Science.gov

Sample records for 1st order structures

  1. Magnetic field induced 1st order transitions: Recent studies, and some new concepts

    NASA Astrophysics Data System (ADS)

    Chaddah, P.

    2015-05-01

    Phase transitions are caused by varying temperature, or pressure, or magnetic field. The observation of 1st order magneto-structural transitions has created application possibilities based on magnetoresistance, magnetocaloric effect, magnetic shape memory effect, and magneto-dielectric effect. Magnetic field induced transitions, and phase coexistence of competing magnetic phases down to the lowest temperature, gained prominence over a decade ago with theoretical models suggesting that the ground state is not homogeneous. Researchers at Indore pushed an alternative view that this phase coexistence could be due to glasslike "kinetic arrest" of a disorder-broadened first-order magnetic transition between two states with long-range magnetic order, resulting in phase coexistence down to the lowest temperatures. The CHUF (cooling and heating in unequal field) protocol created at Indore allows the observation of `devitrification', followed by `melting'. I show examples of measurements establishing kinetic arrest in various materials, emphasizing that glasslike arrest of 1st order magnetic transitions may be as ubiquitous as glass formation following the arrest of 1st order structural transitions.

  2. 1st- and 2nd-order motion and texture resolution in central and peripheral vision

    NASA Technical Reports Server (NTRS)

    Solomon, J. A.; Sperling, G.

    1995-01-01

    STIMULI. The 1st-order stimuli are moving sine gratings. The 2nd-order stimuli are fields of static visual texture, whose contrasts are modulated by moving sine gratings. Neither the spatial slant (orientation) nor the direction of motion of these 2nd-order (microbalanced) stimuli can be detected by a Fourier analysis; they are invisible to Reichardt and motion-energy detectors. METHOD. For these dynamic stimuli, when presented both centrally and in an annular window extending from 8 to 10 deg in eccentricity, we measured the highest spatial frequency for which discrimination between +/- 45 deg texture slants and discrimination between opposite directions of motion were each possible. RESULTS. For sufficiently low spatial frequencies, slant and direction can be discriminated in both central and peripheral vision, for both 1st- and for 2nd-order stimuli. For both 1st- and 2nd-order stimuli, at both retinal locations, slant discrimination is possible at higher spatial frequencies than direction discrimination. For both 1st- and 2nd-order stimuli, motion resolution decreases 2-3 times more rapidly with eccentricity than does texture resolution. CONCLUSIONS. (1) 1st- and 2nd-order motion scale similarly with eccentricity. (2) 1st- and 2nd-order texture scale similarly with eccentricity. (3) The central/peripheral resolution fall-off is 2-3 times greater for motion than for texture.

  3. 26. Photograph of original Fresnel lens a 1st order fixed ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    26. Photograph of original Fresnel lens a 1st order fixed white light. (Installed 1874 and first illuminated Feb. 1, 1875. This is the only known photograph of this lens - - removed in 1929.)ca. 1918. - Block Island Southeast Light, Spring Street & Mohegan Trail at Mohegan Bluffs, New Shoreham, Washington County, RI

  4. CO2 dynamics in nested catchments: a longitudinal perspective from soil to 1st and 2nd order streams

    NASA Astrophysics Data System (ADS)

    Johnson, M. S.; Lehmann, J.; Riha, S. J.; Couto, E. G.

    2005-12-01

    Fluxes of CO2 from terrestrial to aquatic environments were investigated in a nested catchment study in the seasonally-dry southern Amazon. Dissolved CO2 concentrations in groundwater springs, four 1st order streams and one 2nd order stream were determined via routine sampling and in-situ monitoring. CO2 concentrations were monitored in the soil atmosphere to 8m. Belowground, the seasonal trend in soil CO2 concentrations at depth lagged that of seasonal water table dynamics, with peak concentrations (8.7% CO2 vol/vol at 4m) occurring one month after maximum water table height, indicating a shift in root respiration and plant water uptake to deeper soil layers during the dry season. Peak dissolved CO2 concentrations in springs and streams lagged the soil CO2 maximum by an additional month. During storm events, streamflow CO2 concentrations were found to decrease initially, reflecting the initial contribution of low-CO2 direct precipitation and surface runoff. Streamwater CO2 then increased as the contribution of pre-event water to storm flow increased. Dissolved CO2 in springs was also found to increase during storm events. Diurnal fluctuations in dissolved CO2 of springs were also observed, indicating the connectivity of the biosphere, pedosphere and hydrosphere for headwater catchments. The dissolved CO2 concentration within 1st order streams decreases rapidly downstream from stream sources, with spring CO2 concentration 3.3 times that at headwater catchment outlets. This initial outgassing of CO2 within 1st order streams was found to be accompanied by a corresponding increase in the pH of stream water. However, dissolved CO2 concentrations were not found to be significantly different between 1st and 2nd order streams. This suggests a discontinuity between some processes at the terrestrial-aquatic interface in headwater catchments and those of larger-order watersheds.

  5. Modeling the Magnetic and Thermal Structure of Active Regions: 1st Year 1st Semi-Annual Progress Report

    NASA Technical Reports Server (NTRS)

    Mikic, Zoran

    2003-01-01

    This report covers technical progress during the first six months of the first year of NASA SR&T contract "Modeling the Magnetic and Thermal Structure of Active Regions", NASW-03008, between NASA and Science Applications International Corporation, and covers the period January 14, 2003 to July 13, 2003. Under this contract SAIC has conducted research into theoretical modeling of the properties of active regions using the MHD model.

  6. Hybrid distributed Raman amplification combining random fiber laser based 2nd-order and low-noise LD based 1st-order pumping.

    PubMed

    Jia, Xin-Hong; Rao, Yun-Jiang; Yuan, Cheng-Xu; Li, Jin; Yan, Xiao-Dong; Wang, Zi-Nan; Zhang, Wei-Li; Wu, Han; Zhu, Ye-Yu; Peng, Fei

    2013-10-21

    A configuration of hybrid distributed Raman amplification (H-DRA), that is formed by incorporating a random fiber laser (RFL) based 2nd-order pump and a low-noise laser-diode (LD) based 1st-order pump, is proposed in this paper. In comparison to conventional bi-directional 1st-order DRA, the effective noise figure (ENF) is found to be lower by amount of 0 to 4 dB due to the RFL-based 2nd-order pump, depending on the on-off gain, while the low-noise 1st-order Raman pump is used for compensating the worsened signal-to-noise ratio (SNR) in the vicinity towards the far end of the fiber and avoiding the potential nonlinear impact induced by excess injection of pump power and suppressing the pump-signal relative intensity noise (RIN) transfer. As a result, the gain distribution can be optimized along ultra-long fiber link, due to combination of the 2nd-order RFL and low-noise 1st-order pumping, making the transmission distance be extended significantly. We utilized such a configuration to achieve ultra-long-distance distributed sensing based on Brillouin optical time-domain analysis (BOTDA). A repeater-less sensing distance record of up to 154.4 km with 5 m spatial resolution and ~ ± 1.4 °C temperature uncertainty is successfully demonstrated.

