has been determined from X-ray powder diffraction data with a consistent matching of experimental and calculated X-ray diffraction patterns (Rwp = 5.8%). The packing arrangement of C8-BTBT is similar to that of C8-BTBT-C8, that is, consisting of a lamellar structure with molecules arranged in a "herringbone" fashion, yet with lamellae composed of two head-to-head (or tail-to-tail as the structure is periodic) superimposed molecules instead of only one molecule for C8-BTBT-C8. As for C8-BTBT-C8, we demonstrate that the same phase is observed in bulk and thin films for C8-BTBT whatever the film thickness investigated.

  2. Suppression of bulk conductivity in InAs/GaSb broken gap composite quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Charpentier, Christophe; Fält, Stefan; Reichl, Christian; Nichele, Fabrizio; Nath Pal, Atindra; Pietsch, Patrick; Ihn, Thomas; Ensslin, Klaus; Wegscheider, Werner [Laboratory for Solid State Physics, ETH Zürich, 8093 Zürich (Switzerland)

    2013-09-09

    The two-dimensional topological insulator state in InAs/GaSb quantum wells manifests itself by topologically protected helical edge channel transport relying on an insulating bulk. This work investigates a way of suppressing bulk conductivity by using gallium source materials of different degrees of impurity concentrations. While highest-purity gallium is accompanied by clear conduction through the sample bulk, intentional impurity incorporation leads to a bulk resistance over 1 MΩ, independent of applied magnetic fields. In addition, ultra high electron mobilities for GaAs/AlGaAs structures fabricated in a molecular beam epitaxy system used for the growth of Sb-based samples are reported.

  3. 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

    , wavelength scale, the propagation of bulk plasmon polaritons in the resulting multiscale HMM is subject to photonic band gap phenomena. A great degree of control over such plasmons can be exerted by varying the superstructure geometry. As an example, Bragg reflection and Fabry-Pérot resonances...... are demonstrated in multiscale HMMs with periodic superstructures. More complicated, aperiodically ordered superstructures are also considered, with fractal Cantor-like multiscale HMMs exhibiting characteristic self-similar spectral signatures in the high-k band. The multiscale HMM concept is shown...

  4. 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.

  5. Predator-guided sampling reveals biotic structure in the bathypelagic.

    Science.gov (United States)

    Benoit-Bird, Kelly J; Southall, Brandon L; Moline, Mark A

    2016-02-24

    We targeted a habitat used differentially by deep-diving, air-breathing predators to empirically sample their prey's distributions off southern California. Fine-scale measurements of the spatial variability of potential prey animals from the surface to 1,200 m were obtained using conventional fisheries echosounders aboard a surface ship and uniquely integrated into a deep-diving autonomous vehicle. Significant spatial variability in the size, composition, total biomass, and spatial organization of biota was evident over all spatial scales examined and was consistent with the general distribution patterns of foraging Cuvier's beaked whales (Ziphius cavirostris) observed in separate studies. Striking differences found in prey characteristics between regions at depth, however, did not reflect differences observed in surface layers. These differences in deep pelagic structure horizontally and relative to surface structure, absent clear physical differences, change our long-held views of this habitat as uniform. The revelation that animals deep in the water column are so spatially heterogeneous at scales from 10 m to 50 km critically affects our understanding of the processes driving predator-prey interactions, energy transfer, biogeochemical cycling, and other ecological processes in the deep sea, and the connections between the productive surface mixed layer and the deep-water column. © 2016 The Author(s).

  6. A new configurational bias scheme for sampling supramolecular structures

    Energy Technology Data Exchange (ETDEWEB)

    De Gernier, Robin; Mognetti, Bortolo M., E-mail: bmognett@ulb.ac.be [Center for Nonlinear Phenomena and Complex Systems, Université Libre de Bruxelles, Code Postal 231, Campus Plaine, B-1050 Brussels (Belgium); Curk, Tine [Department of Chemistry, University of Cambridge, Cambridge CB2 1EW (United Kingdom); Dubacheva, Galina V. [Biosurfaces Unit, CIC biomaGUNE, Paseo Miramon 182, 20009 Donostia - San Sebastian (Spain); Richter, Ralf P. [Biosurfaces Unit, CIC biomaGUNE, Paseo Miramon 182, 20009 Donostia - San Sebastian (Spain); Université Grenoble Alpes, DCM, 38000 Grenoble (France); CNRS, DCM, 38000 Grenoble (France); Max Planck Institute for Intelligent Systems, 70569 Stuttgart (Germany)

    2014-12-28

    We present a new simulation scheme which allows an efficient sampling of reconfigurable supramolecular structures made of polymeric constructs functionalized by reactive binding sites. The algorithm is based on the configurational bias scheme of Siepmann and Frenkel and is powered by the possibility of changing the topology of the supramolecular network by a non-local Monte Carlo algorithm. Such a plan is accomplished by a multi-scale modelling that merges coarse-grained simulations, describing the typical polymer conformations, with experimental results accounting for free energy terms involved in the reactions of the active sites. We test the new algorithm for a system of DNA coated colloids for which we compute the hybridisation free energy cost associated to the binding of tethered single stranded DNAs terminated by short sequences of complementary nucleotides. In order to demonstrate the versatility of our method, we also consider polymers functionalized by receptors that bind a surface decorated by ligands. In particular, we compute the density of states of adsorbed polymers as a function of the number of ligand–receptor complexes formed. Such a quantity can be used to study the conformational properties of adsorbed polymers useful when engineering adsorption with tailored properties. We successfully compare the results with the predictions of a mean field theory. We believe that the proposed method will be a useful tool to investigate supramolecular structures resulting from direct interactions between functionalized polymers for which efficient numerical methodologies of investigation are still lacking.

  7. Ferromagnetic bulk glassy alloys

    International Nuclear Information System (INIS)

    Inoue, Akihisa; Makino, Akihiro; Mizushima, Takao

    2000-01-01

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

  8. X-ray Structural Investigation of Nonsymmetrically and Symmetrically Alkylated [1]Benzothieno[3,2-b]benzothiophene Derivatives in Bulk and Thin Films.

    OpenAIRE

    Gbabode , Gabin; Dohr , Michael; Niebel , Claude; Balandier , Jean-Yves; Ruzié , Christian; Négrier , Philippe; Mondieig , Denise; Geerts , Yves H; Resel , Roland; Sferrazza , Michele

    2014-01-01

    International audience; A detailed structural study of the bulk and thin film phases observed for two potential high-performance organic semiconductors has been carried out. The molecules are based on [1]benzothieno[3,2-b]benzothiophene (BTBT) as conjugated core and octyl side groups, which are anchored either symmetrically at both sides of the BTBT core (C8-BTBT-C8) or nonsymmetrically at one side only (C8-BTBT). Thin films of different thickness (8-85 nm) have been prepared by spin-coating ...

  9. 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...... of settling parameters to the total variance of the key WWTP process outputs significantly depends on the influent flow and settling conditions. The magnitude of the impact is found to vary, depending on which type of 1-D SST model is used. Therefore, we identify and recommend potential parameter subsets...

  10. 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

  11. 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.

  12. 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.)

  13. 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.

  14. 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.

  15. Clarification on shear transformation zone size and its correlation with plasticity for Zr-based bulk metallic glass in different structural states

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Z.Q.; Huang, L. [State Key Laboratory for Mechanical Behavior of Material, Xi' an Jiaotong University, Xi' an 710049 (China); Huang, P., E-mail: huangping@mail.xjtu.edu.cn [State Key Laboratory for Mechanical Behavior of Material, Xi' an Jiaotong University, Xi' an 710049 (China); Xu, K.W. [State Key Laboratory for Mechanical Behavior of Material, Xi' an Jiaotong University, Xi' an 710049 (China); Wang, F., E-mail: wangfei@mail.xjtu.edu.cn [State Key Laboratory for Strength and Vibration of Mechanical Structures Xi' an Jiaotong University, Xi' an 710049 (China); Lu, T.J. [State Key Laboratory for Strength and Vibration of Mechanical Structures Xi' an Jiaotong University, Xi' an 710049 (China); MOE Key Laboratory for Multifunctional Materials and Structures Xi' an Jiaotong University, Xi' an 710049 (China)

    2016-11-20

    To clarify the real size of shear transformation zone (STZ) and its correlation with the plasticity of metallic glass, STZ sizes of a Zr-based bulk metallic glass (BMG) in three different structural states (as-cast, annealed and confining annealed) were examined using both rate-change and statistical methods upon nanoindentation. STZ sizes (less than 24 atoms) obtained by the statistical method approached the real STZ size of very few atoms, and showed no correlation with BMG plasticity. In sharp contrast, STZ sizes (hundreds of atoms) obtained by the rate-change method not only were much larger than the real STZ size but also exhibited a positive correlation with BMG plasticity. These discrepancies were discussed in terms of the structural evolution of BMGs upon nanoindentation.

  16. Nanomorphology of polythiophene–fullerene bulk-heterojunction films investigated by structured illumination optical imaging and time-resolved confocal microscopy

    International Nuclear Information System (INIS)

    Hao, X-T; Hirvonen, L M; Smith, T A

    2013-01-01

    Structured illumination microscopy (SIM) and time-resolved confocal fluorescence microscopy are applied to investigate the nanomorphology of thin films comprising typical blends of the conjugated polymer, poly (3-hexylthiophene) (P3HT), and [6, 6]-phenyl C 61 -butyric acid methyl ester (PCBM), used for organic photovoltaic applications. SIM provides evidence for the presence of a thin emissive region around the crystalline regions of PCBM and at the tips of rod-like domains. The time-resolved measurements show that the emission surrounding the PCBM rods is longer lived than the bulk of the film. The two modes of microscopy provide complementary evidence indicating that electron–hole separation is inhibited between the polymer and the large PCBM-rich domains in these regions. We show here that structured illumination microscopy is a viable method of gaining additional information from these photovoltaic materials, despite their weak emission. (paper)

  17. Distinct effects of Cr bulk doping and surface deposition on the chemical environment and electronic structure of the topological insulator Bi{sub 2}Se{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, Turgut, E-mail: yilmaz@phys.uconn.edu [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States); Hines, William [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States); Sun, Fu-Chang [Department of Materials Science and Engineering, University of Connecticut, Storrs, CT 06269 (United States); Pletikosić, Ivo [Department of Physics, Princeton University, Princeton, NJ 08544 (United States); Budnick, Joseph [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States); Valla, Tonica [Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Sinkovic, Boris [Department of Physics, University of Connecticut, Storrs, CT 06269 (United States)

    2017-06-15

    Highlights: • Cr doping into the bulk of Bi{sub 2}Se{sub 3} opens an energy gap at the Dirac point which is observable in the non-magnetic state. • Cr surface deposition does not lead to open an energy gap at the Dirac point of Bi{sub 2}Se{sub 3}. • Formation of two distinct Bi and Cr core level peaks was observed upon the deposition of Cr on the surface of Bi{sub 2}Se{sub 3}. - Abstract: In this report, it is shown that Cr doped into the bulk and Cr deposited on the surface of Bi{sub 2}Se{sub 3} 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.

  18. 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.

  19. Naphtho[2,1-b:3,4-b']dithiophene-based bulk heterojunction solar cells: how molecular structure influences nanoscale morphology and photovoltaic properties.

    Science.gov (United States)

    Kim, Yu Jin; Cheon, Ye Rim; Back, Jang Yeol; Kim, Yun-Hi; Chung, Dae Sung; Park, Chan Eon

    2014-11-10

    Organic bulk heterojunction photovoltaic devices based on a series of three naphtho[2,1-b:3,4-b']dithiophene (NDT) derivatives blended with phenyl-C71-butyric acid methyl ester were studied. These three derivatives, which have NDT units with various thiophene-chain lengths, were employed as the donor polymers. The influence of their molecular structures on the correlation between their solar-cell performances and their degree of crystallization was assessed. The grazing-incidence angle X-ray diffraction and atomic force microscopy results showed that the three derivatives exhibit three distinct nanoscale morphologies. We correlated these morphologies with the device physics by determining the J-V characteristics and the hole and electron mobilities of the devices. On the basis of our results, we propose new rules for the design of future generations of NDT-based polymers for use in bulk heterojunction solar cells. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. 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.

  1. 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

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

    KAUST Repository

    Hargis, Craig W.; Moon, Juhyuk; Lothenbach, Barbara; Winnefeld, Frank; Wenk, Hans-Rudolf; Monteiro, Paulo J. M.

    2013-01-01

    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

  3. Molecular structure of virgin and Tg cycled (Ag2Se)x (AsSe)1-x bulk glasses

    Science.gov (United States)

    Wachtman, Jacob; Chen, Ping; Boochand, P.

    2009-03-01

    AsSe, the base glass (x = 0) in the titled ternary, is an interesting example of a chalcogenide that is partially de-mixed into As4Se4 molecules segregated from a connected AsSe network, with the latter determining glass network properties. Raman scattering reveals sharp modes of the Realgar molecules that are superimposed on broad modes coming from of the backbone. Upon Tg cycling virgin samples (as quenched melts), the concentration of de-mixed As4Se4 molecules decreases, suggesting that thermally induced polymerization occurs; molecules break up to form part of the connective tissue. Modulated DSC experiments reveal a broad exotherm near 140 ^oC in virgin samples, which becomes nearly extinct in Tg cycled samples. The exotherm may represent Realgar molecules nano-crystallizing as the temperature approaches Tg. Compositional trends in thermal parameters such as Tg(x), δCp(x), and the δHnr(x) as a function of Ag2Se content `x' of the glasses will be reported.

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

    Science.gov (United States)

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

    2018-05-03

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

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

    Science.gov (United States)

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

    2018-06-01

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

  6. Bioaccessibility of nutrients and micronutrients from dispersed food systems: impact of the multiscale bulk and interfacial structures.

    Science.gov (United States)

    Marze, Sébastien

    2013-01-01

    Many food systems are dispersed systems, that is, they possess at least two immiscible phases. This is generally due to the coexistence of domains with different physicochemical properties separated by many interfaces which control the apparent thermodynamic equilibrium. This feature was and is still largely studied to design pharmaceutical delivery systems. In food science, the recent intensification of in vitro digestion tests to complement the in vivo ones holds promises in the identification of the key parameters controlling the bioaccessibility of nutrients and micronutrients. In this review, we present the developments of in vitro digestion tests for dispersed food systems (mainly emulsions, dispersions and gels). We especially highlight the evidences detailing the roles of the constituting multiscale structures. In a perspective section, we show the potential of structured interfaces to allow controlled bioaccessibility.

  7. Electronic-structure origin of the glass-forming ability and magnetic properties in Fe–RE–B–Nb bulk metallic glasses

    International Nuclear Information System (INIS)

    Li, J.W.; Estévez, D.; Jiang, K.M.; Yang, W.M.; Man, Q.K.; Chang, C.T.; Wang, X.M.

    2014-01-01

    Highlights: • Relation between GFA and electronic structure of RE doped BMGs is investigated. • Tm enhances RE–B bonds and decreases the density of states near the Fermi level. • Magnetic properties of the alloys are related to the electronic structure of RE. - Abstract: (Fe 0.71 RE 0.05 B 0.24 ) 96 Nb 4 (RE = Gd, Tb, Ho, Er, Tm) bulk metallic glasses (BMGs) were found exhibiting excellent glass-forming ability (GFA) with critical diameters ranging from 3.5 to 6.5 mm, and high compressive fracture strength larger than 4300 MPa. Moreover, they displayed good soft-magnetic properties with saturation magnetic flux density of 0.71–0.87 T, coercive force of 1.23–39.76 A/m and effective permeability of 1500–12,740 at 1 kHz. X-ray photoelectron spectroscopy was performed to clarify the origin of the excellent GFA from the viewpoint of electronic structure. It was found that the Tm doped alloy displayed unique electronic structure including the deepest core-level binding energy, the most numerous RE–B bonds and the minimum density of states near the Fermi level, making this alloy the best glass former. The various trends noticed in the magnetic properties were ascribed mainly to the differences in the magnetic anisotropy and magnetic moment of RE elements

  8. Effects of annealing on the compositional heterogeneity and structure in zirconium-based bulk metallic glass thin films

    International Nuclear Information System (INIS)

    He, L.; Chu, J.P.; Li, C.-L.; Lee, C.-M.; Chen, Y.-C.; Liaw, P.K.; Voyles, P.M.

    2014-01-01

    In-situ heating fluctuation electron microscopy and scanning transmission electron microscopy have been utilized to study compositional and structural heterogeneities in Zr 51 Cu 32 Al 9 Ni 8 thin films upon annealing. Composition fluctuations are present in the as-deposited thin films. Well below the glass transition temperature, the composition fluctuations increase with annealing time. Short- and medium-range order also change with annealing temperature. The observed heterogeneities in the glass structure persist until annealing causes crystallization. The 20 nm thick Zr 51 Cu 32 Al 9 Ni 8 films contain oxide layers both at the surface and the film/substrate interface with the total thickness of 7–8 nm. In-situ annealing increased the oxygen content of the whole films to about 24 wt.% after 2 h at 400 °C. - Highlights: • Zr 51 Cu 32 Al 9 Ni 8 thin films were studied with in-situ heating electron microscopy. • Annealing at 400 °C increases the Zr and Cu compositional fluctuations. • Short-range order in Zr 51 Cu 32 Al 9 Ni 8 becomes less homogeneous above 350 °C. • Medium-range order changes in degree and types at 400 °C, well below T g . • Annealing increases composition and structure heterogeneities until crystallization

  9. 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  

  10. Effects of alkyl chain length and substituent pattern of fullerene bis-adducts on film structures and photovoltaic properties of bulk heterojunction solar cells.