  7. The Viability of Phantom Dark Energy as a Quantum Field in 1st-Order FLRW Space

    NASA Astrophysics Data System (ADS)

    Ludwick, Kevin

    2017-01-01

    In the standard cosmological framework of the 0th-order FLRW metric and the use of perfect fluids in the stress-energy tensor, dark energy with an equation-of-state parameter w < - 1 (known as phantom dark energy) implies negative kinetic energy and vacuum instability when modeled as a scalar field. However, the accepted values for present-day w from Planck and WMAP9 include a significant range of values less than - 1 . We consider a more accurate description of the universe through the 1st-order perturbing of the isotropic and homogeneous FLRW metric and the components of the stress-energy tensor and investigate whether a field with an apparent w < - 1 may still have positive kinetic energy. Treating dark energy as a classical scalar field in this metric, we find that it is not as obvious as one might think that phantom dark energy has negative kinetic energy categorically. Analogously, we find that field models of quintessence dark energy (w > - 1) do not necessarily have positive kinetic energy categorically. We then investigate the same question treating dark energy as a quantum field in 1st-order FLRW space-time and examining the expectation value of the stress-energy tensor for w < - 1 using adiabatic expansion.

  8. Detection of 1st- and 2nd-order temporal-envelope cues in a patient with left superior cortical damage.

    PubMed

    Füllgrabe, Christian; Maillet, Didier; Moroni, Christine; Belin, Catherine; Lorenzi, Christian

    2004-06-01

    This psychophysical study explores the extent to which the auditory cortex is necessary for various aspects of temporal-envelope perception, that is, perception of the slow temporal modulations in amplitude known to be crucial for sound identification. The ability to detect 1st- and 2nd-order sinusoidal amplitude modulation (AM) is evaluated in a single patient showing left-hemisphere damage encroaching the primary and secondary auditory cortices. Here, 1st- and 2nd-order AM refer to (1) sinusoidal variation in the amplitude of a 2 kHz pure tone, and (2) sinusoidal variation in the depth of a 64 Hz AM applied to the 2 kHz pure tone, respectively. The results replicate previous findings by showing that damage to the left auditory cortex results in a selective deficit in auditory sensitivity to the lowest 1St-order AM (i.e., 1st-order AM frequencies < 16 Hz). Moreover, a dissociation is apparent between the ability to detect 1st- and 2nd-order temporal-envelope cues. The patient shows poorer than normal ability to detect 2nd-order AM at low frequencies ranging from 4-23 Hz, but normal ability to detect the high (64 Hz) 1st-order AM carrying these 2nd-order modulations. This result indicates that damage to the left primary and secondary auditory cortices affects the ability to detect temporal variations in the local properties of sounds(such as AM depth). It is also consistent with the idea that, as in vision, central nonlinear mechanisms are involved in the computation of such local (or 2nd-order) temporal properties.

  9. Experimental observations on the response of 1(st) and 2(nd) order fibre optic long period grating coupling bands to the deposition of nanostructured coatings.

    PubMed

    James, Stephen W; Cheung, C S; Tatam, Ralph P

    2007-10-01

    The sensitivity of attenuation bands corresponding to the 2(nd) order coupling to cladding modes by a fibre optic long period grating (LPG) to the deposition of nanostructured coatings is investigated and compared with that of the 1(st) order coupling. The experimental observations support previously reported theoretical descriptions of LPGs with nanoscale coatings.

  10. All-optical 1st- and 2nd-order differential equation solvers with large tuning ranges using Fabry-Pérot semiconductor optical amplifiers.

    PubMed

    Chen, Kaisheng; Hou, Jie; Huang, Zhuyang; Cao, Tong; Zhang, Jihua; Yu, Yuan; Zhang, Xinliang

    2015-02-09

    We experimentally demonstrate an all-optical temporal computation scheme for solving 1st- and 2nd-order linear ordinary differential equations (ODEs) with tunable constant coefficients by using Fabry-Pérot semiconductor optical amplifiers (FP-SOAs). By changing the injection currents of FP-SOAs, the constant coefficients of the differential equations are practically tuned. A quite large constant coefficient tunable range from 0.0026/ps to 0.085/ps is achieved for the 1st-order differential equation. Moreover, the constant coefficient p of the 2nd-order ODE solver can be continuously tuned from 0.0216/ps to 0.158/ps, correspondingly with the constant coefficient q varying from 0.0000494/ps(2) to 0.006205/ps(2). Additionally, a theoretical model that combining the carrier density rate equation of the semiconductor optical amplifier (SOA) with the transfer function of the Fabry-Pérot (FP) cavity is exploited to analyze the solving processes. For both 1st- and 2nd-order solvers, excellent agreements between the numerical simulations and the experimental results are obtained. The FP-SOAs based all-optical differential-equation solvers can be easily integrated with other optical components based on InP/InGaAsP materials, such as laser, modulator, photodetector and waveguide, which can motivate the realization of the complicated optical computing on a single integrated chip.

  11. 1st and 2nd order Raman scattering from n-Graphene Layer (nGL) Films on Silicon Substrates.

    NASA Astrophysics Data System (ADS)

    Gupta, Awnish; Chen, Gugang; Eklund, Peter

    2007-03-01

    Results of room temperature Raman scattering experiments on graphene and n-graphene layer films (nGLs) will be presented [1]. We find that the G band at ˜ 1582 cm-1 exhibits an interesting upshift in frequency with 1/n which we tentatively assign to a surface strain phenomenon connected with surface roughness of the substrate and compensated by the increase in stiffness of the nGL with increasing n. Interesting n-specific bands are observed in the ˜1350 cm-1 (or D-band) region which may correlate with deviations from planarity of the nGL. The second order scattering is very interesting and for small n (n<4) the (2D' or G') band intensity at ˜ 2700 cm-1 is actually higher than the first-order G-band scattering. The shape of this band is sensitive to n and thus can be used to identify n without an AFM measurement. Whereas, the 2D' band is sensitive to n, the 2nd order 2G band ˜ 3248 cm-1 is independent of n. These observations will be discussed in terms of the phonon and electronic dispersion of nGLs. 1 A. Gupta, G. Chen, P. Joshi, S. Tadigadapa and P.C. Eklund, `` Raman Scattering from High-Frequency Phonons in Supported n-Graphene Layer Films'' NanoLett (in Press).

  12. Signal processing of MEMS gyroscope arrays to improve accuracy using a 1st order Markov for rate signal modeling.

    PubMed

    Jiang, Chengyu; Xue, Liang; Chang, Honglong; Yuan, Guangmin; Yuan, Weizheng

    2012-01-01

    This paper presents a signal processing technique to improve angular rate accuracy of the gyroscope by combining the outputs of an array of MEMS gyroscope. A mathematical model for the accuracy improvement was described and a Kalman filter (KF) was designed to obtain optimal rate estimates. Especially, the rate signal was modeled by a first-order Markov process instead of a random walk to improve overall performance. The accuracy of the combined rate signal and affecting factors were analyzed using a steady-state covariance. A system comprising a six-gyroscope array was developed to test the presented KF. Experimental tests proved that the presented model was effective at improving the gyroscope accuracy. The experimental results indicated that six identical gyroscopes with an ARW noise of 6.2 °/√h and a bias drift of 54.14 °/h could be combined into a rate signal with an ARW noise of 1.8 °/√h and a bias drift of 16.3 °/h, while the estimated rate signal by the random walk model has an ARW noise of 2.4 °/√h and a bias drift of 20.6 °/h. It revealed that both models could improve the angular rate accuracy and have a similar performance in static condition. In dynamic condition, the test results showed that the first-order Markov process model could reduce the dynamic errors 20% more than the random walk model.

  13. Embryonic development of chicken (Gallus Gallus Domesticus) from 1st to 19th day-ectodermal structures.

    PubMed

    Toledo Fonseca, Erika; De Oliveira Silva, Fernanda Menezes; Alcântara, Dayane; Carvalho Cardoso, Rafael; Luís Franciolli, André; Sarmento, Carlos Alberto Palmeira; Fratini, Paula; José Piantino Ferreira, Antônio; Miglino, Maria Angélica

    2013-12-01

    Birds occupy a prominent place in the Brazilian economy not only in the poultry industry but also as an animal model in many areas of scientific research. Thus the aim of this study was to provide a description of macro and microscopic aspects of the ectoderm-derived structures in chicken embryos / fetuses poultry (Gallus gallus domesticus) from 1st to 19th day of incubation. 40 fertilized eggs, from a strain of domestic chickens, with an incubation period of 2-19 days were subjected to macroscopic description, biometrics, light, and scanning microscopy. All changes observed during the development were described. The nervous system, skin and appendages and organs related to vision and hearing began to be identified, both macro and microscopically, from the second day of incubation. The vesicles from the primitive central nervous system-forebrain, midbrain, and hindbrain-were identified on the third day of incubation. On the sixth day of incubation, there was a clear vascularization of the skin. The optic vesicle was first observed fourth day of development and on the fifth day there was the beginning of the lens formation. Although embryonic development is influenced by animal line as well as external factors such as incubation temperature, this paper provides a chronological description for chicken (Gallus gallus domesticus) during its embryonic development.

  14. Joint U.S./Japan Conference on Adaptive Structures, 1st, Maui, HI, Nov. 13-15, 1990, Proceedings

    NASA Astrophysics Data System (ADS)

    Wada, Ben K.; Fanson, James L.; Miura, Koryo

    1991-11-01

    The present volume of adaptive structures discusses the development of control laws for an orbiting tethered antenna/reflector system test scale model, the sizing of active piezoelectric struts for vibration suppression on a space-based interferometer, the control design of a space station mobile transporter with multiple constraints, and optimum configuration control of an intelligent truss structure. Attention is given to the formulation of full state feedback for infinite order structural systems, robustness issues in the design of smart structures, passive piezoelectric vibration damping, shape control experiments with a functional model for large optical reflectors, and a mathematical basis for the design optimization of adaptive trusses in precision control. Topics addressed include approaches to the optimal adaptive geometries of intelligent truss structures, the design of an automated manufacturing system for tubular smart structures, the Sandia structural control experiments, and the zero-gravity dynamics of space structures in parabolic aircraft flight.

  15. Joint U.S./Japan Conference on Adaptive Structures, 1st, Maui, HI, Nov. 13-15, 1990, Proceedings

    NASA Technical Reports Server (NTRS)

    Wada, Ben K. (Editor); Fanson, James L. (Editor); Miura, Koryo (Editor)

    1991-01-01

    The present volume of adaptive structures discusses the development of control laws for an orbiting tethered antenna/reflector system test scale model, the sizing of active piezoelectric struts for vibration suppression on a space-based interferometer, the control design of a space station mobile transporter with multiple constraints, and optimum configuration control of an intelligent truss structure. Attention is given to the formulation of full state feedback for infinite order structural systems, robustness issues in the design of smart structures, passive piezoelectric vibration damping, shape control experiments with a functional model for large optical reflectors, and a mathematical basis for the design optimization of adaptive trusses in precision control. Topics addressed include approaches to the optimal adaptive geometries of intelligent truss structures, the design of an automated manufacturing system for tubular smart structures, the Sandia structural control experiments, and the zero-gravity dynamics of space structures in parabolic aircraft flight.

  16. Nonlinear random motion analysis of coupled heave-pitch motions of a spar platform considering 1st-order and 2nd-order wave loads

    NASA Astrophysics Data System (ADS)

    Liu, Shuxiao; Tang, Yougang; Li, Wei

    2016-06-01

    In this study, we consider first- and second-order random wave loads and the effects of time-varying displacement volume and transient wave elevation to establish motion equations of the Spar platform's coupled heave-pitch. We generated random wave loads based on frequency-domain wave load transfer functions and the Joint North Sea Wave Project (JONSWAP) wave spectrum, designed program codes to solve the motion equations, and then simulated the coupled heave-pitch motion responses of the platform in the time domain. We then calculated and compared the motion responses in different sea conditions and separately investigated the effects of second-order random wave loads and transient wave elevation. The results show that the coupled heave-pitch motion responses of the platform are primarily dominated by wave height and the characteristic wave period, the latter of which has a greater impact. Second-order mean wave loads mainly affect the average heave value. The platform's pitch increases after the second-order low frequency wave loads are taken into account. The platform's heave is underestimated if the transient wave elevation term in the motion equations is neglected.

  17. The truncated Newton using 1st and 2nd order adjoint-state method: a new approach for traveltime tomography without rays

    NASA Astrophysics Data System (ADS)

    Bretaudeau, F.; Metivier, L.; Brossier, R.; Virieux, J.

    2013-12-01

    named as the truncated Newton (TCN) (Métivier et al. 2012) with a more accurate estimation of the impact of the Hessian. We propose an efficient implementation for first-arrival traveltime tomography. In TCN, the model update Δm is obtained through the iterative resolution of the Newton linear system H Δm = - g. Based on a matrix-free conjugate gradient resolution, the iterative solver requires only the computation of the gradient and of Hessian-vector products. We propose a generalization of the computation of the gradient using the adjoint-state method that allows to consider receivers located anywhere. Then the Hessian-vector products are computed using an original formulation based on a 2nd-order adjoint-state method, at the cost of an additional forward modeling. The TCN algorithm is composed of two nested loops: an internal loop to compute Δm, and an external loop where a line search is performed to update the subsurface parameters. TCN thus considers locally the inversion of the traveltime data using an estimation of the full Hessian (both 1st and 2nd order terms) at an acceptable cost. Tomography with TCN is an improvement over the simple gradient-based adjoint-state tomography due to its good convergence property, to the better consideration of illumination, and is a promising tool for multi-parameter inversion as rescaling is given by the Hessian.