    Science.gov (United States)

    Tao, Ran; Umeyama, Tomokazu; Kurotobi, Kei; Imahori, Hiroshi

    2014-10-08

    A series of alkoxycarbonyl-substituted dihydronaphthyl-based [60]fullerene bis-adduct derivatives (denoted as C2BA, C4BA, and C6BA with the alkyl chain of ethyl, n-butyl, and n-hexyl, respectively) have been synthesized to investigate the effects of alkyl chain length and substituent pattern of fullerene bis-adducts on the film structures and photovoltaic properties of bulk heterojunction polymer solar cells. The shorter alkyl chain length caused lower solubility of the fullerene bis-adducts (C6BA > C4BA > C2BA), thereby resulting in the increased separation difficulty of respective bis-adduct isomers. The device performance based on poly(3-hexylthiophene) (P3HT) and the fullerene bis-adduct regioisomer mixtures was enhanced by shortening the alkyl chain length. When using the regioisomerically separated fullerene bis-adducts, the devices based on trans-2 and a mixture of trans-4 and e of C4BA exhibited the highest power conversion efficiencies of ca. 2.4%, which are considerably higher than those of the C6BA counterparts (ca. 1.4%) and the C4BA regioisomer mixture (1.10%). The film morphologies as well as electron mobilities of the P3HT:bis-adduct blend films were found to affect the photovoltaic properties considerably. These results reveal that the alkyl chain length and substituent pattern of fullerene bis-adducts significantly influence the photovoltaic properties as well as the film structures of bulk heterojunction solar cells.

  11. 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

  12. 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

  13. 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…

  14. The electronic structure and bonding of a H-H pair in the vicinity of a BCC Fe bulk vacancy

    Energy Technology Data Exchange (ETDEWEB)

    Juan, A.; Pistonesi, C.; Brizuela, G. [Universidad Nacional del Sur, Bahia Blanca (Argentina). Departamento de Fisica; Garcia, A.J. [Universidad Nacional del Sur, Bahia Blanca (Argentina). Departamento de Ciencias de la Computacion

    2003-09-01

    The H-Fe interaction near a bcc Fe vacancy is analysed using a semi-empirical theoretical method. Calculations were performed using a Fe{sub 86} cluster with a vacancy. Hydrogen atoms are positioned in their local energy minima configurations. Changes in the electronic structure of Fe atoms near a vacancy were analysed for the system without H, with one H and with two H atoms. Fe atoms surrounding the vacancy weaken their bond when hydrogen is present. This is due to the formation of H-Fe bonds. Hydrogen influences only its nearest-neighbour Fe atoms. The H-H interaction was also analysed. For H-H distance of 0.82 Angstrom an H-H association is formed, while H-Fe interaction and Fe-Fe weakening is markedly reduced, when compared with other H-H interactions. (author)

  15. Densidade global de solos medida com anel volumétrico e por cachimbagem de terra fina seca ao ar Bulk density of soil samples measured in the field and through volume measurement of sieved soil

    Directory of Open Access Journals (Sweden)

    Bernardo Van Raij

    1989-01-01

    Full Text Available Em laboratórios de rotina de fertilidade do solo, a medida de quantidade de terra para análise é feita em volume, mediante utensílios chamados "cachimbos", que permitem medir volumes de terra. Admite-se que essas medidas reflitam a quantidade de terra existente em volume de solo similar em condições de campo. Essa hipótese foi avaliada neste trabalho, por doze amostras dos horizontes A e B de seis perfis de solos. A densidade em condições de campo foi avaliada por anel volumétrico e, no laboratório, por meio de cachimbos de diversos tamanhos. A cachimbagem revelou-se bastante precisa. Os valores de densidade global calculada variaram de 0,63 a 1,46g/cm³ para medidas de campo e de 0,91 a 1,33g/cm³ para medidas com cachimbos. Portanto, a medida de laboratório subestimou valores altos de densidade e deu resultados mais elevados para valores de campo mais baixos.In soil testing laboratories, soil samples for chemical analysis are usually measured by volume, using appropriate measuring spoons. It is tacitly assumed that such measurements would reflect amounts of soil existing in the same volume under field conditions. This hypothesis was tested, using 12 soil samples of the A and B horizons of six soil profiles. Bulk density in the field was evaluated through a cylindrical metal sampler of 50cm³ and in the laboratory using spoons of different sizes. Measurements of soil volumes by spoons were quite precise. Values of bulk density varied between 0.63 and 1.46g/cm³ for field measurements and between 0.91 and 1.33g/cm³ for laboratory measurements with spoons. Thus, laboratory measurements overestimated lower values of bulk densities and underestimated the higher ones.

  16. 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)

  17. Direct band gap light emission and detection at room temperature in bulk germanium diodes with HfGe/Ge/TiN structure

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Dong, E-mail: wang.dong.539@m.kyushu-u.ac.jp [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan); Maekura, Takayuki [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan); Yamamoto, Keisuke; Nakashima, Hiroshi [Art, Science and Technology Center for Cooperative Research, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan)

    2016-03-01

    Direct band gap (DBG) electroluminescence (EL) and photo detection were studied at room temperature for n-type bulk germanium (Ge) diodes with a fin type lateral HfGe/Ge/TiN structure. DBG EL spectra peaked at 1.55 μm were clearly observed due to small hole and electron barrier heights of HfGe/Ge and TiN/Ge contacts. DBG EL peak intensity increased with increasing doping level of Ge substrate due to increased electron population in direct conduction band. The integrated intensity of DBG EL spectrum is proportional to the area of active region, implying a good surface-uniformity of EL efficiency. Small dark current intensity was measured as 2.4 × 10{sup −7} A under a reverse bias voltage of − 1 V, corresponding to dark current densities of 5.3 × 10{sup −10} A/μm or 3.2 × 10{sup −10} A/μm{sup 2}. At the wavelength of 1.55 μm, a linear dependence of photo current intensity on laser power was observed with a responsivity of 0.44 A/W at a reverse bias voltage of − 1 V. - Highlights: • Lateral HfGe/Ge/TiN diodes were fabricated on bulk Ge substrates. • The highest temperature was 400 °C for the entire fabrication process. • Electroluminescence spectra were measured for HfGe/Ge/TiN diodes with different parameters. • Dark current densities were 5.3 × 10{sup −10} A/μm or 3.2 × 10{sup −10} A/μm{sup 2} at − 1 V. • Responsivity was 0.44 A/W, corresponding to an external quantum efficiency of 35.2%.

  18. 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

    precursors. In both cases, CuF2 resulted in a clear lowering of the reaction temperature. The superconducting and secondary phase grains are larger in the CuF2 doped samples but the critical transition temperature and the lattice parameters of the high T c phase are not affected. EDS analysis shows...

  19. 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)

  20. 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

  1. 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

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

  3. 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...

  4. 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.

  5. Thermal treatment induced modification of structural, surface and bulk magnetic properties of Fe61.5Co5Ni8Si13.5B9Nb3 metallic glass

    Science.gov (United States)

    Shah, M.; Satalkar, M.; Kane, S. N.; Ghodke, N. L.; Sinha, A. K.; Varga, L. K.; Teixeira, J. M.; Araujo, J. P.

    2018-05-01

    Effect of thermal annealing induced modification of structural, surface and bulk magnetic properties of Fe61.5Co5Ni8Si13.5B9Nb3 alloy is presented. The changes in properties were observed using synchrotron x-ray diffraction technique (SXRD), atomic force microscopy (AFM), magneto-optical kerr effect (MOKE) and bulk magnetic measurements. Significant variations on the both side of surface occur for the annealing temperature upto 500 °C promotes the surface crystallization. Surface roughness appears due to presence of nanocrystallization plays an important role in determining magnetic properties. Observed lower value of bulk coercivity Hc of 6.2 A/m annealed temperature at 450 °C/1 h ascribed to reduction of disorder as compared to the surface (both shiny and wheel side observed by MOKE measurement) whereas improvement of bulk saturation magnetization with annealing temperature indicates first near neighbor shell of Fe atoms are surrounded by Fe atoms. Evolution of coercivity of surface and bulk with annealing temperature has been presented in conjunction with the structural observations.

  6. 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.

  7. Hydrazine and hydrogen coinjection to mitigate stress corrosion cracking of structural materials in boiling water reactors (7). Effects of bulk water chemistry on ECP distribution inside a crack

    International Nuclear Information System (INIS)

    Wada, Yoichi; Ishida, Kazushige; Tachibana, Masahiko; Aizawa, Motohiro; Fuse, Motomasa

    2007-01-01

    Water chemistry in a simulated crack (crack) has been studied to understand the mechanisms of stress corrosion cracking in a boiling water reactor environment. Electrochemical corrosion potential (ECP) in a crack made in an austenite type 304 stainless steel specimen was measured. The ECP distribution along the simulated crack was strongly affected by bulk water chemistry and bulk flow. When oxygen concentration was high in the bulk water, the potential difference between the crack tip and the outside of the crack (ΔE), which must be one motive force for crack growth, was about 0.3V under a stagnant condition. When oxygen was removed from the bulk water, ECP inside and outside the crack became low and uniform and ΔE became small. The outside ECP was also lowered by depositing platinum on the steel specimen surface and adding stoichiometrically excess hydrogen to oxygen to lower ΔE. This was effective only when bulk water did not flow. Under the bulk water flow condition, water-borne oxygen caused an increase in ECP on the untreated surface inside the crack. This also caused a large ΔE. The ΔE effect was confirmed by crack growth rate measurements with a catalyst-treated specimen. Therefore, lowering the bulk oxidant concentration by such measures as hydrazine hydrogen coinjection, which is currently under development, is important for suppressing the crack growth. (author)

  8. 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

  9. 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.

  10. 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.

  11. Comparing near-infrared conventional diffuse reflectance spectroscopy and hyperspectral imaging for determination of the bulk properties of solid samples by multivariate regression: determination of Mooney viscosity and plasticity indices of natural rubber.

    Science.gov (United States)

    Juliano da Silva, Carlos; Pasquini, Celio

    2015-01-21

    Conventional reflectance spectroscopy (NIRS) and hyperspectral imaging (HI) in the near-infrared region (1000-2500 nm) are evaluated and compared, using, as the case study, the determination of relevant properties related to the quality of natural rubber. Mooney viscosity (MV) and plasticity indices (PI) (PI0 - original plasticity, PI30 - plasticity after accelerated aging, and PRI - the plasticity retention index after accelerated aging) of rubber were determined using multivariate regression models. Two hundred and eighty six samples of rubber were measured using conventional and hyperspectral near-infrared imaging reflectance instruments in the range of 1000-2500 nm. The sample set was split into regression (n = 191) and external validation (n = 95) sub-sets. Three instruments were employed for data acquisition: a line scanning hyperspectral camera and two conventional FT-NIR spectrometers. Sample heterogeneity was evaluated using hyperspectral images obtained with a resolution of 150 × 150 μm and principal component analysis. The probed sample area (5 cm(2); 24,000 pixels) to achieve representativeness was found to be equivalent to the average of 6 spectra for a 1 cm diameter probing circular window of one FT-NIR instrument. The other spectrophotometer can probe the whole sample in only one measurement. The results show that the rubber properties can be determined with very similar accuracy and precision by Partial Least Square (PLS) regression models regardless of whether HI-NIR or conventional FT-NIR produce the spectral datasets. The best Root Mean Square Errors of Prediction (RMSEPs) of external validation for MV, PI0, PI30, and PRI were 4.3, 1.8, 3.4, and 5.3%, respectively. Though the quantitative results provided by the three instruments can be considered equivalent, the hyperspectral imaging instrument presents a number of advantages, being about 6 times faster than conventional bulk spectrometers, producing robust spectral data by ensuring sample

  12. 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,

  13. 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.

  14. 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

  15. Oxygenation and cracking in melt-textured YBCO bulk superconductors

    International Nuclear Information System (INIS)

    Kracunovska, S; Diko, P; Litzkendorf, D; Habisreuther, T; Bierlich, J; Gawalek, W

    2005-01-01

    Microstructural changes during the oxygenation of YBCO bulks were studied. It was shown that a lower temperature of oxygenation leads to the formation of a denser structure of a/b- and c-macrocracks and causes faster and more homogeneous oxygenation of the sample. The opening of created macrocracks is the way in which the macroscopic stresses induced by macroscopic 211 particle concentration inhomogeneity are released. This is very important, because it prevents the formation of fatal c-macrocracks, which divide the sample into more domains, during cooling from oxygenation temperature or during sample performance. Oxygenation with a multistage programme causes the oxygen concentration difference between the oxygenated layer and the tetragonal matrix to be smaller, and consequently fewer macrocracks are formed. This leads to the prolongation of oxygenation times for full oxygenation and to the insufficient release of macroscopic stresses. 211 low concentration regions and pores also enhance the oxygenation rate of YBCO bulks

  16. 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.

  17. 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

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

    KAUST Repository

    Xue, Zheng; Lu, Huijie; Liu, Wen-Tso

    2014-01-01

    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

  19. A new unbiased stochastic derivative estimator for discontinuous sample performances with structural parameters

    NARCIS (Netherlands)

    Peng, Yijie; Fu, Michael C.; Hu, Jian Qiang; Heidergott, Bernd

    In this paper, we propose a new unbiased stochastic derivative estimator in a framework that can handle discontinuous sample performances with structural parameters. This work extends the three most popular unbiased stochastic derivative estimators: (1) infinitesimal perturbation analysis (IPA), (2)

  20. Large area bulk superconductors

    Science.gov (United States)

    Miller, Dean J.; Field, Michael B.

    2002-01-01

    A bulk superconductor having a thickness of not less than about 100 microns is carried by a polycrystalline textured substrate having misorientation angles at the surface thereof not greater than about 15.degree.; the bulk superconductor may have a thickness of not less than about 100 microns and a surface area of not less than about 50 cm.sup.2. The textured substrate may have a thickness not less than about 10 microns and misorientation angles at the surface thereof not greater than about 15.degree.. Also disclosed is a process of manufacturing the bulk superconductor and the polycrystalline biaxially textured substrate material.

  1. 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.

  2. Sampling Enrichment toward Target Structures Using Hybrid Molecular Dynamics-Monte Carlo Simulations.

    Directory of Open Access Journals (Sweden)

    Kecheng Yang

    Full Text Available Sampling enrichment toward a target state, an analogue of the improvement of sampling efficiency (SE, is critical in both the refinement of protein structures and the generation of near-native structure ensembles for the exploration of structure-function relationships. We developed a hybrid molecular dynamics (MD-Monte Carlo (MC approach to enrich the sampling toward the target structures. In this approach, the higher SE is achieved by perturbing the conventional MD simulations with a MC structure-acceptance judgment, which is based on the coincidence degree of small angle x-ray scattering (SAXS intensity profiles between the simulation structures and the target structure. We found that the hybrid simulations could significantly improve SE by making the top-ranked models much closer to the target structures both in the secondary and tertiary structures. Specifically, for the 20 mono-residue peptides, when the initial structures had the root-mean-squared deviation (RMSD from the target structure smaller than 7 Å, the hybrid MD-MC simulations afforded, on average, 0.83 Å and 1.73 Å in RMSD closer to the target than the parallel MD simulations at 310K and 370K, respectively. Meanwhile, the average SE values are also increased by 13.2% and 15.7%. The enrichment of sampling becomes more significant when the target states are gradually detectable in the MD-MC simulations in comparison with the parallel MD simulations, and provide >200% improvement in SE. We also performed a test of the hybrid MD-MC approach in the real protein system, the results showed that the SE for 3 out of 5 real proteins are improved. Overall, this work presents an efficient way of utilizing solution SAXS to improve protein structure prediction and refinement, as well as the generation of near native structures for function annotation.

  3. 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.

  4. 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....

  5. Effect of rare earth substitution in cobalt ferrite bulk materials

    International Nuclear Information System (INIS)

    Bulai, G.; Diamandescu, L.; Dumitru, I.; Gurlui, S.; Feder, M.; Caltun, O.F.

    2015-01-01

    The study was focused on the influence of small amounts of rare earth (RE=La, Ce, Sm, Gd, Dy, Ho, Er, Yb) addition on the microstructure, phase content and magnetic properties of cobalt ferrite bulk materials. The X-Ray diffraction measurements confirmed the formation of the spinel structure but also the presence of secondary phases of RE oxides or orthoferrite in small percentages (up to 3%). Density measurements obtained by Archimedes method revealed a ~1 g cm −3 decrease for the RE doped cobalt ferrite samples compared with stoichiometric one. Both the Mössbauer and Fourier Transform Infrared Spectrocopy analysis results confirmed the formation of the spinel phase. The saturation magnetization and coercive field values of the doped samples obtained by Vibrating Sample Magnetometry were close to those of the pure cobalt ferrite. For magnetostrictive property studies the samples were analyzed using the strain gauge method. Higher maximum magnetostriction coefficients were found for the Ho, Ce, Sm and Yb doped cobalt ferrite bulk materials as related to the stoichiometric CoFe 2 O 4 sample. Moreover, improved strain derivative was observed for these samples but at higher magnetic fields due to the low increase of the coercive field values for doped samples. - Highlights: • Substitution by a large number of rare earth elements was investigated. • First reported results on magnetostriction measurements of RE doped cobalt ferrite. • The doped samples presented an increased porosity and a decreased grain size. • Increased magnetostrctive response was observed for several doped samples

  6. Approximation of the Monte Carlo Sampling Method for Reliability Analysis of Structures

    Directory of Open Access Journals (Sweden)

    Mahdi Shadab Far

    2016-01-01

    Full Text Available Structural load types, on the one hand, and structural capacity to withstand these loads, on the other hand, are of a probabilistic nature as they cannot be calculated and presented in a fully deterministic way. As such, the past few decades have witnessed the development of numerous probabilistic approaches towards the analysis and design of structures. Among the conventional methods used to assess structural reliability, the Monte Carlo sampling method has proved to be very convenient and efficient. However, it does suffer from certain disadvantages, the biggest one being the requirement of a very large number of samples to handle small probabilities, leading to a high computational cost. In this paper, a simple algorithm was proposed to estimate low failure probabilities using a small number of samples in conjunction with the Monte Carlo method. This revised approach was then presented in a step-by-step flowchart, for the purpose of easy programming and implementation.

  7. Refinement of NMR structures using implicit solvent and advanced sampling techniques.

    Science.gov (United States)

    Chen, Jianhan; Im, Wonpil; Brooks, Charles L

    2004-12-15

    NMR biomolecular structure calculations exploit simulated annealing methods for conformational sampling and require a relatively high level of redundancy in the experimental restraints to determine quality three-dimensional structures. Recent advances in generalized Born (GB) implicit solvent models should make it possible to combine information from both experimental measurements and accurate empirical force fields to improve the quality of NMR-derived structures. In this paper, we study the influence of implicit solvent on the refinement of protein NMR structures and identify an optimal protocol of utilizing these improved force fields. To do so, we carry out structure refinement experiments for model proteins with published NMR structures using full NMR restraints and subsets of them. We also investigate the application of advanced sampling techniques to NMR structure refinement. Similar to the observations of Xia et al. (J.Biomol. NMR 2002, 22, 317-331), we find that the impact of implicit solvent is rather small when there is a sufficient number of experimental restraints (such as in the final stage of NMR structure determination), whether implicit solvent is used throughout the calculation or only in the final refinement step. The application of advanced sampling techniques also seems to have minimal impact in this case. However, when the experimental data are limited, we demonstrate that refinement with implicit solvent can substantially improve the quality of the structures. In particular, when combined with an advanced sampling technique, the replica exchange (REX) method, near-native structures can be rapidly moved toward the native basin. The REX method provides both enhanced sampling and automatic selection of the most native-like (lowest energy) structures. An optimal protocol based on our studies first generates an ensemble of initial structures that maximally satisfy the available experimental data with conventional NMR software using a simplified

  8. 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...

  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. 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.

  11. 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.

  12. Non-Uniform Sampling and J-UNIO Automation for Efficient Protein NMR Structure Determination.

    Science.gov (United States)

    Didenko, Tatiana; Proudfoot, Andrew; Dutta, Samit Kumar; Serrano, Pedro; Wüthrich, Kurt

    2015-08-24

    High-resolution structure determination of small proteins in solution is one of the big assets of NMR spectroscopy in structural biology. Improvements in the efficiency of NMR structure determination by advances in NMR experiments and automation of data handling therefore attracts continued interest. Here, non-uniform sampling (NUS) of 3D heteronuclear-resolved [(1)H,(1)H]-NOESY data yielded two- to three-fold savings of instrument time for structure determinations of soluble proteins. With the 152-residue protein NP_372339.1 from Staphylococcus aureus and the 71-residue protein NP_346341.1 from Streptococcus pneumonia we show that high-quality structures can be obtained with NUS NMR data, which are equally well amenable to robust automated analysis as the corresponding uniformly sampled data. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. The impact of sample size and marker selection on the study of haplotype structures

    Directory of Open Access Journals (Sweden)

    Sun Xiao

    2004-03-01

    Full Text Available Abstract Several studies of haplotype structures in the human genome in various populations have found that the human chromosomes are structured such that each chromosome can be divided into many blocks, within which there is limited haplotype diversity. In addition, only a few genetic markers in a putative block are needed to capture most of the diversity within a block. There has been no systematic empirical study of the effects of sample size and marker set on the identified block structures and representative marker sets, however. The purpose of this study was to conduct a detailed empirical study to examine such impacts. Towards this goal, we have analysed three representative autosomal regions from a large genome-wide study of haplotypes with samples consisting of African-Americans and samples consisting of Japanese and Chinese individuals. For both populations, we have found that the sample size and marker set have significant impact on the number of blocks and the total number of representative markers identified. The marker set in particular has very strong impacts, and our results indicate that the marker density in the original datasets may not be adequate to allow a meaningful characterisation of haplotype structures. In general, we conclude that we need a relatively large sample size and a very dense marker panel in the study of haplotype structures in human populations.

  14. 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.

  15. Bayesian analysis of finite population sampling in multivariate co-exchangeable structures with separable covariance matric

    OpenAIRE

    Shaw, Simon C.; Goldstein, Michael

    2017-01-01

    We explore the effect of finite population sampling in design problems with many variables cross-classified in many ways. In particular, we investigate designs where we wish to sample individuals belonging to different groups for which the underlying covariance matrices are separable between groups and variables. We exploit the generalised conditional independence structure of the model to show how the analysis of the full model can be reduced to an interpretable series of lower dimensional p...

  16. 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...

  17. 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/.

  18. Bulk contribution to magnetotransport properties of low-defect-density Bi2Te3 topological insulator thin films

    Science.gov (United States)

    Ngabonziza, P.; Wang, Y.; Brinkman, A.

    2018-04-01

    An important challenge in the field of topological materials is to carefully disentangle the electronic transport contribution of the topological surface states from that of the bulk. For Bi2Te3 topological insulator samples, bulk single crystals and thin films exposed to air during fabrication processes are known to be bulk conducting, with the chemical potential in the bulk conduction band. For Bi2Te3 thin films grown by molecular beam epitaxy, we combine structural characterization (transmission electron microscopy), chemical surface analysis as function of time (x-ray photoelectron spectroscopy) and magnetotransport analysis to understand the low defect density and record high bulk electron mobility once charge is doped into the bulk by surface degradation. Carrier densities and electronic mobilities extracted from the Hall effect and the quantum oscillations are consistent and reveal a large bulk carrier mobility. Because of the cylindrical shape of the bulk Fermi surface, the angle dependence of the bulk magnetoresistance oscillations is two dimensional in nature.

  19. Superductile bulk metallic glass

    International Nuclear Information System (INIS)

    Yao, K.F.; Ruan, F.; Yang, Y.Q.; Chen, N.

    2006-01-01

    Usually, monolithic bulk metallic glasses undergo inhomogeneous plastic deformation and exhibit poor ductility (<2%) at room temperature. We report a newly developed Pd-Si binary bulk metallic glass, which exhibits a uniform plastic deformation and a large plastic engineering strain of 82% and a plastic true strain of 170%, together with initial strain hardening, slight strain softening and final strain hardening characteristics. The uniform shear deformation and the ultrahigh plasticity are mainly attributed to strain hardening, which results from the nanoscale inhomogeneity due to liquid phase separation. The formed nanoscale inhomogeneity will hinder, deflect, and bifurcate the propagation of shear bands

  20. Radiation effects in bulk and nanostructured silicon

    Energy Technology Data Exchange (ETDEWEB)

    Holmstrom, E.

    2012-07-01

    Understanding radiation effects in silicon (Si) is of great technological importance. The material, being the basis of modern semiconductor electronics and photonics, is subjected to radiation already at the processing stage, and in many applications throughout the lifetime of the manufactured component. Despite decades of research, many fundamental questions on the subject are still not satisfactorily answered, and new ones arise constantly as device fabrication shifts towards the nanoscale. In this study, methods of computational physics are harnessed to tackle basic questions on the radiation response of bulk and nanostructured Si systems, as well as to explain atomic-scale phenomena underlying existing experimental results. Empirical potentials and quantum mechanical models are coupled with molecular dynamics simulations to model the response of Si to irradiation and to characterize the created crystal damage. The threshold displacement energy, i.e., the smallest recoil energy required to create a lattice defect, is determined in Si bulk and nanowires, in the latter system also as a function of mechanical strain. It is found that commonly used values for this quantity are drastically underestimated. Strain on the nanowire causes the threshold energy to drop, with an effect on defect production that is significantly higher than in an another nanostructure with similar dimensions, the carbon nanotube. Simulating ion irradiation of Si nanowires reveals that the large surface area to volume ratio of the nanostructure causes up to a three-fold enhancement in defect production as compared to bulk Si. Amorphous defect clusters created by energetic neutron bombardment are predicted, on the basis of their electronic structure and abundance, to cause a deleterious phenomenon called type inversion in Si strip detectors in high-energy physics experiments. The thinning of Si lamellae using a focused ion beam is studied in conjunction with experiment to unravel the cause for

  1. 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...

  2. 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

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

    DEFF Research Database (Denmark)

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

    2017-01-01

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

  4. Auctioning Bulk Mobile Messages

    NARCIS (Netherlands)

    S. Meij (Simon); L-F. Pau (Louis-François); H.W.G.M. van Heck (Eric)

    2003-01-01

    textabstractThe search for enablers of continued growth of SMS traffic, as well as the take-off of the more diversified MMS message contents, open up for enterprises the potential of bulk use of mobile messaging , instead of essentially one-by-one use. In parallel, such enterprises or value added

  5. Diffusion or bulk flow

    DEFF Research Database (Denmark)

    Schulz, Alexander

    2015-01-01

    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...

  6. 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

  7. 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

  8. 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

  9. 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.

  10. Intrinsic spin polarized electronic structure of CrO2 epitaxial film revealed by bulk-sensitive spin-resolved photoemission spectroscopy

    International Nuclear Information System (INIS)

    Fujiwara, Hirokazu; Sunagawa, Masanori; Kittaka, Tomoko; Terashima, Kensei; Wakita, Takanori; Muraoka, Yuji; Yokoya, Takayoshi

    2015-01-01

    We have performed bulk-sensitive spin-resolved photoemission spectroscopy in order to clarify the intrinsic spin-resolved electronic states of half-metallic ferromagnet CrO 2 . We used CrO 2 epitaxial films on TiO 2 (100), which shows a peak at 1 eV with a clear Fermi edge, consistent with the bulk-sensitive PES spectrum for CrO 2 . In spin-resolved spectra at 40 K, while the Fermi edge was observed in the spin up (majority spin) state, no states at the Fermi level (E F ) with an energy gap of 0.5 eV below E F were observed in the spin down (minority spin) state. At 300 K, the gap in the spin down state closes. These results are consistent with resistivity measurements and magnetic hysteresis curves of the fabricated CrO 2 film, constituting spectroscopic evidence for the half-metallicity of CrO 2 at low temperature and reducing the spin polarization at room temperature. We also discuss the electron correlation effects of Cr 3d

  11. Transfer points of belt conveyors operating with unfavorable bulk

    Energy Technology Data Exchange (ETDEWEB)

    Goehring, H [Technische Universitaet, Dresden (German Democratic Republic)

    1989-06-01

    Describes design of belt conveyor chutes that transfer bulk of surface mines from one conveyor to another. Conveyor belt velocity is a significant parameter. Unfavorable chute design may lead to bulk flow congestion, bulk velocity losses etc. The bulk flow process is analyzed, bulk flow velocities, belt inclinations and bulk feeding from 2 conveyors into one chute are taken into account. Conventional chutes have parabolic belt impact walls. An improved version with divided impact walls is proposed that maintains a relatively high bulk velocity, reduces friction at chute walls and decreases wear and dirt build-up. Design of the improved chute is explained. It is built to adapt to existing structures without major modifications. The angle between 2 belt conveyors can be up to 90 degrees, the best bulk transfer is noted at conveyor angles below 60 degrees. Various graphs and schemes are provided. 6 refs.

  12. 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.

  13. 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.

  14. Evaluating the effect of disturbed ensemble distributions on SCFG based statistical sampling of RNA secondary structures

    Directory of Open Access Journals (Sweden)

    Scheid Anika

    2012-07-01

    Full Text Available Abstract Background Over the past years, statistical and Bayesian approaches have become increasingly appreciated to address the long-standing problem of computational RNA structure prediction. Recently, a novel probabilistic method for the prediction of RNA secondary structures from a single sequence has been studied which is based on generating statistically representative and reproducible samples of the entire ensemble of feasible structures for a particular input sequence. This method samples the possible foldings from a distribution implied by a sophisticated (traditional or length-dependent stochastic context-free grammar (SCFG that mirrors the standard thermodynamic model applied in modern physics-based prediction algorithms. Specifically, that grammar represents an exact probabilistic counterpart to the energy model underlying the Sfold software, which employs a sampling extension of the partition function (PF approach to produce statistically representative subsets of the Boltzmann-weighted ensemble. Although both sampling approaches have the same worst-case time and space complexities, it has been indicated that they differ in performance (both with respect to prediction accuracy and quality of generated samples, where neither of these two competing approaches generally outperforms the other. Results In this work, we will consider the SCFG based approach in order to perform an analysis on how the quality of generated sample sets and the corresponding prediction accuracy changes when different degrees of disturbances are incorporated into the needed sampling probabilities. This is motivated by the fact that if the results prove to be resistant to large errors on the distinct sampling probabilities (compared to the exact ones, then it will be an indication that these probabilities do not need to be computed exactly, but it may be sufficient and more efficient to approximate them. Thus, it might then be possible to decrease the worst

  15. 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.

    2012-01-01

    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. PMID:22480749

  16. 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

  17. Impact of Interface States and Bulk Carrier Lifetime on Photocapacitance of Metal/Insulator/GaN Structure for Ultraviolet Light Detection

    Science.gov (United States)

    Bidzinski, Piotr; Miczek, Marcin; Adamowicz, Boguslawa; Mizue, Chihoko; Hashizume, Tamotsu

    2011-04-01

    The influence of interface state density and bulk carrier lifetime on the dependencies of photocapacitance versus wide range of gate bias (-0.1 to -3 V) and light intensity (109 to 1020 photon cm-2 s-1) was studied for metal/insulator/n-GaN UV light photodetector by means of numerical simulations. The light detection limit and photocapacitance saturation were analyzed in terms of the interface charge and interface Fermi level for electrons and holes and effective interface recombination velocity. It was proven that the excess carrier recombination through interface states is the main reason of photocapacitance signal quenching. It was found that the photodetector can work in various modes (on-off or quantitative light measurement) adjusted by the gate bias. A comparison between experimental data and theoretical capacitance-light intensity characteristics was made. A new method for the determination of the interface state density distribution from capacitance-voltage-light intensity measurements was also proposed.

  18. Characterisation of bulk solids

    Energy Technology Data Exchange (ETDEWEB)

    D. McGlinchey [Glasgow Caledonian University, Glasgow (United Kingdom). Centre for Industrial Bulk Solids Handling

    2005-07-01

    Handling of powders and bulk solids is a critical industrial technology across a broad spectrum of industries, including minerals processing. With contributions from leading authors in their respective fields, this book provides the reader with a sound understanding of the techniques, importance and application of particulate materials characterisation. It covers the fundamental characteristics of individual particles and bulk particulate materials, and includes discussion of a wide range of measurement techniques, and the use of material characteristics in design and industrial practice. Contents: Characterising particle properties; Powder mechanics and rheology; Characterisation for hopper and stockpile design; Fluidization behaviour; Characterisation for pneumatic conveyor design; Explosiblility; 'Designer' particle characteristics; Current industrial practice; and Future trends. 130 ills.

  19. 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

  20. High spatial sampling global mode structure measurements via multichannel reflectometry in NSTX

    Energy Technology Data Exchange (ETDEWEB)

    Crocker, N A; Peebles, W A; Kubota, S; Zhang, J [Department of Physics and Astronomy, University of California-Los Angeles, Los Angeles, CA 90095-7099 (United States); Bell, R E; Fredrickson, E D; Gorelenkov, N N; LeBlanc, B P; Menard, J E; Podesta, M [Princeton Plasma Physics Laboratory, PO Box 451, Princeton, NJ 08543-0451 (United States); Sabbagh, S A [Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027 (United States); Tritz, K [Johns Hopkins University, Baltimore, MD 21218 (United States); Yuh, H [Nova Photonics, Princeton, NJ 08540 (United States)

    2011-10-15

    Global modes-including kinks and tearing modes (f <{approx} 50 kHz), toroidicity-induced Alfven eigenmodes (TAE; f {approx} 50-250 kHz) and global and compressional Alfven eigenmodes (GAE and CAE; f >{approx} 400 kHz)-play critical roles in many aspects of plasma performance. Their investigation on NSTX is aided by an array of fixed-frequency quadrature reflectometers used to determine their radial density perturbation structure. The array has been recently upgraded to 16 channels spanning 30-75 GHz (n{sub cutoff} = (1.1-6.9) x 10{sup 19} m{sup -3} in O-mode), improving spatial sampling and access to the core of H-mode plasmas. The upgrade has yielded significant new results that advance the understanding of global modes in NSTX. The GAE and CAE structures have been measured for the first time in the core of an NSTX high-power (6 MW) beam-heated H-mode plasma. The CAE structure is strongly core-localized, which has important implications for electron thermal transport. The TAE structure has been measured with greatly improved spatial sampling, and measurements of the TAE phase, the first in NSTX, show strong radial variation near the midplane, indicating radial propagation caused by non-ideal MHD effects. Finally, the tearing mode structure measurements provide unambiguous evidence of coupling to an external kink.