  18. Thermal structures and materials for high-speed flight; Collection of Papers of the 1st Thermal Structures Conference, University of Virginia, Charlottesville, Nov. 13-15, 1990

    NASA Astrophysics Data System (ADS)

    Thornton, Earl A.

    The present conference discusses aerobrake-maneuver vehicle aerothermodynamics, aerothermal issues in the structural design of high speed vehicles, laser surface-alloying of superlight metals with ceramic surfaces, high-temperature Al alloys for supersonic and hypersonic vehicles, advanced metallics for high temperature airframes, novel materials for engine applications, and the development status of computational methods for high temperature structural design. Also discussed are a transient thermal-structural analysis using adaptive unstructured remeshing and mesh movement, the FEM thermoviscoplastic analysis of aerospace structures, hot-structures testing techniques, a thermal-structural analysis of a carbon-carbon/refractory metal heat pipe-cooled leading edge, dynamic effects in thermoviscoplastic structures, microlevel thermal effects in metal-matrix composites (MMCs), thermomechanical effects in the plasma spray manufacture of MMC monotapes, and intelligent HIP processing. Most of the presentations at this conference were abstracted previously (see A91-16027 to A91-16047).

  19. Orthogonal Higher Order Structure of the Wechsler Intelligence Scale for Children--Fourth Edition

    ERIC Educational Resources Information Center

    Watkins, Marley W.

    2006-01-01

    According to J. B. Carroll's (1993) 3-stratum theory, performance on any subtest reflects a mixture of both 2nd-order and 1st-order factors. To disentangle these influences, variance explained by the general factor should be extracted first. The 1st-order factors are then residualized, leaving them orthogonal to the general factor and each other.…

  20. Radiocarbon dating and wiggle matching of wooden poles forming circular structures in the 1st Millennium BC at the Mawaki archaeological site, central Japan

    NASA Astrophysics Data System (ADS)

    Nishimoto, Hiroshi; Nakamura, Toshio; Takada, Hideki

    2010-04-01

    Wooden circular structures, presumed archaeologically as a structure related with ritual of ancient people in the Final Jomon period, are specific to archaeological sites excavated mainly in the coastal region around Noto peninsula, central Japan. So far, only few attempts have been made at chronological studies on these wooden structures. 14C dating has been attempted to wooden poles forming the structures, which had been excavated at the Mawaki archaeological site, Ishikawa prefecture, central Japan, to examine construction period of the structures. It was revealed that these structures were constructed in the Final Jomon period, most probably within 900-400 cal BC. In addition, we have tried wiggle matching of 14C ages for several annual rings separated from three and two poles that were constituting two circular structures, the oldest and the newest ones. 14C dates of annual rings measured with AMS were wiggle-matched to IntCal04 data sets by Bayesian statistics. The results indicated that the construction period of these wooden structures can be placed within ca. 820-680 cal BC, being narrowed by about 350 calendar years successfully.

  1. Computational structures technology; Proceedings of the 1st International Conference, Heriot-Watt Univ., Edinburgh, United Kingdom, Aug. 20-22, 1991

    NASA Astrophysics Data System (ADS)

    Topping, B. H. V.; Khan, Asad I.

    1992-08-01

    Consideration is given to 3D finite element modeling of normal- and high-strength reinforced concrete members, with special reference to T-beams; a spectral element method for 2D wave propagation in horizontally layered saturated porous media; alternative methods for the optimal design of slender steel frameworks; digital interpolation in mixed finite element structural analysis; a finite element method applied to the analysis of high-fidelity loudspeaker transducers; and an efficient eight-node incompatible solid element with stress interpolation. Attention is also given to a mixed formulation of nonlinear-elastic problems, nonlinear water-wave structure interaction, chaotic dynamic analysis of viscoelastic shallow spherical shells, nonlinear analysis of a beam subjected to axial and transverse loads, comparison of performance of a flat faceted shell element and a degenerated superparametric shell element, and a database design method for finite element analysis. (For individual items see A93-10268 to A93-10274)

  2. Ordering structured populations in multiplayer cooperation games

    PubMed Central

    Peña, Jorge; Wu, Bin; Traulsen, Arne

    2016-01-01

    Spatial structure greatly affects the evolution of cooperation. While in two-player games the condition for cooperation to evolve depends on a single structure coefficient, in multiplayer games the condition might depend on several structure coefficients, making it difficult to compare different population structures. We propose a solution to this issue by introducing two simple ways of ordering population structures: the containment order and the volume order. If population structure is greater than population structure in the containment or the volume order, then can be considered a stronger promoter of cooperation. We provide conditions for establishing the containment order, give general results on the volume order, and illustrate our theory by comparing different models of spatial games and associated update rules. Our results hold for a large class of population structures and can be easily applied to specific cases once the structure coefficients have been calculated or estimated. PMID:26819335

  3. "Hard Science" for Gifted 1st Graders

    ERIC Educational Resources Information Center

    DeGennaro, April

    2006-01-01

    "Hard Science" is designed to teach 1st grade gifted students accurate and high level science concepts. It is based upon their experience of the world and attempts to build a foundation for continued love and enjoyment of science. "Hard Science" provides field experiences and opportunities for hands-on discovery working beside experts in the field…

  4. ["1st Therapeutic Red Cross Hospital" during the civil war].

    PubMed

    Simonenko, V B; Abashin, V G

    2014-04-01

    The article presents the documentary information about the founding, the establishment and early years of the 1st Therapeutic Red Cross Hospital - in the future - Mandryka Central Military Clinical Hospital of the Ministry of Defence of the Russian Federation. Presented the work of the Hospital during the dificult period of the Civil War, typhus epidemic, famine and devastation. Specified its staffing structure, command, medical and administrative staff, travel and accommodation till the moment of the deployment in the Silver Lane in Moscow.

  5. Orthogonal higher order structure and confirmatory factor analysis of the French Wechsler Adult Intelligence Scale (WAIS-III).