  1. Detecting spatial structures in throughfall data: The effect of extent, sample size, sampling design, and variogram estimation method

    Science.gov (United States)

    Voss, Sebastian; Zimmermann, Beate; Zimmermann, Alexander

    2016-09-01

    In the last decades, an increasing number of studies analyzed spatial patterns in throughfall by means of variograms. The estimation of the variogram from sample data requires an appropriate sampling scheme: most importantly, a large sample and a layout of sampling locations that often has to serve both variogram estimation and geostatistical prediction. While some recommendations on these aspects exist, they focus on Gaussian data and high ratios of the variogram range to the extent of the study area. However, many hydrological data, and throughfall data in particular, do not follow a Gaussian distribution. In this study, we examined the effect of extent, sample size, sampling design, and calculation method on variogram estimation of throughfall data. For our investigation, we first generated non-Gaussian random fields based on throughfall data with large outliers. Subsequently, we sampled the fields with three extents (plots with edge lengths of 25 m, 50 m, and 100 m), four common sampling designs (two grid-based layouts, transect and random sampling) and five sample sizes (50, 100, 150, 200, 400). We then estimated the variogram parameters by method-of-moments (non-robust and robust estimators) and residual maximum likelihood. Our key findings are threefold. First, the choice of the extent has a substantial influence on the estimation of the variogram. A comparatively small ratio of the extent to the correlation length is beneficial for variogram estimation. Second, a combination of a minimum sample size of 150, a design that ensures the sampling of small distances and variogram estimation by residual maximum likelihood offers a good compromise between accuracy and efficiency. Third, studies relying on method-of-moments based variogram estimation may have to employ at least 200 sampling points for reliable variogram estimates. These suggested sample sizes exceed the number recommended by studies dealing with Gaussian data by up to 100 %. Given that most previous

  2. 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.

  3. Structural features in Ni-Al alloys

    International Nuclear Information System (INIS)

    Abylkalykova, R.B.; Kveglis, L.I.; Rakhimova, U.A.; Nasokhova, Sh.B.; Tazhibaeva, G.B.

    2007-01-01

    Purpose of the work is study of structural transformations under diverse memory effect in Ni-Al alloys. Examination were conducted in following composition samples: Ni -75 at.% and Al - 25 at.%. The work is devoted to clarification reasons both formation atom-ordered structures in inter-grain boundaries of bulk samples under temperature action and static load. Revealed inter-grain inter-boundary layers in Ni-Al alloy both bulk and surface state have complicated structure

  4. Direct non-destructive observation of bulk nucleation in 30% deformed aluminum

    DEFF Research Database (Denmark)

    West, Stine; Schmidt, Søren; Sørensen, Henning Osholm

    2009-01-01

    A 30% deformed aluminum sample was mapped non-destructively using three-dimensional X-ray diffraction (3DXRD) before and after annealing to nucleation of recrystallization. Nuclei appeared in the bulk of the sample. Their positions and volumes were determined, and the crystallographic orientations...... were compared with the orientations of the deformed grains. It was found that nuclei with new orientations can form and their orientations have been related to the dislocation structure in the deformed grains....

  5. Paranoid Personality Has a Dimensional Latent Structure: Taxometric Analyses of Community and Clinical Samples

    OpenAIRE

    Edens, John F.; Marcus, David K.; Morey, Leslie C.

    2009-01-01

    Although paranoid personality is one of the most commonly diagnosed personality disorders and is associated with numerous negative life consequences, relatively little is known about the structural properties of this condition. This study examines whether paranoid personality traits represent a latent dimension or a discrete class (i.e., taxon). In study 1, we conducted taxometric analyses of paranoid personality disorder criteria in a sample of 731 patients participating in the Collaborative...

  6. Factor Structure, Internal Consistency, and Screening Sensitivity of the GARS-2 in a Developmental Disabilities Sample

    OpenAIRE

    Martin A. Volker; Elissa H. Dua; Christopher Lopata; Marcus L. Thomeer; Jennifer A. Toomey; Audrey M. Smerbeck; Jonathan D. Rodgers; Joshua R. Popkin; Andrew T. Nelson; Gloria K. Lee

    2016-01-01

    The Gilliam Autism Rating Scale-Second Edition (GARS-2) is a widely used screening instrument that assists in the identification and diagnosis of autism. The purpose of this study was to examine the factor structure, internal consistency, and screening sensitivity of the GARS-2 using ratings from special education teaching staff for a sample of 240 individuals with autism or other significant developmental disabilities. Exploratory factor analysis yielded a correlated three-factor solution si...

  7. Surface adsorption of lattice HP proteins: Thermodynamics and structural transitions using Wang-Landau sampling

    International Nuclear Information System (INIS)

    Li Yingwai; Landau, David P; Wüst, Thomas

    2012-01-01

    Wang-Landau sampling has been applied to investigate the thermodynamics and structural properties of a lattice hydrophobic-polar heteropolymer (the HP protein model) interacting with an attractive substrate. For simplicity, we consider a short HP sequence consisting of only 36 monomers interacting with a substrate which attracts all monomers in the sequence. The conformational “phase transitions” have been identified by a canonical analysis of the specific heat and suitable structural observables. Three major “transitions”, namely, adsorption, hydrophobic core formation and “flattening” of adsorbed structures, are observed. Depending on the surface attractive strength relative to the intra-protein attraction among the H monomers, these processes take place in different sequences upon cooling.

  8. 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

  9. 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.

  10. 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.

  11. 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.

  12. On the Structure of Cortical Microcircuits Inferred from Small Sample Sizes.

    Science.gov (United States)

    Vegué, Marina; Perin, Rodrigo; Roxin, Alex

    2017-08-30

    The structure in cortical microcircuits deviates from what would be expected in a purely random network, which has been seen as evidence of clustering. To address this issue, we sought to reproduce the nonrandom features of cortical circuits by considering several distinct classes of network topology, including clustered networks, networks with distance-dependent connectivity, and those with broad degree distributions. To our surprise, we found that all of these qualitatively distinct topologies could account equally well for all reported nonrandom features despite being easily distinguishable from one another at the network level. This apparent paradox was a consequence of estimating network properties given only small sample sizes. In other words, networks that differ markedly in their global structure can look quite similar locally. This makes inferring network structure from small sample sizes, a necessity given the technical difficulty inherent in simultaneous intracellular recordings, problematic. We found that a network statistic called the sample degree correlation (SDC) overcomes this difficulty. The SDC depends only on parameters that can be estimated reliably given small sample sizes and is an accurate fingerprint of every topological family. We applied the SDC criterion to data from rat visual and somatosensory cortex and discovered that the connectivity was not consistent with any of these main topological classes. However, we were able to fit the experimental data with a more general network class, of which all previous topologies were special cases. The resulting network topology could be interpreted as a combination of physical spatial dependence and nonspatial, hierarchical clustering. SIGNIFICANCE STATEMENT The connectivity of cortical microcircuits exhibits features that are inconsistent with a simple random network. Here, we show that several classes of network models can account for this nonrandom structure despite qualitative differences in

  13. The Structure of The Extended Psychosis Phenotype in Early Adolescence—A Cross-sample Replication

    Science.gov (United States)

    Wigman, Johanna T. W.; Vollebergh, Wilma A. M.; Raaijmakers, Quinten A. W.; Iedema, Jurjen; van Dorsselaer, Saskia; Ormel, Johan; Verhulst, Frank C.; van Os, Jim

    2011-01-01

    The extended psychosis phenotype, or the expression of nonclinical positive psychotic experiences, is already prevalent in adolescence and has a dose-response risk relationship with later psychotic disorder. In 2 large adolescent general population samples (n = 5422 and n = 2230), prevalence and structure of the extended psychosis phenotype was investigated. Positive psychotic experiences, broadly defined, were reported by the majority of adolescents. Exploratory analysis with Structural Equation Modelling (Exploratory Factor Analysis followed by Confirmatory Factor Analysis [CFA]) in sample 1 suggested that psychotic experiences were best represented by 5 underlying dimensions; CFA in sample 2 provided a replication of this model. Dimensions were labeled Hallucinations, Delusions, Paranoia, Grandiosity, and Paranormal beliefs. Prevalences differed strongly, Hallucinations having the lowest and Paranoia having the highest rates. Girls reported more experiences on all dimensions, except Grandiosity, and from age 12 to 16 years rates increased. Hallucinations, Delusions, and Paranoia, but not Grandiosity and Paranormal beliefs, were associated with distress and general measures of psychopathology. Thus, only some of the dimensions of the extended psychosis phenotype in young people may represent a continuum with more severe psychopathology and predict later psychiatric disorder. PMID:20044595

  14. 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.

  15. Gaussian process based intelligent sampling for measuring nano-structure surfaces

    Science.gov (United States)

    Sun, L. J.; Ren, M. J.; Yin, Y. H.

    2016-09-01

    Nanotechnology is the science and engineering that manipulate matters at nano scale, which can be used to create many new materials and devices with a vast range of applications. As the nanotech product increasingly enters the commercial marketplace, nanometrology becomes a stringent and enabling technology for the manipulation and the quality control of the nanotechnology. However, many measuring instruments, for instance scanning probe microscopy, are limited to relatively small area of hundreds of micrometers with very low efficiency. Therefore some intelligent sampling strategies should be required to improve the scanning efficiency for measuring large area. This paper presents a Gaussian process based intelligent sampling method to address this problem. The method makes use of Gaussian process based Bayesian regression as a mathematical foundation to represent the surface geometry, and the posterior estimation of Gaussian process is computed by combining the prior probability distribution with the maximum likelihood function. Then each sampling point is adaptively selected by determining the position which is the most likely outside of the required tolerance zone among the candidates and then inserted to update the model iteratively. Both simulationson the nominal surface and manufactured surface have been conducted on nano-structure surfaces to verify the validity of the proposed method. The results imply that the proposed method significantly improves the measurement efficiency in measuring large area structured surfaces.

  16. Repeatability of differential goat bulk milk culture and associations with somatic cell count, total bacterial count, and standard plate count

    OpenAIRE

    Koop, G.; Dik, N.; Nielen, M.; Lipman, L.J.A.

    2010-01-01

    The aims of this study were to assess how different bacterial groups in bulk milk are related to bulk milk somatic cell count (SCC), bulk milk total bacterial count (TBC), and bulk milk standard plate count (SPC) and to measure the repeatability of bulk milk culturing. On 53 Dutch dairy goat farms, 3 bulk milk samples were collected at intervals of 2 wk. The samples were cultured for SPC, coliform count, and staphylococcal count and for the presence of Staphylococcus aureus. Furthermore, SCC ...

  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. 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

    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......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...... information about the sample's sex ratio, if known. Material and methods: Three measurements useful for estimating the sex of adult skeletons, the humeral and femoral head diameters and the humeral epicondylar breadth, were collected from 258 Americans born between 1893 and 1980 who died within the past...

  19. 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.

  20. 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...

  1. Bulk sensitive hard x-ray photoemission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Patt, M., E-mail: m.patt@fz-juelich.de; Wiemann, C. [Peter Grünberg Institute (PGI-6) and JARA-FIT, Research Center Jülich, D-52425 Jülich (Germany); Weber, N.; Escher, M.; Merkel, M. [Focus GmbH, Neukirchner Str. 2, D-65510 Hünstetten (Germany); Gloskovskii, A.; Drube, W. [DESY Photon Science, Deutsches Elektronen-Synchrotron, D-22603 Hamburg (Germany); Schneider, C. M. [Peter Grünberg Institute (PGI-6) and JARA-FIT, Research Center Jülich, D-52425 Jülich (Germany); Fakultät f. Physik and Center for Nanointegration Duisburg-Essen (CeNIDE), Universität Duisburg-Essen, D-47048 Duisburg (Germany)

    2014-11-15

    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 SrTiO{sub 3} 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.

  2. 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.

  3. 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

  4. 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.

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

    DEFF Research Database (Denmark)

    Andreetta, Christian

    -likelihood estimators for the form factors employed in the Debye formula, a theoretical forward model for SAXS profiles. The resulting computation compares favorably with the state of the art tool in the field, the program CRYSOL in the suite ATSAS. A faster, parallel implementation on Graphical Processor Units (GPUs......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...

  6. 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.

  7. Electronic structure of Pd42.5Ni7.5Cu30P20, an excellent bulk metallic glass former: Comparison to the Pd40Ni40P20 reference glass

    International Nuclear Information System (INIS)

    Hosokawa, S.; Sato, H.; Happo, N.; Mimura, K.; Tezuka, Y.; Ichitsubo, T.; Matsubara, E.; Nishiyama, N.

    2007-01-01

    In-house photoemission and inverse-photoemission spectra (PES and IPES) were measured on Pd 42.5 Ni 7.5 Cu 30 P 20 and Pd 40 Ni 40 P 20 bulk metallic glasses in order to clarify the origin of excellent glass-forming ability from the viewpoint of electronic structure. Minima are observed for both the metallic glasses at a slightly higher energy than the Fermi level. Incident photon-energy dependent PES spectra were obtained using synchrotron radiation and the Pd 4d partial density of states (DOS) was estimated from the PES data. Soft X-ray emission spectra were also measured near the Ni and Cu 2p 3/2 absorption edges to evaluate, respectively, the Ni and Cu 3d partial DOS in the valence band. The Pd 4d and the Ni and Cu 3d partials in the conduction band were obtained from X-ray absorption spectra around the Pd 3p 3/2 and Ni and Cu 2p 3/2 absorption edges, respectively. It was found that the Pd 4d partial DOS near the Fermi energy largely decreases and becomes localized by replacing the Ni atoms with the Cu atoms, which may be closely related to the excellent glass-forming ability of the Pd 42.5 Ni 7.5 Cu 30 P 20 bulk metallic glass due to a selective formation of Pd-P covalent bonds

  8. 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.

  9. 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.

  10. Raman characterization of bulk ferromagnetic nanostructured graphite

    International Nuclear Information System (INIS)

    Pardo, Helena; Divine Khan, Ngwashi; Faccio, Ricardo; Araújo-Moreira, F.M.; Fernández-Werner, Luciana

    2012-01-01

    Raman spectroscopy was used to characterize bulk ferromagnetic graphite samples prepared by controlled oxidation of commercial pristine graphite powder. The G:D band intensity ratio, the shape and position of the 2D band and the presence of a band around 2950 cm -1 showed a high degree of disorder in the modified graphite sample, with a significant presence of exposed edges of graphitic planes as well as a high degree of attached hydrogen atoms.

  11. Theory of bulk-surface coupling in topological insulator films

    Science.gov (United States)

    Saha, Kush; Garate, Ion

    2014-12-01

    We present a quantitative microscopic theory of the disorder- and phonon-induced coupling between surface and bulk states in doped topological insulator films. We find a simple mathematical structure for the surface-to-bulk scattering matrix elements and confirm the importance of bulk-surface coupling in transport and photoemission experiments, assessing its dependence on temperature, carrier density, film thickness, and particle-hole asymmetry.

  12. 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.

  13. 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.

  14. Impact of ambient environment on the electronic structure of CuPc/Au sample

    Science.gov (United States)

    Sinha, Sumona; Mukherjee, M.

    2018-02-01

    The performances of organic devices are crucially connected with their stability in the ambient environment. The impact of 24 h. Ambient environment exposure to the electronic structures of about 12 nm thick CuPc thin film on clean Au substrate have been studied employing UV photoemission spectroscopy technique. X-ray photoemission spectroscopy (XPS) was used to find out the origin of the change of the electronic structures in the sample with the exposure. The XPS study suggests that the oxidation occurs at the CuPc thin film. Due to the adsorption of oxygen in the CuPc film from the ambient air, charge carriers are formed within the CuPc film. Moreover, the XPS results imply that the CuPc film is sufficiently thinner for diffusing oxygen molecules through it and gets physically absorbed on Au substrate during the ambient exposure. Consequently, the hole injection barrier height of pristine CuPc film, grown on Au substrate, is reduced by about 0.50 eV and work-function of the pristine CuPc sample is enhanced by around 0.25 eV in the exposure. The findings will help to understand the mechanism that governs the degradation of performance of CuPc based devices in ambient environment.

  15. Thermodynamic and structural models compared with the initial dissolution rates of SON glass samples

    International Nuclear Information System (INIS)

    Tovena, I.; Advocat, T.; Ghaleb, D.; Vernaz, E.

    1993-01-01

    The experimentally determined initial dissolution rate R 0 of nuclear glass was correlated with thermodynamic parameters and structural parameters. The initial corrosion rates of six ''R7T7'' glass samples measured at 100 deg C in a Soxhlet device were correlated with the glass free hydration energy and the glass formation enthalpy. These correlations were then tested with a group of 26 SON glasses selected for their wide diversity of compositions. The thermodynamic models provided a satisfactory approximation of the initial dissolution rate determined under Soxhlet conditions for SON glass samples that include up to 15 wt% of boron and some alumina. Conversely, these models are inaccurate if the boron concentration exceeds 15 wt% and the glass contains no alumina. Possible correlations between R 0 and structural parameters, such as the boron coordination number and the number of nonbridging oxygen atoms, were also investigated. The authors show that R 0 varies inversely with the number of 4-coordinate boron atoms; conversely, the results do not substantiate published reports of a correlation between R 0 and the number of nonbridging oxygen atoms. (authors). 13 refs., 2 figs., 4 tabs

  16. 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. .