    PubMed

    Golay, Philippe; Lecerf, Thierry

    2011-03-01

    According to the most widely accepted Cattell-Horn-Carroll (CHC) model of intelligence measurement, each subtest score of the Wechsler Intelligence Scale for Adults (3rd ed.; WAIS-III) should reflect both 1st- and 2nd-order factors (i.e., 4 or 5 broad abilities and 1 general factor). To disentangle the contribution of each factor, we applied a Schmid-Leiman orthogonalization transformation (SLT) to the standardization data published in the French technical manual for the WAIS-III. Results showed that the general factor accounted for 63% of the common variance and that the specific contributions of the 1st-order factors were weak (4.7%-15.9%). We also addressed this issue by using confirmatory factor analysis. Results indicated that the bifactor model (with 1st-order group and general factors) better fit the data than did the traditional higher order structure. Models based on the CHC framework were also tested. Results indicated that a higher order CHC model showed a better fit than did the classical 4-factor model; however, the WAIS bifactor structure was the most adequate. We recommend that users do not discount the Full Scale IQ when interpreting the index scores of the WAIS-III because the general factor accounts for the bulk of the common variance in the French WAIS-III. The 4 index scores cannot be considered to reflect only broad ability because they include a strong contribution of the general factor.

  6. 28. ENGINE CLUSTER OF 1ST STAGE OF A SATURN I ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    28. ENGINE CLUSTER OF 1ST STAGE OF A SATURN I ROCKET ENGINE LOCATED ON NORTH SIDE OF STATIC TEST STAND. - Marshall Space Flight Center, Saturn Propulsion & Structural Test Facility, East Test Area, Huntsville, Madison County, AL

  7. VIEW SOUTH/SOUTHEAST LOOKING DOWN ON 2ND AQUEDUCT AND 1ST AQUEDUCT ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    VIEW SOUTH/SOUTHEAST LOOKING DOWN ON 2ND AQUEDUCT AND 1ST AQUEDUCT CASCADES TOWARDS FILTRATION PLANT AND LOS ANGELES RESERVOIR - Los Angeles Aqueduct, Cascades Structures, Los Angeles, Los Angeles County, CA

  8. Ordered macromolecular structures in ferrofluid mixtures

    SciTech Connect

    Hayter, J.B.; Pynn, R.; Charles, S.; Skjeltorp, A.T.; Trewhella, J.; Stubbs, G.; Timmins, P.

    1989-04-03

    We have observed ordering of dilute dispersions of spherical and cylindrical macromolecules in magnetized ferrofluids. The order results from structural correlations between macromolecular and ferrofluid particles rather than from macroscopic magnetostatic effects. We have aligned elongated macromolecules by this technique and have obtained anisotropic neutron-diffraction patterns, which reflect the internal structure of the macromolecules. The method provides a tool for orienting suspended macromolecular assemblies which are not amenable to conventional alignment techniques.

  9. Next-order structure-function equations

    NASA Astrophysics Data System (ADS)

    Hill, Reginald J.; Boratav, Olus N.

    2001-01-01

    Kolmogorov's equation [Dokl. Akad. Nauk SSSR 32, 16 (1941)] relates the two-point second- and third-order velocity structure functions and the energy dissipation rate. The analogous next higher-order two-point equation relates the third- and fourth-order velocity structure functions and the structure function of the product of pressure-gradient difference and two factors of velocity difference, denoted Tijk. The equation is simplified on the basis of local isotropy. Laboratory and numerical simulation data are used to evaluate and compare terms in the equation, examine the balance of the equation, and evaluate components of Tijk. Atmospheric surface-layer data are used to evaluate Tijk in the inertial range. Combined with the random sweeping hypothesis, the equation relates components of the fourth-order velocity structure function. Data show the resultant error of this application of random sweeping. The next-order equation constrains the relationships that have been suggested among components of the fourth-order velocity structure function. The pressure structure function, pressure-gradient correlation, and mean-squared pressure gradient are related to Tijk. Inertial range formulas are discussed.

  10. Structural order and disorder in Precambrian kerogens

    SciTech Connect

    Buseck, P.R.; Bo-Jun, H.; Miner, B.

    1988-01-01

    High-resolution transmission electron microscopy (HRTEM) has been used to examine the structures of a wide range of Precambrian kerogens from rocks with ages between 0.9 and 3.8 billion years. The authors find recognizable structural ordering in samples that show little or no evidence of crystallinity by powder X-ray diffraction measurements. A wide range in degree of ordering is evident in the HRTEM images. A rough correlation exists between the ordering displayed in the HRTEM images and both the sample ages and their H/C ratios. Many kerogen samples are structurally heterogeneous, possibly reflecting a variety of precursors, and source regions. The observed structural heterogeneities probably extend to other parameters; when isotopic and X-ray measurements can be made on the same scale as HRTEM images, similar scatter presumably will also be evident.

  11. Higher order structure of aquaporin-4.

    PubMed

    Nicchia, G P; Rossi, A; Mola, M G; Pisani, F; Stigliano, C; Basco, D; Mastrototaro, M; Svelto, M; Frigeri, A

    2010-07-28

    Unlike other mammalian AQPs, multiple tetramers of AQP4 associate in the plasma membrane to form peculiar structures called Orthogonal Arrays of Particles (OAPs), that are observable by freeze-fracture electron microscopy (FFEM). However, FFEM cannot give information about the composition of OAPs of different sizes, and due to its technical complexity is not easily applicable as a routine technique. Recently, we employed the 2D gel electrophoresis BN-SDS/PAGE that for the first time enabled the biochemical isolation of AQP4-OAPs from several tissues. We found that AQP4 protein is present in several higher-order complexes (membrane pools of supra-structures) which contain different ratios of M1/M23 isoforms corresponding to AQP4-OAPs of different size. In this paper, we illustrate in detail the potentiality of 2D BN/SDS-PAGE for analyzing AQP4 supra-structures, their relationship with the dystrophin glycoprotein complex and other membrane proteins, and their role as a specific target of Neuromyelitis Optica autoantibodies.

  12. Characterization of Imposed Ordered Structures in MDPX

    NASA Astrophysics Data System (ADS)

    Hall, Taylor; Thomas, Edward; Konopka, Uwe; Merlino, Robert; Rosenberg, Marlene

    2016-10-01

    It is well understood that the microparticles in complex, or dusty, plasmas will form self-consistent crystalline patterns at the proper plasma parameters. In the Magnetized Dusty Plasma Experiment (MDPX) device, studies have been made of imposed, ordered structuring of the dust particles to a two dimensional grid. At high magnetic field (B >1 Tesla), the dust particles are shown to become spatially oriented to the structure of a wire mesh embedded in an electrically floating, upper electrode while the particles are suspended in a plasma that is generated by the powered, lower electrode in the experiment. With even higher magnetic field (B >2 Tesla), the particles become strongly confined to the mesh pattern with the particles constrained to a quasi-discreet motion that closely follows the mesh pattern. This presentation characterizes the structure of the potential energy well in which the dust particles are trapped through observation of particle motion and measurement of the thermal properties of the particles. This work is supported by funding from the U. S. Department of Energy Grant Number DE - SC0010485 and the NASA/Jet Propulsion Laboratory, JPL-1543114.