  17. 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.

  18. Accelerating universes driven by bulk particles

    International Nuclear Information System (INIS)

    Brito, F.A.; Cruz, F.F.; Oliveira, J.F.N.

    2005-01-01

    We consider our universe as a 3d domain wall embedded in a 5d dimensional Minkowski space-time. We address the problem of inflation and late time acceleration driven by bulk particles colliding with the 3d domain wall. The expansion of our universe is mainly related to these bulk particles. Since our universe tends to be permeated by a large number of isolated structures, as temperature diminishes with the expansion, we model our universe with a 3d domain wall with increasing internal structures. These structures could be unstable 2d domain walls evolving to fermi-balls which are candidates to cold dark matter. The momentum transfer of bulk particles colliding with the 3d domain wall is related to the reflection coefficient. We show a nontrivial dependence of the reflection coefficient with the number of internal dark matter structures inside the 3d domain wall. As the population of such structures increases the velocity of the domain wall expansion also increases. The expansion is exponential at early times and polynomial at late times. We connect this picture with string/M-theory by considering BPS 3d domain walls with structures which can appear through the bosonic sector of a five-dimensional supergravity theory

  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. 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

  1. 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

  2. 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

  3. 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.

  4. 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.

  5. 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.

  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. 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

  8. 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

  9. Bulk density calculations from prompt gamma ray yield

    International Nuclear Information System (INIS)

    Naqvi, A.A.; Nagadi, M.M.; Al-Amoudi, O.S.B.; Maslehuddin, M.

    2006-01-01

    Full text: The gamma ray yield from a Prompt Gamma ray Neutron Activation Analysis (PGNAA) setup is a linear function of element concentration and neutron flux in a the sample with constant bulk density. If the sample bulk density varies as well, then the element concentration and the neutron flux has a nonlinear correlation with the gamma ray yield [1]. The measurement of gamma ray yield non-linearity from samples and a standard can be used to estimate the bulk density of the samples. In this study the prompt gamma ray yield from Blast Furnace Slag, Fly Ash, Silica Fumes and Superpozz cements samples have been measured as a function of their calcium and silicon concentration using KFUPM accelerator-based PGNAA setup [2]. Due to different bulk densities of the blended cement samples, the measured gamma ray yields have nonlinear correlation with calcium and silicon concentration of the samples. The non-linearity in the yield was observed to increase with gamma rays energy and element concentration. The bulk densities of the cement samples were calculated from ratio of gamma ray yield from blended cement and that from a Portland cement standard. The calculated bulk densities have good agreement with the published data. The result of this study will be presented

  10. 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.

  11. 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

  12. Comparison of FTIR Spectra of Bulk and Acid Residual Organic Matter in Chondrites

    Science.gov (United States)

    Kebukawa, Y.; Alexander, C. M. O'D.; Cody, G. D.

    2013-09-01

    We compared infrared spectra of bulk meteorites and IOM. The CH_2/CH_3 ratios show some difference between bulk samples and IOM, but there is no systematic correlation with chondrite groups or petrologic type.

  13. Population structure of Legionella spp. from environmental samples in Gabon, 2013.

    Science.gov (United States)

    Ehrhardt, Jonas; Alabi, Abraham S; Kuczius, Thorsten; Tsombeng, Francis Foguim; Becker, Karsten; Kremsner, Peter G; Schaumburg, Frieder; Esen, Meral

    2015-07-01

    Aquatic environments are the most important source for Legionella spp. infections such as Legionnaires' disease and Pontiac fever. The reservoirs of Legionella spp. are mostly unclear in sub-Saharan Africa. The aim of this study, conducted in 2013, was to identify geographical areas of an increased risk for exposure to Legionella spp., and to describe the population structure of Legionella spp. from different water sources in a cross-sectional study in Gabon. Fresh water samples (n = 200) were cultured on Legionella selective agar; species were confirmed by MALDI-TOF, a Legionella pneumophila specific real-time PCR and 16S RNA gene sequencing. Serogroups were identified by agglutination test. The population structure was assessed by multilocus sequence typing (MLST). Legionella spp. isolates (n = 29) were frequently found in the hospital setting particularly in hot water systems. Open water bodies (i.e. rivers, lakes) were not contaminated with Legionella spp. Isolated L. pneumophila mainly belonged to serogroups 2-14 (n = 19) and MLST sequence type ST1, ST75 (and related STs) and ST1911. In conclusion, hospitalized patients might have an increased risk to become infected with Legionella spp. in the studied areas in Gabon, particularly if they have risk factors such as comorbidities. Both broadly extended (ST1, ST75) and local lineages (ST1911) were present in our setting. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Effects of copper excess and copper deficiency on the structural and electrical properties of bulk Cu{sub x}SnSe{sub 3} with x=1.6–2.2

    Energy Technology Data Exchange (ETDEWEB)

    Wubet, Walelign; Kuo, Dong-Hau, E-mail: dhkuo@mail.ntust.edu.tw

    2015-03-15

    Effects of the Cu variation on the morphological, structural, and electrical properties of bulk Cu{sub x}SnSe{sub 3} (CTSe) with x=1.6–2.2 have been investigated. Dense CTSe pellets with grains of 3–4 µm were obtained after sintering at 550 °C. All CTSe pellets showed a dominant p-type behavior. CTSe at x=2.0 with a hole concentration (n{sub p}) of 1.02×10{sup 18} cm{sup −3} and Hall mobility (μ) of 225 cm{sup 2}/V/s had a highest conductivity (σ) of 39 S/cm. CTSe at x=1.6 with n{sub p} of 5.0×10{sup 17} cm{sup −3} and of 11 cm{sup 2}/V/s had a lowest of 0.90 S/cm. The explanation, based upon vacancies and antisite defects, for the changes in electrical property with the Cu content is supported by the data from lattice parameter. The study in bulk properties of CTSe and its defects is helpful for selecting the suitable absorber composition to fabricate thin film solar cells. - Graphical abstract: Cu{sub 2}SnSe{sub 3} is an absorber candidate for solar cells. The Cu stoichiometry on electrical properties, which is important for CIGS and CZTS, is investigated and the Cu-deficiency composition is recommended. - Highlights: • Cu{sub x}SnSe{sub 3} (CTSe) bulks with 1.6≤x≤2.2 were prepared by reactive sintering. • Cu{sub 2}SnSe{sub 3} with n{sub p} of 1.02×10{sup 18} cm{sup −3} and μ of 225 cm{sup 2}/V/s had highest σ of 39 S/cm. • Cu{sub 1.6}SnSe{sub 3} with n{sub p}=5.0×10{sup 17} cm{sup −3} and μ=11 cm{sup 2}/V/s had lowest σ=0.90 S/cm. • Lower n{sub p} at CTSe at x=1.6 is related to the formation of the Sn-to-Cu defect. • The drop in n{sub p} for CTSe at x=2.2 indicates V{sub Sn}{sup 4−} dominates over Cu{sub Sn}{sup 3−} defect.

  15. Mechanical properties of Fe-Ni-Cr-Si-B bulk glassy alloy

    International Nuclear Information System (INIS)

    Lee, Kee Ahn; Kim, Yong Chan; Kim, Jung Han; Lee, Chong Soo; Namkung, Jung; Kim, Moon Chul

    2007-01-01

    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

  16. 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.

  17. A Micromachined Capacitive Pressure Sensor Using a Cavity-Less Structure with Bulk-Metal/Elastomer Layers and Its Wireless Telemetry Application

    Directory of Open Access Journals (Sweden)

    Yogesh B. Gianchandani

    2008-04-01

    Full Text Available This paper reports a micromachined capacitive pressure sensor intended for applications that require mechanical robustness. The device is constructed with two micromachined metal plates and an intermediate polymer layer that is soft enough to deform in a target pressure range. The plates are formed of micromachined stainless steel fabricated by batch-compatible micro-electro-discharge machining. A polyurethane roomtemperature- vulcanizing liquid rubber of 38-μm thickness is used as the deformable material. This structure eliminates both the vacuum cavity and the associated lead transfer challenges common to micromachined capacitive pressure sensors. For frequency-based interrogation of the capacitance, passive inductor-capacitor tanks are fabricated by combining the capacitive sensor with an inductive coil. The coil has 40 turns of a 127-μmdiameter copper wire. Wireless sensing is demonstrated in liquid by monitoring the variation in the resonant frequency of the tank via an external coil that is magnetically coupled with the tank. The sensitivity at room temperature is measured to be 23-33 ppm/KPa over a dynamic range of 340 KPa, which is shown to match a theoretical estimation. Temperature dependence of the tank is experimentally evaluated.

  18. Structural, optical and photovoltaic properties of P3HT and Mn-doped CdS quantum dots based bulk hetrojunction hybrid layers

    Science.gov (United States)

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

    2018-04-01

    Cadmium sulphide (CdS) and Mn-doped CdS nanocrystals were synthesized by co-precipitation method. The nanocrystals were characterized by Fluorescence, Fourier Transformed Infra-red Spectrometer (FTIR), UV-Visible, X-ray diffraction (XRD), X-ray photoelectron spectrometer (XPS), Field Emission Scanning Electron Microscope (FESEM), and High Resolution Transmission Electron Microscope (HRTEM). A considerable blue shift of absorption band with respect to the cadmium sulphide was observed by the Mn concentration (0.5 M) in the doped sample with decreasing the size of nanocrystals. Other reason for this may be Mn doping. Subsequently the band gap was altered from 2.11 to 2.21 eV due to quantum confinement effect. Scanning electron microscope supplemented with EDAX was operated to find grain size and chemical composition of the synthesized nanomaterials. The PL spectrum of Mn-doped CdS nanocrystals displays three PL bands the first one, within the range of 500 nm and the second band at 537 nm, and the third one around 713 nm is labelled red band emission due to attributed to a 4T1→6A1 transition within the 3d shell of divalent manganese. XRD analysis showed that the material was in cubic crystalline state. A comparative study of surfaces of un-doped and metal doped CdS nanocrystals were investigated using X-ray Photoelectron Spectroscopy (XPS). The synthesized nanomaterial in combination with polymer, poly (3-hexyl thiophene) was operated in the construction of photovoltaic cells. The photovoltaic devices with CdS nanocrystals exhibited power conversion efficiency of 0.34% without annealing and 0.38% with annealing. However, the power conversion efficiency was enhanced by a factor of 0.35 without annealing and 0.42 with annealing with corporation of Mn impurity in CdS lattice. Atomic Force Microscopy was employed for morphology and packing behavior of blend of nanocrystals with organic polymer.

  19. Imaging of surface spin textures on bulk crystals by scanning electron microscopy

    Science.gov (United States)

    Akamine, Hiroshi; Okumura, So; Farjami, Sahar; Murakami, Yasukazu; Nishida, Minoru

    2016-11-01

    Direct observation of magnetic microstructures is vital for advancing spintronics and other technologies. Here we report a method for imaging surface domain structures on bulk samples by scanning electron microscopy (SEM). Complex magnetic domains, referred to as the maze state in CoPt/FePt alloys, were observed at a spatial resolution of less than 100 nm by using an in-lens annular detector. The method allows for imaging almost all the domain walls in the mazy structure, whereas the visualisation of the domain walls with the classical SEM method was limited. Our method provides a simple way to analyse surface domain structures in the bulk state that can be used in combination with SEM functions such as orientation or composition analysis. Thus, the method extends applications of SEM-based magnetic imaging, and is promising for resolving various problems at the forefront of fields including physics, magnetics, materials science, engineering, and chemistry.

  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. Pseudopotentials for calculating the bulk and surface properties of solids

    International Nuclear Information System (INIS)

    Cohen, M.L.

    1983-01-01

    A survey is presented describing research in condensed matter physics using pseudopotentials to calculate electronic, structural, and vibrational properties of solids. Semiconductors are emphasized, and both bulk and surface calculations are discussed. (author) [pt

  2. 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

  3. 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

  4. Structure of the Wechsler Intelligence Scale for Children-Fourth Edition among a National Sample of Referred Students

    Science.gov (United States)

    Watkins, Marley W.

    2010-01-01

    The structure of the Wechsler Intelligence Scale for Children-Fourth Edition (WISC-IV; D. Wechsler, 2003a) was analyzed via confirmatory factor analysis among a national sample of 355 students referred for psychoeducational evaluation by 93 school psychologists from 35 states. The structure of the WISC-IV core battery was best represented by four…

  5. 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.

  6. Factor Structure, Internal Consistency, and Screening Sensitivity of the GARS-2 in a Developmental Disabilities Sample

    Directory of Open Access Journals (Sweden)

    Martin A. Volker

    2016-01-01

    Full Text Available The Gilliam Autism Rating Scale-Second Edition (GARS-2 is a widely used screening instrument that assists in the identification and diagnosis of autism. The purpose of this study was to examine the factor structure, internal consistency, and screening sensitivity of the GARS-2 using ratings from special education teaching staff for a sample of 240 individuals with autism or other significant developmental disabilities. Exploratory factor analysis yielded a correlated three-factor solution similar to that found in 2005 by Lecavalier for the original GARS. Though the three factors appeared to be reasonably consistent with the intended constructs of the three GARS-2 subscales, the analysis indicated that more than a third of the GARS-2 items were assigned to the wrong subscale. Internal consistency estimates met or exceeded standards for screening and were generally higher than those in previous studies. Screening sensitivity was .65 and specificity was .81 for the Autism Index using a cut score of 85. Based on these findings, recommendations are made for instrument revision.

  7. Mining the bulk positron lifetime

    International Nuclear Information System (INIS)

    Aourag, H.; Guittom, A.

    2009-01-01

    We introduce a new approach to investigate the bulk positron lifetimes of new systems based on data-mining techniques. Through data mining of bulk positron lifetimes, we demonstrate the ability to predict the positron lifetimes of new semiconductors on the basis of available semiconductor data already studied. Informatics techniques have been applied to bulk positron lifetimes for different tetrahedrally bounded semiconductors in order to discover computational design rules. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. 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)

  9. 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

  10. 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.

  11. 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

  12. Integration of bulk piezoelectric materials into microsystems

    Science.gov (United States)

    Aktakka, Ethem Erkan

    Bulk piezoelectric ceramics, compared to deposited piezoelectric thin-films, provide greater electromechanical coupling and charge capacity, which are highly desirable in many MEMS applications. In this thesis, a technology platform is developed for wafer-level integration of bulk piezoelectric substrates on silicon, with a final film thickness of 5-100microm. The characterized processes include reliable low-temperature (200°C) AuIn diffusion bonding and parylene bonding of bulk-PZT on silicon, wafer-level lapping of bulk-PZT with high-uniformity (+/-0.5microm), and low-damage micro-machining of PZT films via dicing-saw patterning, laser ablation, and wet-etching. Preservation of ferroelectric and piezoelectric properties is confirmed with hysteresis and piezo-response measurements. The introduced technology offers higher material quality and unique advantages in fabrication flexibility over existing piezoelectric film deposition methods. In order to confirm the preserved bulk properties in the final film, diaphragm and cantilever beam actuators operating in the transverse-mode are designed, fabricated and tested. The diaphragm structure and electrode shapes/sizes are optimized for maximum deflection through finite-element simulations. During tests of fabricated devices, greater than 12microm PP displacement is obtained by actuation of a 1mm2 diaphragm at 111kHz with integration of a 50-80% efficient power management IC, which incorporates a supply-independent bias circuitry, an active diode for low-dropout rectification, a bias-flip system for higher efficiency, and a trickle battery charger. The overall system does not require a pre-charged battery, and has power consumption of <1microW in active-mode (measured) and <5pA in sleep-mode (simulated). Under lg vibration at 155Hz, a 70mF ultra-capacitor is charged from OV to 1.85V in 50 minutes.

  13. 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.

  14. 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.

  15. 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.)

  16. Bulk viscosity of spin-one color superconductors

    International Nuclear Information System (INIS)

    Sa'd, Basil A.

    2009-01-01

    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.)

  17. 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.

  18. Nonlinear AC susceptibility, surface and bulk shielding

    Science.gov (United States)

    van der Beek, C. J.; Indenbom, M. V.; D'Anna, G.; Benoit, W.

    1996-02-01

    We calculate the nonlinear AC response of a thin superconducting strip in perpendicular field, shielded by an edge current due to the geometrical barrier. A comparison with the results for infinite samples in parallel field, screened by a surface barrier, and with those for screening by a bulk current in the critical state, shows that the AC response due to a barrier has general features that are independent of geometry, and that are significantly different from those for screening by a bulk current in the critical state. By consequence, the nonlinear (global) AC susceptibility can be used to determine the origin of magnetic irreversibility. A comparison with experiments on a Bi 2Sr 2CaCu 2O 8+δ crystal shows that in this material, the low-frequency AC screening at high temperature is mainly due to the screening by an edge current, and that this is the unique source of the nonlinear magnetic response at temperatures above 40 K.

  19. Effects of sintering conditions on critical current properties and microstructures of MgB2 bulks

    International Nuclear Information System (INIS)

    Yamamoto, Akiyasu; Shimoyama, Jun-ichi; Ueda, Shinya; Katsura, Yukari; Iwayama, Isao; Horii, Shigeru; Kishio, Kohji

    2005-01-01

    The effects of heating conditions on critical current properties and microstructures of undoped MgB 2 bulks were systematically studied. Strong correlation was observed between J c and microstructures. The network structure with an excellent inter-grain connectivity of MgB 2 grains contributed to high-J c under low magnetic fields, and small grain size of MgB 2 enhanced the grain boundary flux pinning. Long time heating at low temperatures below the melting point of magnesium was discovered to be most effective for synthesis of MgB 2 bulks having strongly connected MgB 2 network structure with small grains. The sample heated at 550 deg. C for 1200 h recorded a high-J c of 4.02 x 10 5 A cm -2 at 20 K in self-field, while high-temperature and long time heating brought a significant grain growth which resulted in low J c

  20. Influences of sampling effort on detected patterns and structuring processes of a Neotropical plant-hummingbird network.

    Science.gov (United States)

    Vizentin-Bugoni, Jeferson; Maruyama, Pietro K; Debastiani, Vanderlei J; Duarte, L da S; Dalsgaard, Bo; Sazima, Marlies

    2016-01-01

    Virtually all empirical ecological interaction networks to some extent suffer from undersampling. However, how limitations imposed by sampling incompleteness affect our understanding of ecological networks is still poorly explored, which may hinder further advances in the field. Here, we use a plant-hummingbird network with unprecedented sampling effort (2716 h of focal observations) from the Atlantic Rainforest in Brazil, to investigate how sampling effort affects the description of network structure (i.e. widely used network metrics) and the relative importance of distinct processes (i.e. species abundances vs. traits) in determining the frequency of pairwise interactions. By dividing the network into time slices representing a gradient of sampling effort, we show that quantitative metrics, such as interaction evenness, specialization (H2 '), weighted nestedness (wNODF) and modularity (Q; QuanBiMo algorithm) were less biased by sampling incompleteness than binary metrics. Furthermore, the significance of some network metrics changed along the sampling effort gradient. Nevertheless, the higher importance of traits in structuring the network was apparent even with small sampling effort. Our results (i) warn against using very poorly sampled networks as this may bias our understanding of networks, both their patterns and structuring processes, (ii) encourage the use of quantitative metrics little influenced by sampling when performing spatio-temporal comparisons and (iii) indicate that in networks strongly constrained by species traits, such as plant-hummingbird networks, even small sampling is sufficient to detect their relative importance for the frequencies of interactions. Finally, we argue that similar effects of sampling are expected for other highly specialized subnetworks. © 2015 The Authors. Journal of Animal Ecology © 2015 British Ecological Society.

  1. 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.

  2. 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.

  3. Bulk nanoscale materials in steel products

    International Nuclear Information System (INIS)

    Chehab, B; Wang, X; Masse, J-P; Zurob, H; Embury, D; Bouaziz, O

    2010-01-01

    Although a number of nanoscale metallic materials exhibit interesting mechanical properties the fabrication paths are often complex and difficult to apply to bulk structural materials. However a number of steels which exhibit combinations of plasticity and phase transitions can be deformed to produce ultra high strength levels in the range 1 to 3 GPa. The resultant high stored energy and complex microstructures allow new nanoscale structures to be produced by combinations of recovery and recrystallisation. The resultant structures exhibit totally new combinations of strength and ductility to be achieved. In specific cases this also enables both the nature of the grain boundary structure and the spatial variation in structure to be controlled. In this presentation both the detailed microstructural features and their relation to the strength, work-hardening capacity and ductility will be discussed for a number of martensitic and austenitic steels.

  4. 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

  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. The influence of sampling unit size and spatial arrangement patterns on neighborhood-based spatial structure analyses of forest stands

    Energy Technology Data Exchange (ETDEWEB)

    Wang, H.; Zhang, G.; Hui, G.; Li, Y.; Hu, Y.; Zhao, Z.

    2016-07-01

    Aim of study: Neighborhood-based stand spatial structure parameters can quantify and characterize forest spatial structure effectively. How these neighborhood-based structure parameters are influenced by the selection of different numbers of nearest-neighbor trees is unclear, and there is some disagreement in the literature regarding the appropriate number of nearest-neighbor trees to sample around reference trees. Understanding how to efficiently characterize forest structure is critical for forest management. Area of study: Multi-species uneven-aged forests of Northern China. Material and methods: We simulated stands with different spatial structural characteristics and systematically compared their structure parameters when two to eight neighboring trees were selected. Main results: Results showed that values of uniform angle index calculated in the same stand were different with different sizes of structure unit. When tree species and sizes were completely randomly interspersed, different numbers of neighbors had little influence on mingling and dominance indices. Changes of mingling or dominance indices caused by different numbers of neighbors occurred when the tree species or size classes were not randomly interspersed and their changing characteristics can be detected according to the spatial arrangement patterns of tree species and sizes. Research highlights: The number of neighboring trees selected for analyzing stand spatial structure parameters should be fixed. We proposed that the four-tree structure unit is the best compromise between sampling accuracy and costs for practical forest management. (Author)

  7. 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.

  8. Onset of bulk pinning in BSCCO single crystals

    Science.gov (United States)

    van der Beek, C. J.; Indenbom, M. V.; Berseth, V.; Li, T. W.; Benoit, W.

    1996-11-01

    The long growth defects often found in Bi2Sr2CaCu2O8, “single” crystals effectively weaken the geometrical barrier and lower the field of first flux penetration. This means that the intrinsic (bulk) magnetic properties can be more easily accessed using magnetic measurements. Thus, the onset of strong bulk flux pinning in the sample bulk is determined to lie at T ≈ 40 K, indepedent of whether the field strength is above or below the field of the second peak in the magnetisation.

  9. Microstructural characterization of Mg-based bulk metallic glass and nanocomposite

    Energy Technology Data Exchange (ETDEWEB)

    Babilas, Rafał, E-mail: rafal.babilas@polsl.pl [Institute of Engineering Materials and Biomaterials, Silesian University of Technology, Konarskiego 18a St., 44-100 Gliwice (Poland); Nowosielski, Ryszard; Pawlyta, Mirosława [Institute of Engineering Materials and Biomaterials, Silesian University of Technology, Konarskiego 18a St., 44-100 Gliwice (Poland); Fitch, Andy [European Synchrotron Radiation Facility, CS40220, 38043 Grenoble (France); Burian, Andrzej [A. Chelkowski Institute of Physics, University of Silesia, Uniwersytecka 4 St., 40-007 Katowice (Poland)

    2015-04-15

    New magnesium-based bulk metallic glasses Mg{sub 60}Cu{sub 30}Y{sub 10} have been prepared by pressure casting. Glassy alloys were successfully annealed to become nanocomposite containing 200 nm crystallites in an amorphous matrix. The microstructure of bulk glassy alloy and nanocomposite obtained during heat treatment was examined by X-ray diffraction and scanning and high-resolution electron microscopy. Metallic glass has been also studied to explain the structural characteristics by the reverse Monte Carlo (RMC) modeling based on the diffraction data. The HRTEM images allow to indicate some medium-range order (MRO) regions about 2–3 nm in size and formation of local atomic clusters. The RMC modeling results confirmed some kinds of short range order (SRO) structures. It was found that the structure of bulk metallic glass formed by the pressure casting is homogeneous. The composite material contained very small particles in the amorphous matrix. Homogeneous glassy alloy had better corrosion resistance than a composite containing nanocrystalline particles in a glassy matrix. - Highlights: • RMC modeling demonstrates some kinds of SRO structures in Mg-based BMGs. • HRTEM indicated MRO regions about 2–3 nm and SRO regions about 0.5 nm in size. • Mg-based glassy alloys were successfully annealed to become nanocomposite material. • Crystalline particles have spherical morphology with an average diameter of 200 nm. • Glassy alloy had higher corrosion resistance than a nanocomposite sample.

  10. A setup for measuring the Seebeck coefficient and the electrical resistivity of bulk thermoelectric materials

    Science.gov (United States)

    Fu, Qiang; Xiong, Yucheng; Zhang, Wenhua; Xu, Dongyan

    2017-09-01

    This paper presents a setup for measuring the Seebeck coefficient and the electrical resistivity of bulk thermoelectric materials. The sample holder was designed to have a compact structure and can be directly mounted in a standard cryostat system for temperature-dependent measurements. For the Seebeck coefficient measurement, a thin bar-shaped sample is mounted bridging two copper bases; and two ceramic heaters are used to generate a temperature gradient along the sample. Two type T thermocouples are used to determine both temperature and voltage differences between two widely separated points on the sample. The thermocouple junction is flattened into a disk and pressed onto the sample surface by using a spring load. The flexible fixation method we adopted not only simplifies the sample mounting process but also prevents thermal contact deterioration due to the mismatch of thermal expansion coefficients between the sample and other parts. With certain modifications, the sample holder can also be used for four-probe electrical resistivity measurements. High temperature measurements are essential for thermoelectric power generation. The experimental system we developed is capable of measuring the Seebeck coefficient and the electrical resistivity of bulk thermoelectric materials in a wide temperature range from 80 to 500 K, which can be further extended to even higher temperatures. Measurements on two standard materials, constantan and nickel, confirmed the accuracy and the reliability of the system.

  11. 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.

  12. Relating the structural strength of concrete sewer pipes and material properties retrieved from core samples

    NARCIS (Netherlands)

    Stanic, N.; Langeveld, J.G.; Salet, Theo; Clemens, F.H.L.R.

    2016-01-01

    Drill core samples are taken in practice for an analysis of the material characteristics of concrete pipes in order to improve the quality of the decision-making on rehabilitation actions. Earlier research has demonstrated that core sampling is associated with a significant uncertainty. In this

  13. 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…

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

    OpenAIRE

    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 increas...

  15. Examining gray matter structure associated with academic performance in a large sample of Chinese high school students

    OpenAIRE

    Song Wang; Ming Zhou; Taolin Chen; Xun Yang; Guangxiang Chen; Meiyun Wang; Qiyong Gong

    2017-01-01

    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 morphome...

  16. Bulk local states and crosscaps in holographic CFT

    Energy Technology Data Exchange (ETDEWEB)

    Nakayama, Yu [Department of Physics, Rikkyo University,Toshima, Tokyo 175-8501 (Japan); Kavli Institute for the Physics and Mathematics of the Universe (WPI), University of Tokyo,Kashiwa, Chiba 277-8583 (Japan); Ooguri, Hirosi [Kavli Institute for the Physics and Mathematics of the Universe (WPI), University of Tokyo,Kashiwa, Chiba 277-8583 (Japan); Walter Burke Institute for Theoretical Physics, California Institute of Technology,Pasadena, CA 91125 (United States); Center for Mathematical Sciences and Applications andCenter for the Fundamental Laws of Nature, Harvard University,Cambridge, MA 02138 (United States)

    2016-10-17

    In a weakly coupled gravity theory in the anti-de Sitter space, local states in the bulk are linear superpositions of Ishibashi states for a crosscap in the dual conformal field theory. The superposition structure can be constrained either by the microscopic causality in the bulk gravity or the bootstrap condition in the boundary conformal field theory. We show, contrary to some expectation, that these two conditions are not compatible to each other in the weak gravity regime. We also present an evidence to show that bulk local states in three dimensions are not organized by the Virasoro symmetry.

  17. 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

    Background 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. Methodology/Principal Findings 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. Conclusions/Significance This collection of structures, solubility and experimental essentiality data

  18. 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

  19. 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

  20. 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…

  1. 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

  2. Bulk metallic glass matrix composites

    International Nuclear Information System (INIS)

    Choi-Yim, H.; Johnson, W.L.

    1997-01-01

    Composites with a bulk metallic glass matrix were synthesized and characterized. This was made possible by the recent development of bulk metallic glasses that exhibit high resistance to crystallization in the undercooled liquid state. In this letter, experimental methods for processing metallic glass composites are introduced. Three different bulk metallic glass forming alloys were used as the matrix materials. Both ceramics and metals were introduced as reinforcement into the metallic glass. The metallic glass matrix remained amorphous after adding up to a 30 vol% fraction of particles or short wires. X-ray diffraction patterns of the composites show only peaks from the second phase particles superimposed on the broad diffuse maxima from the amorphous phase. Optical micrographs reveal uniformly distributed particles in the matrix. The glass transition of the amorphous matrix and the crystallization behavior of the composites were studied by calorimetric methods. copyright 1997 American Institute of Physics

  3. 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)

  4. Preparation and characterization of Zr-based bulk metallic glasses in form of plate

    International Nuclear Information System (INIS)

    Pilarczyk, Wirginia

    2014-01-01

    Highlights: • Zr-based BMGs in form of plate was successful produced by die pressure casting method. • Many techniques have been used to characterize the structure of Zr 55 Cu 30 Ni 5 Al 10 alloy. • The calculated GFA parameters show that the alloy exhibits satisfactory GFA. • The studies reveal that tested as-cast Zr-based alloy is in amorphous state. - Abstract: Zr-based bulk metallic glasses present an interesting combination of physical, chemical and mechanical properties. During the last decade, intensive progress has been made and a number of applications have been suggested for these materials. In order to successfully apply these materials, it is necessary to accurately characterize their structure, thermal stability and other properties accurately. The aim of the presented work is the manufacturing, examination of the structure of selected Zr-based bulk metallic alloys and confirmation of an amorphous structure using X-ray analysis, microscopic observation and thermal analysis. In this work, the Zr-based bulk metallic glasses in form of plate was successful produced by die pressure casting method. Designed scientific station for casting zirconium based amorphous alloys in the form of plates and rods with selected dimensions is in our university a comprehensive method for achieving amorphous materials which enables us to maintain repeatability of as-cast samples with the amorphous structure and the assumed dimensions range. The diffraction pattern and exothermic reaction as well as the fracture surface morphology reveal that studied as-cast Zr-based alloy is in amorphous state. The calculated GFA parameters show that the alloy exhibits satisfactory glass-forming ability in form of studied plate. These obtained values can suggest that studied alloys are suitable materials for further planned practical application at welding process. The success of Zr-based bulk metallic glasses production in form of plate with obtained sizes is important for future

  5. Automated Sample Exchange Robots for the Structural Biology Beam Lines at the Photon Factory

    International Nuclear Information System (INIS)

    Hiraki, Masahiko; Watanabe, Shokei; Yamada, Yusuke; Matsugaki, Naohiro; Igarashi, Noriyuki; Gaponov, Yurii; Wakatsuki, Soichi

    2007-01-01

    We are now developing automated sample exchange robots for high-throughput protein crystallographic experiments for onsite use at synchrotron beam lines. It is part of the fully automated robotics systems being developed at the Photon Factory, for the purposes of protein crystallization, monitoring crystal growth, harvesting and freezing crystals, mounting the crystals inside a hutch and for data collection. We have already installed the sample exchange robots based on the SSRL automated mounting system at our insertion device beam lines BL-5A and AR-NW12A at the Photon Factory. In order to reduce the time required for sample exchange further, a prototype of a double-tonged system was developed. As a result of preliminary experiments with double-tonged robots, the sample exchange time was successfully reduced from 70 seconds to 10 seconds with the exception of the time required for pre-cooling and warming up the tongs

  6. Bulk viscosity and cosmological evolution

    International Nuclear Information System (INIS)

    Beesham, A.

    1996-01-01

    In a recent interesting paper, Pimentel and Diaz-Rivera (Nuovo Cimento B, 109(1994) 1317) have derived several solutions with bulk viscosity in homogeneous and isotropic cosmological models. They also discussed the properties of these solutions. In this paper the authors relate the solutions of Pimentel and Diaz-Rivera by simple transformations to previous solutions published in the literature, showing that all the solutions can be derived from the known existing ones. Drawbacks to these approaches of studying bulk viscosity are pointed out, and better approaches indicated

  7. 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

  8. 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.

  9. A weighted sampling algorithm for the design of RNA sequences with targeted secondary structure and nucleotide distribution.

    Science.gov (United States)

    Reinharz, Vladimir; Ponty, Yann; Waldispühl, Jérôme

    2013-07-01

    The design of RNA sequences folding into predefined secondary structures is a milestone for many synthetic biology and gene therapy studies. Most of the current software uses similar local search strategies (i.e. a random seed is progressively adapted to acquire the desired folding properties) and more importantly do not allow the user to control explicitly the nucleotide distribution such as the GC-content in their sequences. However, the latter is an important criterion for large-scale applications as it could presumably be used to design sequences with better transcription rates and/or structural plasticity. In this article, we introduce IncaRNAtion, a novel algorithm to design RNA sequences folding into target secondary structures with a predefined nucleotide distribution. IncaRNAtion uses a global sampling approach and weighted sampling techniques. We show that our approach is fast (i.e. running time comparable or better than local search methods), seedless (we remove the bias of the seed in local search heuristics) and successfully generates high-quality sequences (i.e. thermodynamically stable) for any GC-content. To complete this study, we develop a hybrid method combining our global sampling approach with local search strategies. Remarkably, our glocal methodology overcomes both local and global approaches for sampling sequences with a specific GC-content and target structure. IncaRNAtion is available at csb.cs.mcgill.ca/incarnation/. Supplementary data are available at Bioinformatics online.