  13. EMSL Quarterly Highlights Report: 1st Quarter, FY08

    SciTech Connect

    Showalter, Mary Ann

    2008-01-28

    The EMSL Quarterly Highlights Report covers the science, staff and user recognition, and publication activities that occurred during the 1st quarter (October 2007 - December 2007) of Fiscal Year 2008.

  14. ISS Update: 1st Annual ISS R&D Conference

    NASA Video Gallery

    NASA Public Affairs Officer Kelly Humphries talks by phone on Wednesday with Julie Robinson, ISS Program Scientist, about the 1st Annual International Space Station Research and Development Confere...

  15. EMSL Quarterly Highlights Report: 1st Quarter, Fiscal Year 2009

    SciTech Connect

    Showalter, Mary Ann; Kathmann, Loel E.; Manke, Kristin L.

    2009-02-02

    The EMSL Quarterly Highlights Report covers the science, staff and user recognition, and publication activities that occurred during the 1st quarter (October 2008 - December 2008) of Fiscal Year 2009.

  16. Electronic Health Records Place 1st at Indy 500

    MedlinePlus

    ... Navigation Bar Home Current Issue Past Issues EHR Electronic Health Records Place 1st at Indy 500 Past ... last May's Indy 500 had thousands of personal Electronic Health Records on hand for those attending—and ...

  17. Structural Marginality and the Urban Social Order.

    ERIC Educational Resources Information Center

    Kapferer, Bruce

    1978-01-01

    This article argues for a redefinition of "Marginality" in terms of the principles that influence the developing order of the urban formation as a whole. The emerging social order and the political participation of residents of two shanty areas in Kabwe, Zambia are traced over a period of 40 years. (Author/EB)

  18. Chromatin Higher-order Structure and Dynamics

    PubMed Central

    Woodcock, Christopher L.; Ghosh, Rajarshi P.

    2010-01-01

    The primary role of the nucleus as an information storage, retrieval, and replication site requires the physical organization and compaction of meters of DNA. Although it has been clear for many years that nucleosomes constitute the first level of chromatin compaction, this contributes a relatively small fraction of the condensation needed to fit the typical genome into an interphase nucleus or set of metaphase chromosomes, indicating that there are additional “higher order” levels of chromatin condensation. Identifying these levels, their interrelationships, and the principles that govern their occurrence has been a challenging and much discussed problem. In this article, we focus on recent experimental advances and the emerging evidence indicating that structural plasticity and chromatin dynamics play dominant roles in genome organization. We also discuss novel approaches likely to yield important insights in the near future, and suggest research areas that merit further study. PMID:20452954

  19. Ruthenium indenylidene “1st generation” olefin metathesis catalysts containing triisopropyl phosphite

    PubMed Central

    Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M Z

    2015-01-01

    Summary The reaction of triisopropyl phosphite with phosphine-based indenylidene pre-catalysts affords “1st generation” cis-complexes. These have been used in olefin metathesis reactions. The cis-Ru species exhibit noticeable differences with the trans-Ru parent complexes in terms of structure, thermal stability and reactivity. Experimental data underline the importance of synergistic effects between phosphites and L-type ligands. PMID:26425210

  20. The 1st of April 2470 BC Total Solar Eclipse Seen by the Prophet Ibraheem

    NASA Astrophysics Data System (ADS)

    Yousef, S. M.

    The Holy Quran describes a phenomenon seen by young Abraham that can only fit a solar eclipse. Two criteria were given for this particular eclipse; first only one planet was seen as soon as it got dark and second no corona was seen. In order to justify the first selection rule, examinations of solar and planetary longitudes for total solar eclipses passing over Babel were carried out. Only the eclipse of the 1st of April 2470 BC meets this condition, as it was only Venus that was seen at that eclipse. The second selection rule was also naturally fulfilled, as Babel happened to be on the border of the totality zone hence no corona was seen, however all the time the moon glistened as Baily's beads. There is no doubt that the prophet Abraham witnessed the 1st of April total solar eclipse that passed over Babel. This will put him about 470 years backward than it was previously anticipated.

  1. Idaho National Laboratory Quarterly Performance Analysis - 1st Quarter FY2015

    SciTech Connect

    Mitchell, Lisbeth A.

    2015-03-01

    This report is published quarterly by the Idaho National Laboratory (INL) Quality and Performance Management Organization. The Department of Energy (DOE) Occurrence Reporting and Processing System (ORPS), as prescribed in DOE Order 232.2, “Occurrence Reporting and Processing of Operations Information,” requires a quarterly analysis of events, both reportable and not reportable, for the previous 12 months. This report is the analysis of 73 reportable events (27 from the 1St Qtr FY-15 and 46 from the prior three reporting quarters), as well as 38 other issue reports (including nine not reportable events and Significant Category A and B conditions reported during the1st Qtr FY-15) identified at INL during the past 12 months.

  2. [Granuloma Gravidarum in a 37-year-old 1st Gravida, 1st Para--A Case Report].

    PubMed

    Findeklee, S

    2015-10-01

    The granuloma gravidarum is a rare benign tumour with gingival origin. It occurs in circa 0.2% of pregnancies. Mostly we see an asymptomatic course of disease terminated by hormonal changes after delivery. If the granuloma is associated with complaints of the pregnant woman, for example masticational pain or recurrent bleedings, therapeutic options are conservative therapy, surgery or delivery. We report the case of a 37-year-old 1st gravida, 1st para who had an induced delivery in the 39+2 gestational week because of a symptomatic granuloma gravidarum. We saw a spontaneous remission of the granuloma within 3 months post partum. The case report underlines the importance of suitable information for pregnant women about oral hygiene and the necessity of regular dental controls during pregnancy for prophylaxis of granuloma gravidarum.

  3. Universal first-order reliability concept applied to semistatic structures

    NASA Astrophysics Data System (ADS)

    Verderaime, V.

    1994-07-01

    A reliability design concept was developed for semistatic structures which combines the prevailing deterministic method with the first-order reliability method. The proposed method surmounts deterministic deficiencies in providing uniformly reliable structures and improved safety audits. It supports risk analyses and reliability selection criterion. The method provides a reliability design factor derived from the reliability criterion which is analogous to the current safety factor for sizing structures and verifying reliability response. The universal first-order reliability method should also be applicable for air and surface vehicles semistatic structures.

  4. Universal first-order reliability concept applied to semistatic structures

    NASA Technical Reports Server (NTRS)

    Verderaime, V.

    1994-01-01

    A reliability design concept was developed for semistatic structures which combines the prevailing deterministic method with the first-order reliability method. The proposed method surmounts deterministic deficiencies in providing uniformly reliable structures and improved safety audits. It supports risk analyses and reliability selection criterion. The method provides a reliability design factor derived from the reliability criterion which is analogous to the current safety factor for sizing structures and verifying reliability response. The universal first-order reliability method should also be applicable for air and surface vehicles semistatic structures.