  10. Examination of the Structural, Convergent, and Incremental Validity of the Reynolds Intellectual Assessment Scales (RIAS) with a Clinical Sample

    Science.gov (United States)

    Nelson, Jason M.; Canivez, Gary L.

    2012-01-01

    Empirical examination of the Reynolds Intellectual Assessment Scales (RIAS; C. R. Reynolds & R. W. Kamphaus, 2003a) has produced mixed results regarding its internal structure and convergent validity. Various aspects of validity of RIAS scores with a sample (N = 521) of adolescents and adults seeking psychological evaluations at a university-based…

  11. 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…

  12. 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…

  13. 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…

  14. The Upgrade Programme for the Structural Biology beamlines at the European Synchrotron Radiation Facility - High throughput sample evaluation and automation

    Science.gov (United States)

    Theveneau, P.; Baker, R.; Barrett, R.; Beteva, A.; Bowler, M. W.; Carpentier, P.; Caserotto, H.; de Sanctis, D.; Dobias, F.; Flot, D.; Guijarro, M.; Giraud, T.; Lentini, M.; Leonard, G. A.; Mattenet, M.; McCarthy, A. A.; McSweeney, S. M.; Morawe, C.; Nanao, M.; Nurizzo, D.; Ohlsson, S.; Pernot, P.; Popov, A. N.; Round, A.; Royant, A.; Schmid, W.; Snigirev, A.; Surr, J.; Mueller-Dieckmann, C.

    2013-03-01

    Automation and advances in technology are the key elements in addressing the steadily increasing complexity of Macromolecular Crystallography (MX) experiments. Much of this complexity is due to the inter-and intra-crystal heterogeneity in diffraction quality often observed for crystals of multi-component macromolecular assemblies or membrane proteins. Such heterogeneity makes high-throughput sample evaluation an important and necessary tool for increasing the chances of a successful structure determination. The introduction at the ESRF of automatic sample changers in 2005 dramatically increased the number of samples that were tested for diffraction quality. This "first generation" of automation, coupled with advances in software aimed at optimising data collection strategies in MX, resulted in a three-fold increase in the number of crystal structures elucidated per year using data collected at the ESRF. In addition, sample evaluation can be further complemented using small angle scattering experiments on the newly constructed bioSAXS facility on BM29 and the micro-spectroscopy facility (ID29S). The construction of a second generation of automated facilities on the MASSIF (Massively Automated Sample Screening Integrated Facility) beam lines will build on these advances and should provide a paradigm shift in how MX experiments are carried out which will benefit the entire Structural Biology community.

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

    DEFF Research Database (Denmark)

    Seemann, Tine Lindberg; 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...

  16. Dynamic magnetoelectric effects in bulk and layered composites of cobalt zinc ferrite and lead zirconate titanate

    Energy Technology Data Exchange (ETDEWEB)

    Srinivasan, G.; Hayes, R.; DeVreugd, C.P. [Oakland University, Physics Department, Rochester, MI (United States); Laletsin, V.M.; Paddubnaya, N. [National Academy of Sciences, Institute of Technical Acoustics, Vitebsk (Belarus)

    2005-02-01

    Low-frequency magnetoelectric (ME) coupling is investigated in bulk samples and multilayers of cobalt zinc ferrite, Co{sub 1-x}Zn{sub x}Fe{sub 2}O{sub 4} (x=0-0.6), and lead zirconate titanate. In bulk samples, the transverse and longitudinal couplings are weak and of equal magnitude. A substantial strengthening of ME interactions is evident in layered structures, with the ME voltage coefficient a factor of 10-30 higher than in bulk samples. Important findings of our studies of layered composites are as follows. (i) The transverse coupling is stronger than the longitudinal coupling. (ii) The strength of ME interactions is dependent on Zn substitution, with a maximum for x=0.4. (iii) A weak coupling exists at the ferromagnetic-piezoelectric interface, as revealed by an analysis of the volume and static magnetic field dependence of ME voltage coefficients. (iv) The interface coupling k increases with Zn substitution and the k versus x profile shows a maximum centered at x=0.4. (v) The Zn-assisted enhancement can be attributed to efficient magneto-mechanical coupling in the ferrite. (orig.)

  17. Residents’ attitudes toward tourism development: A structural model via Akcakoca sample

    OpenAIRE

    Erol Duran; Emrah Özkul

    2012-01-01

    The objective of this study is to showcase a structural model that explores residents’ attitudes towards sustainable tourism development. Factors influencing residents’ attitudes were examined using a model consisting five latent constructs and six path hypotheses. Within this context, findings from 300 resident-respondents from Akcakoca, Turkey were analyzed. Utilizing LISREL 8,54 structural equation analysis package, a confirmatory factor analysis and path analysis were performed successi...

  18. How relevant are assembled equilibrium samples in understanding structure formation during lipid digestion?

    Science.gov (United States)

    Phan, Stephanie; Salentinig, Stefan; Hawley, Adrian; Boyd, Ben J

    2015-10-01

    Lipid-based formulations are gaining interest for use as drug delivery systems for poorly water-soluble drug compounds. During digestion, the lipolysis products self-assemble with endogenous surfactants in the gastrointestinal tract to form colloidal structures, enabling enhanced drug solubilisation. Although earlier studies in the literature focus on assembled equilibrium systems, little is known about structure formation under dynamic lipolysis conditions. The purpose of this study was to investigate the likely colloidal structure formation in the small intestine after the ingestion of lipids, under equilibrium and dynamic conditions. The structural aspects were studied using small angle X-ray scattering and dynamic light scattering, and were found to depend on lipid composition, lipid chain length, prandial state and emulsification. Incorporation of phospholipids and lipolysis products into bile salt micelles resulted in swelling of the structure. At insufficient bile salt concentrations, a co-existing lamellar phase was observed, due to a reduction in the solubilisation capacity for lipolysis products. Emulsification accelerated the rate of lipolysis and structure formation. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Fatigue studies in compensated bulk lead zirconate titanate

    International Nuclear Information System (INIS)

    Verdier, Cyril; Morrison, Finlay D.; Lupascu, Doru C.; Scott, James F.

    2005-01-01

    Impedance analysis studies were carried out on compensated bulk lead zirconate titanate samples. Fatigue is concomitant with the onset of dielectric loss. This is shown to be dominantly due to an irreversibly modified near-surface layer that can be polished off. The highly compensated nature of these samples minimizes the role of oxygen vacancies

  20. Determination of the structure factors of a LiF powder sample by the energy dispersive x-ray diffraction

    International Nuclear Information System (INIS)

    Uno, R.; Ahtee, A.; Paakkari, T.

    1977-01-01

    The structure factors of a LiF powder sample were determined by energy dispersive x-ray diffraction in the range 9 to 25 keV, with the use of a Si(Li) solid state detector, following the method applied on GaP. Since the absorption coefficient of LiF is small at high energy, a fraction of the incident x-rays penetrates through the sample and does not contribute to the diffraction. This effect was taken into account in the determination of the structure factors. Then the structure factors generally agree, within the limit of 5 % error, with those obtained by the usual angle dispersive method, if the penetrated part of the incident beam is less than 40 %. (author)

  1. A structured sparse regression method for estimating isoform expression level from multi-sample RNA-seq data.

    Science.gov (United States)

    Zhang, L; Liu, X J

    2016-06-03

    With the rapid development of next-generation high-throughput sequencing technology, RNA-seq has become a standard and important technique for transcriptome analysis. For multi-sample RNA-seq data, the existing expression estimation methods usually deal with each single-RNA-seq sample, and ignore that the read distributions are consistent across multiple samples. In the current study, we propose a structured sparse regression method, SSRSeq, to estimate isoform expression using multi-sample RNA-seq data. SSRSeq uses a non-parameter model to capture the general tendency of non-uniformity read distribution for all genes across multiple samples. Additionally, our method adds a structured sparse regularization, which not only incorporates the sparse specificity between a gene and its corresponding isoform expression levels, but also reduces the effects of noisy reads, especially for lowly expressed genes and isoforms. Four real datasets were used to evaluate our method on isoform expression estimation. Compared with other popular methods, SSRSeq reduced the variance between multiple samples, and produced more accurate isoform expression estimations, and thus more meaningful biological interpretations.

  2. 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.

  3. 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

  4. Zirconium based bulk metallic glasses

    International Nuclear Information System (INIS)

    Dey, G.K.; Neogy, S.; Savalia, R.T.; Tewari, R.; Srivastava, D.; Banerjee, S.

    2006-01-01

    Metallic glasses have come into prominence in recent times because their nanocrystalline atomic arrangement imparts many useful and unusual properties to these metallic solids. In this study, bulk glasses have been obtained in Zr based multicomponent alloy by induction melting these alloys in silica crucibles and casting these in form of rods 3 and 6 mm in diameter in a copper mould

  5. 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...

  6. Bulk viscosity of molecular fluids

    Science.gov (United States)

    Jaeger, Frederike; Matar, Omar K.; Müller, Erich A.

    2018-05-01

    The bulk viscosity of molecular models of gases and liquids is determined by molecular simulations as a combination of a dilute gas contribution, arising due to the relaxation of internal degrees of freedom, and a configurational contribution, due to the presence of intermolecular interactions. The dilute gas contribution is evaluated using experimental data for the relaxation times of vibrational and rotational degrees of freedom. The configurational part is calculated using Green-Kubo relations for the fluctuations of the pressure tensor obtained from equilibrium microcanonical molecular dynamics simulations. As a benchmark, the Lennard-Jones fluid is studied. Both atomistic and coarse-grained force fields for water, CO2, and n-decane are considered and tested for their accuracy, and where possible, compared to experimental data. The dilute gas contribution to the bulk viscosity is seen to be significant only in the cases when intramolecular relaxation times are in the μs range, and for low vibrational wave numbers (<1000 cm-1); This explains the abnormally high values of bulk viscosity reported for CO2. In all other cases studied, the dilute gas contribution is negligible and the configurational contribution dominates the overall behavior. In particular, the configurational term is responsible for the enhancement of the bulk viscosity near the critical point.

  7. Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics.

    Science.gov (United States)

    Maximova, Tatiana; Moffatt, Ryan; Ma, Buyong; Nussinov, Ruth; Shehu, Amarda

    2016-04-01

    Investigation of macromolecular structure and dynamics is fundamental to understanding how macromolecules carry out their functions in the cell. Significant advances have been made toward this end in silico, with a growing number of computational methods proposed yearly to study and simulate various aspects of macromolecular structure and dynamics. This review aims to provide an overview of recent advances, focusing primarily on methods proposed for exploring the structure space of macromolecules in isolation and in assemblies for the purpose of characterizing equilibrium structure and dynamics. In addition to surveying recent applications that showcase current capabilities of computational methods, this review highlights state-of-the-art algorithmic techniques proposed to overcome challenges posed in silico by the disparate spatial and time scales accessed by dynamic macromolecules. This review is not meant to be exhaustive, as such an endeavor is impossible, but rather aims to balance breadth and depth of strategies for modeling macromolecular structure and dynamics for a broad audience of novices and experts.

  8. Bulk growth of undoped and Nd3+ doped zinc thiourea chloride (ZTC) monocrystal: Exploring the remarkably enhanced structural, optical, electrical and mechanical performance of Nd3+ doped ZTC crystal for NLO device applications

    Science.gov (United States)

    Anis, Mohd; Muley, Gajanan. G.

    2017-05-01

    In current scenario good quality crystals are demanded for NLO device application hence present communication is aimed to grow bulk crystal and investigate the doping effect of rare earth element Nd3+ on structural, linear-nonlinear optical, luminescence, mechanical and dielectric properties of zinc thiourea chloride (ZTC) crystal. The ZTC crystal of dimension 21×10×8 mm3 and the Nd3+ doped ZTC crystal of dimension 27×17×5 mm3 have been grown from aqueous solution by slow evaporation technique. The elemental analysis of Nd3+ doped ZTC single crystal has been performed by means of energy dispersive spectroscopic technique. The powder X-ray diffraction technique has been employed to confirm the crystalline phase and identify the effect of Nd3+ doping on structural dimensions of ZTC crystal. The grown crystals have been characterized by UV-Vis-NIR study in the range of 190-1100 nm to ascertain the enhancement in optical transparency of ZTC crystal facilitated by dopant Nd3+. The recorded transmittance data has been utilized to investigate the vital optical constants of grown crystals. The second order nonlinear optical behavior of grown crystals has been evaluated by means of Kurtz-Perry test and the second harmonic generation efficiency of Nd3+ doped ZTC crystal is found to be 1.24 times higher than ZTC crystal. The luminescence analysis has been performed to examine the electronic purity and the color centered photoluminescence emission nature of pure and Nd3+ doped ZTC crystals. The influence of Nd3+ ion on mechanical behavior of ZTC crystal has been investigated by means of microhardness studies. The nature of dielectric constant and dielectric loss of pure and Nd3+ doped ZTC crystal has been examined in the range of 40-100 °C under dielectric study. The Z-scan technique has been employed using the He-Ne laser to investigate the third order nonlinear optical (TONLO) nature of Nd3+ doped ZTC single crystal. The magnitude of TONLO susceptibility, absorption

  9. Mass production of bulk artificial nacre with excellent mechanical properties.

    Science.gov (United States)

    Gao, Huai-Ling; Chen, Si-Ming; Mao, Li-Bo; Song, Zhao-Qiang; Yao, Hong-Bin; Cölfen, Helmut; Luo, Xi-Sheng; Zhang, Fu; Pan, Zhao; Meng, Yu-Feng; Ni, Yong; Yu, Shu-Hong

    2017-08-18

    Various methods have been exploited to replicate nacre features into artificial structural materials with impressive structural and mechanical similarity. However, it is still very challenging to produce nacre-mimetics in three-dimensional bulk form, especially for further scale-up. Herein, we demonstrate that large-sized, three-dimensional bulk artificial nacre with comprehensive mimicry of the hierarchical structures and the toughening mechanisms of natural nacre can be facilely fabricated via a bottom-up assembly process based on laminating pre-fabricated two-dimensional nacre-mimetic films. By optimizing the hierarchical architecture from molecular level to macroscopic level, the mechanical performance of the artificial nacre is superior to that of natural nacre and many engineering materials. This bottom-up strategy has no size restriction or fundamental barrier for further scale-up, and can be easily extended to other material systems, opening an avenue for mass production of high-performance bulk nacre-mimetic structural materials in an efficient and cost-effective way for practical applications.Artificial materials that replicate the mechanical properties of nacre represent important structural materials, but are difficult to produce in bulk. Here, the authors exploit the bottom-up assembly of 2D nacre-mimetic films to fabricate 3D bulk artificial nacre with an optimized architecture and excellent mechanical properties.

  10. 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...

  11. The Structure of The Extended Psychosis Phenotype in Early Adolescence-A Cross-sample Replication

    NARCIS (Netherlands)

    Wigman, Johanna T. W.; Vollebergh, Wilma A. M.; Raaijmakers, Quinten A. W.; Iedema, Jurjen; van Dorsselaer, Saskia; Ormel, Johan; Verhulst, Frank C.; van Os, Jim

    The extended psychosis phenotype, or the expression of nonclinical positive psychotic experiences, is already prevalent in adolescence and has a dose-response risk relationship with later psychotic disorder. In 2 large adolescent general population samples (n = 5422 and n = 2230), prevalence and

  12. 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

  13. [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.

  14. Near surface bulk density estimates of NEAs from radar observations and permittivity measurements of powdered geologic material

    Science.gov (United States)

    Hickson, Dylan; Boivin, Alexandre; Daly, Michael G.; Ghent, Rebecca; Nolan, Michael C.; Tait, Kimberly; Cunje, Alister; Tsai, Chun An

    2018-05-01

    The variations in near-surface properties and regolith structure of asteroids are currently not well constrained by remote sensing techniques. Radar is a useful tool for such determinations of Near-Earth Asteroids (NEAs) as the power of the reflected signal from the surface is dependent on the bulk density, ρbd, and dielectric permittivity. In this study, high precision complex permittivity measurements of powdered aluminum oxide and dunite samples are used to characterize the change in the real part of the permittivity with the bulk density of the sample. In this work, we use silica aerogel for the first time to increase the void space in the samples (and decrease the bulk density) without significantly altering the electrical properties. We fit various mixing equations to the experimental results. The Looyenga-Landau-Lifshitz mixing formula has the best fit and the Lichtenecker mixing formula, which is typically used to approximate planetary regolith, does not model the results well. We find that the Looyenga-Landau-Lifshitz formula adequately matches Lunar regolith permittivity measurements, and we incorporate it into an existing model for obtaining asteroid regolith bulk density from radar returns which is then used to estimate the bulk density in the near surface of NEA's (101955) Bennu and (25143) Itokawa. Constraints on the material properties appropriate for either asteroid give average estimates of ρbd = 1.27 ± 0.33g/cm3 for Bennu and ρbd = 1.68 ± 0.53g/cm3 for Itokawa. We conclude that our data suggest that the Looyenga-Landau-Lifshitz mixing model, in tandem with an appropriate radar scattering model, is the best method for estimating bulk densities of regoliths from radar observations of airless bodies.

  15. Experimental Protocol to Determine the Chloride Threshold Value for Corrosion in Samples Taken from Reinforced Concrete Structures.

    Science.gov (United States)

    Angst, Ueli M; Boschmann, Carolina; Wagner, Matthias; Elsener, Bernhard

    2017-08-31

    The aging of reinforced concrete infrastructure in developed countries imposes an urgent need for methods to reliably assess the condition of these structures. Corrosion of the embedded reinforcing steel is the most frequent cause for degradation. While it is well known that the ability of a structure to withstand corrosion depends strongly on factors such as the materials used or the age, it is common practice to rely on threshold values stipulated in standards or textbooks. These threshold values for corrosion initiation (Ccrit) are independent of the actual properties of a certain structure, which clearly limits the accuracy of condition assessments and service life predictions. The practice of using tabulated values can be traced to the lack of reliable methods to determine Ccrit on-site and in the laboratory. Here, an experimental protocol to determine Ccrit for individual engineering structures or structural members is presented. A number of reinforced concrete samples are taken from structures and laboratory corrosion testing is performed. The main advantage of this method is that it ensures real conditions concerning parameters that are well known to greatly influence Ccrit, such as the steel-concrete interface, which cannot be representatively mimicked in laboratory-produced samples. At the same time, the accelerated corrosion test in the laboratory permits the reliable determination of Ccrit prior to corrosion initiation on the tested structure; this is a major advantage over all common condition assessment methods that only permit estimating the conditions for corrosion after initiation, i.e., when the structure is already damaged. The protocol yields the statistical distribution of Ccrit for the tested structure. This serves as a basis for probabilistic prediction models for the remaining time to corrosion, which is needed for maintenance planning. This method can potentially be used in material testing of civil infrastructures, similar to established

  16. Exploring structural variability in X-ray crystallographic models using protein local optimization by torsion-angle sampling

    International Nuclear Information System (INIS)

    Knight, Jennifer L.; Zhou, Zhiyong; Gallicchio, Emilio; Himmel, Daniel M.; Friesner, Richard A.; Arnold, Eddy; Levy, Ronald M.

    2008-01-01

    Torsion-angle sampling, as implemented in the Protein Local Optimization Program (PLOP), is used to generate multiple structurally variable single-conformer models which are in good agreement with X-ray data. An ensemble-refinement approach to differentiate between positional uncertainty and conformational heterogeneity is proposed. Modeling structural variability is critical for understanding protein function and for modeling reliable targets for in silico docking experiments. Because of the time-intensive nature of manual X-ray crystallographic refinement, automated refinement methods that thoroughly explore conformational space are essential for the systematic construction of structurally variable models. Using five proteins spanning resolutions of 1.0–2.8 Å, it is demonstrated how torsion-angle sampling of backbone and side-chain libraries with filtering against both the chemical energy, using a modern effective potential, and the electron density, coupled with minimization of a reciprocal-space X-ray target function, can generate multiple structurally variable models which fit the X-ray data well. Torsion-angle sampling as implemented in the Protein Local Optimization Program (PLOP) has been used in this work. Models with the lowest R free values are obtained when electrostatic and implicit solvation terms are included in the effective potential. HIV-1 protease, calmodulin and SUMO-conjugating enzyme illustrate how variability in the ensemble of structures captures structural variability that is observed across multiple crystal structures and is linked to functional flexibility at hinge regions and binding interfaces. An ensemble-refinement procedure is proposed to differentiate between variability that is a consequence of physical conformational heterogeneity and that which reflects uncertainty in the atomic coordinates

  17. 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.

  18. Photocarrier dynamics in monolayer phosphorene and bulk black phosphorus.

    Science.gov (United States)

    Zereshki, Peymon; Wei, Yaqing; Ceballos, Frank; Bellus, Matthew Z; Lane, Samuel D; Pan, Shudi; Long, Run; Zhao, Hui

    2018-06-13

    We report a combined theoretical and experimental study on photocarrier dynamics in monolayer phosphorene and bulk black phosphorus. Samples of monolayer phosphorene and bulk black phosphorus were fabricated by mechanical exfoliation, identified according to their reflective contrasts, and protected by covering them with hexagonal boron nitride layers. Photocarrier dynamics in these samples was studied by an ultrafast pump-probe technique. The photocarrier lifetime of monolayer phosphorene was found to be about 700 ps, which is about 9 times longer than that of bulk black phosphorus. This trend was reproduced in our calculations based on ab initio nonadiabatic molecular dynamics combined with time-domain density functional theory in the Kohn-Sham representation, and can be attributed to the smaller bandgap and stronger nonadiabatic coupling in bulk. The transient absorption response was also found to be dependent on the sample orientation with respect to the pump polarization, which is consistent with the previously reported anisotropic absorption of phosphorene. In addition, an oscillating component of the differential reflection signal at early probe delays was observed in the bulk sample and was attributed to the layer-breathing phonon mode with an energy of about 1 meV and a decay time of about 1.35 ps. These results provide valuable information for application of monolayer phosphorene in optoelectronics.

  19. Factor Structure of the Acute Stress Disorder Scale in a Sample of Hurricane Katrina Evacuees

    Science.gov (United States)

    Edmondson, Donald; Mills, Mary Alice; Park, Crystal L.

    2010-01-01

    Acute stress disorder (ASD) is a poorly understood and controversial diagnosis (A. G. Harvey & R. A. Bryant, 2002). The present study used confirmatory factor analysis (CFA) to test the factor structure of the most widely used self-report measure of ASD, the Acute Stress Disorder Scale (R. A. Bryant, M. L. Moulds, & R. M. Guthrie, 2000),…

  20. Brief Report: The Factor Structure of Mood States in an Early Adolescent Sample

    Science.gov (United States)

    Duffy, Christopher J.; Cunningham, Everarda G.; Moore, Susan M.

    2005-01-01

    The purpose of this study was to examine the structure of negative mood states among young adolescents. Students (N=216) aged 11-15 years from a secondary school in Melbourne, Australia, completed the Depression, Anxiety, Stress Scales (DASS) [Lovibond, S. H., & Lovibond, P. F. (1996). "Depression anxiety stress scales." Sydney: The…

  1. Construct Validity of the WISC-IV with a Referred Sample: Direct versus Indirect Hierarchical Structures

    Science.gov (United States)

    Canivez, Gary L.

    2014-01-01

    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…

  2. Bulk electronic structures of n-type superconductor Nd1.85Ce0.15CuO4 probed by high energy angle-resolved photoemission spectroscopy

    International Nuclear Information System (INIS)

    Tsunekawa, M.; Sekiyama, A.; Kasai, S.; Yamasaki, A.; Fujiwara, H.; Sing, M.; Shigemoto, A.; Imada, S.; Onose, Y.; Tokura, Y.; Muro, T.; Suga, S.

    2005-01-01

    We report on a high-energy angle-resolved photoemission (ARPES) study of the n-type high-T C cuprate, Nd 1.85 Ce 0.15 CuO 4 (NCCO). Our bulk sensitive results suggest a hole-like Fermi surface as seen by the so far reported low-energy ARPES studies. The soft X-ray Cu 2p core-level photoemission spectra show clear polar-angle dependence, suggesting the difference in electron states between the bulk and surface

  3. Phytoestrogens and Their Metabolites in Bulk-Tank Milk: Effects of Farm Management and Season

    DEFF Research Database (Denmark)

    Adler, Steffen A; Purup, Stig; Hansen-Møller, Jens

    2015-01-01

    Phytoestrogens have structures similar to endogenous steroids and may induce or inhibit the response of hormone receptors. The objectives of the present study were to compare the effects of long-term vs. short-term grassland management in organic and conventional dairy production systems, compare...... organic and conventional production systems and assess seasonal variation on phytoestrogen concentrations in bulk-tank milk. The concentrations of phytoestrogens were analyzed in bulk-tank milk sampled three times in two subsequent years from 28 dairy farms: Fourteen organic (ORG) dairy farms with either...... short-term or long-term grassland management were paired with 14 conventional (CON) farms with respect to grassland management. Grassland management varied in terms of time since establishment. Short-term grassland management (SG) was defined as establishment or reseeding every fourth year or more often...

  4. 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%.

  5. 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.

  6. 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

  7. 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)

  8. 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 ...

  9. Structural Discrimination is Associated With Smoking Status Among a National Sample of Transgender Individuals.

    Science.gov (United States)

    Shires, Deirdre A; Jaffee, Kim D

    2016-06-01

    Limited evidence suggests that transgender individuals smoke at significantly higher rates than the general population. We aimed to determine whether structural or everyday discrimination experiences predict smoking behavior among transgender individuals when sociodemographic, health, and gender-specific factors were controlled. Data from the National Transgender Discrimination Survey (N = 4781), a cross-sectional online and paper survey distributed to organizations serving the transgender community, were analyzed in order to determine the association between current smoking and discrimination experiences and other potential predictors. Logistic regression models were used to establish factors that predict smoking. Participants reported experiencing both structural (80.4%) and everyday (65.9%) discrimination. Multivariate analyses showed that participants who reported attending some college, graduating college, or having a graduate degree were less likely to smoke compared to those with a high school degree or less. Uninsured participants were more likely to report smoking compared to those with private insurance. Those who used alcohol or drugs for coping were also more likely to smoke. Participants whose IDs and records listed their preferred gender were less likely to smoke (OR = 0.84); those who had experienced structural discrimination were more like to report smoking (OR = 1.65). Further research is needed in order to explore the relationship between smoking and legal transition among transgender individuals. Strategies to prevent smoking and encourage cessation among this vulnerable population are also needed. In addition, comprehensive collection of gender identity data in the context of national surveys, tobacco-related research, and clinical settings is sorely needed. This study establishes a link between experiences of structural discrimination among transgender individuals and smoking status. © The Author 2015. Published by Oxford University Press on

  10. Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State.

    Science.gov (United States)

    Strauss, Mike; Schotte, Lise; Karunatilaka, Krishanthi S; Filman, David J; Hogle, James M

    2017-02-01

    By using cryo-electron microscopy, expanded 80S-like poliovirus virions (poliovirions) were visualized in complexes with four 80S-specific camelid VHHs (Nanobodies). In all four complexes, the VHHs bind to a site on the top surface of the capsid protein VP3, which is hidden in the native virus. Interestingly, although the four VHHs bind to the same site, the structures of the expanded virus differ in detail in each complex, suggesting that each of the Nanobodies has sampled a range of low-energy structures available to the expanded virion. By stabilizing unique structures of expanded virions, VHH binding permitted a more detailed view of the virus structure than was previously possible, leading to a better understanding of the expansion process that is a critical step in infection. It is now clear which polypeptide chains become disordered and which become rearranged. The higher resolution of these structures also revealed well-ordered conformations for the EF loop of VP2, the GH loop of VP3, and the N-terminal extensions of VP1 and VP2, which, in retrospect, were present in lower-resolution structures but not recognized. These structural observations help to explain preexisting mutational data and provide insights into several other stages of the poliovirus life cycle, including the mechanism of receptor-triggered virus expansion. When poliovirus infects a cell, it undergoes a change in its structure in order to pass RNA through its protein coat, but this altered state is short-lived and thus poorly understood. The structures of poliovirus bound to single-domain antibodies presented here capture the altered virus in what appear to be intermediate states. A careful analysis of these structures lets us better understand the molecular mechanism of infection and how these changes in the virus lead to productive-infection events. Copyright © 2017 American Society for Microbiology.

  11. 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.

  12. 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; Chen, Xiankai; Ashokan, Ajith; Zheng, Zilong; Ravva, Mahesh Kumar; Bré das, Jean-Luc

    2018-01-01

    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.

  13. Factor structure of the pictorial scale of perceived competence and social acceptance with two pre-elementary samples.

    Science.gov (United States)

    Mantzicopoulos, Panayota; French, Brian F; Maller, Susan J

    2004-01-01

    Competing models of the factorial structure of the Pictorial Scale of Perceived Competence and Social Acceptance (PSPCSA) were tested for fit using multisample confirmatory factor analysis. The best fitting model was tested for invariance (a) across samples of middle-class (n = 251) and economically disadvantaged (Head Start, n = 117) kindergarten children (whose ages ranged from 67 to 86 months), and (b) over time (at the end of preschool and kindergarten) for the Head Start sample. For kindergarten children, regardless of socioeconomic status, the factor structure of the PSPCSA was consistent with the 2-factor model of Competence and Acceptance. This model also fit reasonably well for Head Start children at the end of their preschool year. However, in addition to providing broad support for the dimensionality of the measure, our findings highlight important concerns about the PSPCSA. Copyright 2004 Society for Research in Child Development, Inc.

  14. 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.

  15. 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

  16. Slicing, sampling, and distance-dependent effects affect network measures in simulated cortical circuit structures

    Directory of Open Access Journals (Sweden)

    Daniel Carl Miner

    2014-11-01

    Full Text Available The neuroanatomical connectivity of cortical circuits is believed to follow certain rules, the exact origins of which are still poorly understood. In particular, numerous nonrandom features, such as common neighbor clustering, overrepresentation of reciprocal connectivity, and overrepresentation of certain triadic graph motifs have been experimentally observed in cortical slice data. Some of these data, particularly regarding bidirectional connectivity are seemingly contradictory, and the reasons for this are unclear. Here we present a simple static geometric network model with distance-dependent connectivity on a realistic scale that naturally gives rise to certain elements of these observed behaviors, and may provide plausible explanations for some of the conflicting findings. Specifically, investigation of the model shows that experimentally measured nonrandom effects, especially bidirectional connectivity, may depend sensitively on experimental parameters such as slice thickness and sampling area, suggesting potential explanations for the seemingly conflicting experimental results.

  17. Slicing, sampling, and distance-dependent effects affect network measures in simulated cortical circuit structures.

    Science.gov (United States)

    Miner, Daniel C; Triesch, Jochen

    2014-01-01

    The neuroanatomical connectivity of cortical circuits is believed to follow certain rules, the exact origins of which are still poorly understood. In particular, numerous nonrandom features, such as common neighbor clustering, overrepresentation of reciprocal connectivity, and overrepresentation of certain triadic graph motifs have been experimentally observed in cortical slice data. Some of these data, particularly regarding bidirectional connectivity are seemingly contradictory, and the reasons for this are unclear. Here we present a simple static geometric network model with distance-dependent connectivity on a realistic scale that naturally gives rise to certain elements of these observed behaviors, and may provide plausible explanations for some of the conflicting findings. Specifically, investigation of the model shows that experimentally measured nonrandom effects, especially bidirectional connectivity, may depend sensitively on experimental parameters such as slice thickness and sampling area, suggesting potential explanations for the seemingly conflicting experimental results.

  18. Structure in a confined smectic liquid crystal with competing surface and sample elasticities

    International Nuclear Information System (INIS)

    Idziak, S.H.; Koltover, I.; Israelachvili, J.N.; Safinya, C.R.

    1996-01-01

    We report on studies using the x-ray surface forces apparatus (XSFA) to compare the structure of a liquid crystal confined between hard surfaces and, for the first time, between soft surfaces that can deform due to the stresses imposed by the confined fluid. We find that the alignment of smectic domains in confined films depends critically on both the shape and compliance of the confining walls or surfaces: open-quote open-quote Soft surfaces close-quote close-quote exhibit a critical gap thickness of 3.4 μm for the liquid crystal studied at which maximum alignment occurs, while open-quote open-quote hard surfaces close-quote close-quote do not exhibit gap-dependent alignment. copyright 1996 The American Physical Society

  19. Visualization and automatic detection of defect distribution in GaN atomic structure from sampling Moiré phase.

    Science.gov (United States)

    Wang, Qinghua; Ri, Shien; Tsuda, Hiroshi; Kodera, Masako; Suguro, Kyoichi; Miyashita, Naoto

    2017-09-19

    Quantitative detection of defects in atomic structures is of great significance to evaluating product quality and exploring quality improvement process. In this study, a Fourier transform filtered sampling Moire technique was proposed to visualize and detect defects in atomic arrays in a large field of view. Defect distributions, defect numbers and defect densities could be visually and quantitatively determined from a single atomic structure image at low cost. The effectiveness of the proposed technique was verified from numerical simulations. As an application, the dislocation distributions in a GaN/AlGaN atomic structure in two directions were magnified and displayed in Moire phase maps, and defect locations and densities were detected automatically. The proposed technique is able to provide valuable references to material scientists and engineers by checking the effect of various treatments for defect reduction. © 2017 IOP Publishing Ltd.

  20. Reliability, convergent validity and factor structure of the DASS-21 in a sample of Vietnamese adolescents.

    Science.gov (United States)

    Le, Minh Thi Hong; Tran, Thach Duc; Holton, Sara; Nguyen, Huong Thanh; Wolfe, Rory; Fisher, Jane

    2017-01-01

    To assess the internal consistency, latent structure and convergent validity of the Depression, Anxiety and Stress Scale-21 (DASS-21) among adolescents in Vietnam. An anonymous, self-completed questionnaire was conducted among 1,745 high school students in Hanoi, Vietnam between October, 2013 and January, 2014. Confirmatory factor analyses were performed to assess the latent structure of the DASS-21. Factorial invariance between girls and boys was examined. Cronbach alphas and correlation coefficients between DASS-21 factor scores and the domain scores of the Duke Health Profile Adolescent Vietnamese validated version (ADHP-V) were calculated to assess DASS-21 internal consistency and convergent validity. A total of 1,606/ 1,745 (92.6%) students returned the questionnaire. Of those, 1,387 students provided complete DASS-21 data. The scale demonstrated adequate internal consistency (Cronbach α: 0.761 to 0.906). A four-factor model showed the best fit to the data. Items loaded significantly on a common general distress fact