  5. On the state estimation of structures with second order observers

    NASA Technical Reports Server (NTRS)

    Belvin, W. Keith; Park, K. C.

    1989-01-01

    The use of Linear Quadratic Regulator (LQR) control synthesis techniques implies the availability of full state feedback. For vibration control of structures, usually only a limited number of states are measured from which an observer model reconstructs the full state. It is shown that using second order observers is a viable technique for reconstructing the unmeasured states of structures under mildly restrictive conditions. Moreover, the computational advantages of the second order observer as compared to a first order observer indicate that significantly larger observer models may be utilized. Numerical examples are used to demonstrate the performance of second order observers. The implications of second order observers in the development of Controls-Structures Interaction (CSI) technology is discussed.

  6. The 1st All-Russian Workshop on Archaeoastronomy

    NASA Astrophysics Data System (ADS)

    Bochkarev, Nikolai G.

    2007-08-01

    The 1st All-Russia Workshop on Archaeoastronomy “Astronomical and World-Outlook Meaning of the Archaeological Monuments of South Ural” was held on June 19-25, 2006, at the ground of the archaeological center “Arkaim” (Chelyabinsk Region). Besides about 30 talks, astronomical measurements were performed at two archaeological objects under intensive study: Arkaim Site (Bronze Epoch, XVIII-XVI c. B.C.) and tumuli “with whiskers” complex Kondurovsky (V-VIII c. A.D.). The promising character of the megalithic complex on the Vera Island (Lake Turgoyak) was stated.

  7. A Preliminary to War: The 1st Aero Squadron and the Mexican Punitive Expedition of 1916

    DTIC Science & Technology

    2003-01-01

    ordered a reconnaissance along the Mexican Northwestern railroad south toward Cumbre Pass in the Sierra Madre mountains. Dodd and Foulois flew this...Casas Grandes and Galeana Valleys ranged between 6,000 and 7,000 feet, and that Cumbre Pass lay at about 9,000 feet. All of these altitudes were higher...of the Cumbre Pass tunnel, but could go no farther. For two hours, 25 The 1st Aero Squadron in Mexico; probably following a mission by Signal Corps No

  8. Orthogonal Higher Order Structure and Confirmatory Factor Analysis of the French Wechsler Adult Intelligence Scale (WAIS-III)

    ERIC Educational Resources Information Center

    Golay, Philippe; Lecerf, Thierry

    2011-01-01

    According to the most widely accepted Cattell-Horn-Carroll (CHC) model of intelligence measurement, each subtest score of the Wechsler Intelligence Scale for Adults (3rd ed.; WAIS-III) should reflect both 1st- and 2nd-order factors (i.e., 4 or 5 broad abilities and 1 general factor). To disentangle the contribution of each factor, we applied a…

  9. Tensor Spectral Clustering for Partitioning Higher-order Network Structures

    PubMed Central

    Benson, Austin R.; Gleich, David F.; Leskovec, Jure

    2016-01-01

    Spectral graph theory-based methods represent an important class of tools for studying the structure of networks. Spectral methods are based on a first-order Markov chain derived from a random walk on the graph and thus they cannot take advantage of important higher-order network substructures such as triangles, cycles, and feed-forward loops. Here we propose a Tensor Spectral Clustering (TSC) algorithm that allows for modeling higher-order network structures in a graph partitioning framework. Our TSC algorithm allows the user to specify which higher-order network structures (cycles, feed-forward loops, etc.) should be preserved by the network clustering. Higher-order network structures of interest are represented using a tensor, which we then partition by developing a multilinear spectral method. Our framework can be applied to discovering layered flows in networks as well as graph anomaly detection, which we illustrate on synthetic networks. In directed networks, a higher-order structure of particular interest is the directed 3-cycle, which captures feedback loops in networks. We demonstrate that our TSC algorithm produces large partitions that cut fewer directed 3-cycles than standard spectral clustering algorithms. PMID:27812399

  10. Tensor Spectral Clustering for Partitioning Higher-order Network Structures.

    PubMed

    Benson, Austin R; Gleich, David F; Leskovec, Jure

    2015-01-01

    Spectral graph theory-based methods represent an important class of tools for studying the structure of networks. Spectral methods are based on a first-order Markov chain derived from a random walk on the graph and thus they cannot take advantage of important higher-order network substructures such as triangles, cycles, and feed-forward loops. Here we propose a Tensor Spectral Clustering (TSC) algorithm that allows for modeling higher-order network structures in a graph partitioning framework. Our TSC algorithm allows the user to specify which higher-order network structures (cycles, feed-forward loops, etc.) should be preserved by the network clustering. Higher-order network structures of interest are represented using a tensor, which we then partition by developing a multilinear spectral method. Our framework can be applied to discovering layered flows in networks as well as graph anomaly detection, which we illustrate on synthetic networks. In directed networks, a higher-order structure of particular interest is the directed 3-cycle, which captures feedback loops in networks. We demonstrate that our TSC algorithm produces large partitions that cut fewer directed 3-cycles than standard spectral clustering algorithms.

  11. Reduced-order models for vertical human-structure interaction

    NASA Astrophysics Data System (ADS)

    Van Nimmen, Katrien; Lombaert, Geert; De Roeck, Guido; Van den Broeck, Peter

    2016-09-01

    For slender and lightweight structures, the vibration serviceability under crowd- induced loading is often critical in design. Currently, designers rely on equivalent load models, upscaled from single-person force measurements. Furthermore, it is important to consider the mechanical interaction with the human body as this can significantly reduce the structural response. To account for these interaction effects, the contact force between the pedestrian and the structure can be modelled as the superposition of the force induced by the pedestrian on a rigid floor and the force resulting from the mechanical interaction between the structure and the human body. For the case of large crowds, however, this approach leads to models with a very high system order. In the present contribution, two equivalent reduced-order models are proposed to approximate the dynamic behaviour of the full-order coupled crowd-structure system. A numerical study is performed to evaluate the impact of the modelling assumptions on the structural response to pedestrian excitation. The results show that the full-order moving crowd model can be well approximated by a reduced-order model whereby the interaction with the pedestrians in the crowd is modelled using a single (equivalent) SDOF system.

  12. Smart structure control in matrix second order form

    NASA Astrophysics Data System (ADS)

    Diwekar, Anjali M.; Yedavalli, Rama K.

    1995-05-01

    Matrix second order systems arise in a variety of structural dynamics and control problems. The analysis and design of such systems is traditionally done in frequency domain or in time domain (state space framework). The formulation of the control design problem in matrix second order form (i.e., configuration space framework) has many advantages over first order state space form. In this paper, a novel approach for designing a stabilizing controller in a second-order model of piezoelectrically controlled flexible beam is proposed.

  13. Smart structure control in matrix second-order form

    NASA Astrophysics Data System (ADS)

    Diwekar, Anjali M.; Yedavalli, Rama K.

    1996-08-01

    Matrix second-order systems arise in a variety of structural dynamics and control problems. The analysis and design of such systems is traditionally done in the frequency domain or in the time domain (state space framework). The formulation of the control design problem in matrix second-order form (i.e. configuration space framework) has many advantages over first-order state-space form. In this paper, a novel approach for designing a stabilizing controller in a second-order model of a piezoelectrically controlled flexible beam is proposed.

  14. Symplectic structures related with higher order variational problems

    NASA Astrophysics Data System (ADS)

    Kijowski, Jerzy; Moreno, Giovanni

    2015-06-01

    In this paper, we derive the symplectic framework for field theories defined by higher order Lagrangians. The construction is based on the symplectic reduction of suitable spaces of iterated jets. The possibility of reducing a higher order system of partial differential equations to a constrained first-order one, the symplectic structures naturally arising in the dynamics of a first-order Lagrangian theory, and the importance of the Poincaré-Cartan form for variational problems, are all well-established facts. However, their adequate combination corresponding to higher order theories is missing in the literature. Here we obtain a consistent and truly finite-dimensional canonical formalism, as well as a higher order version of the Poincaré-Cartan form. In our exposition, the rigorous global proofs of the main results are always accompanied by their local coordinate descriptions, indispensable to work out practical examples.

  15. Correlating structural order with structural rearrangement in dusty plasma liquids: can structural rearrangement be predicted by static structural information?

    PubMed

    Su, Yen-Shuo; Liu, Yu-Hsuan; I, Lin

    2012-11-09

    Whether the static microstructural order information is strongly correlated with the subsequent structural rearrangement (SR) and their predicting power for SR are investigated experimentally in the quenched dusty plasma liquid with microheterogeneities. The poor local structural order is found to be a good alarm to identify the soft spot and predict the short term SR. For the site with good structural order, the persistent time for sustaining the structural memory until SR has a large mean value but a broad distribution. The deviation of the local structural order from that averaged over nearest neighbors serves as a good second alarm to further sort out the short time SR sites. It has the similar sorting power to that using the temporal fluctuation of the local structural order over a small time interval.

  16. First and second order convex approximation strategies in structural optimization

    NASA Technical Reports Server (NTRS)

    Fleury, C.

    1989-01-01

    In this paper, various methods based on convex approximation schemes are discussed that have demonstrated strong potential for efficient solution of structural optimization problems. First, the convex linearization method (Conlin) is briefly described, as well as one of its recent generalizations, the method of moving asymptotes (MMA). Both Conlin and MMA can be interpreted as first-order convex approximation methods that attempt to estimate the curvature of the problem functions on the basis of semiempirical rules. Attention is next directed toward methods that use diagonal second derivatives in order to provide a sound basis for building up high-quality explicit approximations of the behavior constraints. In particular, it is shown how second-order information can be effectively used without demanding a prohibitive computational cost. Various first-order and second-order approaches are compared by applying them to simple problems that have a closed form solution.

  17. Multilayer relaxation and surface structure of ordered alloys

    NASA Technical Reports Server (NTRS)

    Kobistek, Robert J.; Bozzolo, Guillermo; Ferrante, John; Schlosser, Herbert

    1993-01-01

    Using BFS, a new semiempirical method for alloys, we study the surface structure of fcc ordered binary alloys in the Ll(sub 2) structure (Ni3Al and Cu3Au). We show that the surface energy is lowest for the mixed composition truncation of the low-index faces of such systems. Also, we present results for the interlayer relaxations for planes close to the surface, revealing different relaxations for atoms of different species producing a rippled surface layer.

  18. 1st Workshop of the Canadian Society for Virology

    PubMed Central

    McCormick, Craig; Grandvaux, Nathalie

    2017-01-01

    The 1st Workshop of the Canadian Society for Virology (CSV2016) was a Special Workshop of the 35th Annual Meeting for the American Society for Virology, held on 18 June 2016 on the beautiful Virginia Tech campus in Blacksburg, Virginia. The workshop provided a forum for discussion of recent advances in the field, in an informal setting conducive to interaction with colleagues. CSV2016 featured two internationally-renowned Canadian keynote speakers who discussed translational virology research; American Society for Virology President Grant McFadden (then from University of Florida, now relocated to Arizona State University) who presented his studies of oncolytic poxviruses, while Matthew Miller (McMaster University) reviewed the prospects for a universal influenza vaccine. The workshop also featured a variety of trainee oral and poster presentations, and a panel discussion on the topic of the future of the CSV and virus research in Canada. PMID:28335511

  19. Higher-order structure of rRNA

    NASA Technical Reports Server (NTRS)

    Gutell, R. R.; Woese, C. R.

    1986-01-01

    A comparative search for phylogenetically covarying basepair replacements within potential helices has been the only reliable method to determine the correct secondary structure of the 3 rRNAs, 5S, 16S, and 23S. The analysis of 16S from a wide phylogenetic spectrum, that includes various branches of the eubacteria, archaebacteria, eucaryotes, in addition to the mitochondria and chloroplast, is beginning to reveal the constraints on the secondary structures of these rRNAs. Based on the success of this analysis, and the assumption that higher order structure will also be phylogenetically conserved, a comparative search was initiated for positions that show co-variation not involved in secondary structure helices. From a list of potential higher order interactions within 16S rRNA, two higher-order interactions are presented. The first of these interactions involves positions 570 and 866. Based on the extent of phylogenetic covariation between these positions while maintaining Watson-Crick pairing, this higher-order interaction is considered proven. The other interaction involves a minimum of six positions between the 1400 and 1500 regions of the 16S rRNA. Although these patterns of covariation are not as striking as the 570/866 interaction, the fact that they all exist in an anti-parallel fashion and that experimental methods previously implicated these two regions of the molecule in tRNA function suggests that these interactions be given serious consideration.

  20. Structure of ordered coaxial and scroll nanotubes: general approach.

    PubMed

    Khalitov, Zufar; Khadiev, Azat; Valeeva, Diana; Pashin, Dmitry

    2016-01-01

    The explicit formulas for atomic coordinates of multiwalled coaxial and cylindrical scroll nanotubes with ordered structure are developed on the basis of a common oblique lattice. According to this approach, a nanotube is formed by transfer of its bulk analogue structure onto a cylindrical surface (with a circular or spiral cross section) and the chirality indexes of the tube are expressed in the number of unit cells. The monoclinic polytypic modifications of ordered coaxial and scroll nanotubes are also discussed and geometrical conditions of their formation are analysed. It is shown that tube radii of ordered multiwalled coaxial nanotubes are multiples of the layer thickness, and the initial turn radius of the orthogonal scroll nanotube is a multiple of the same parameter or its half.

  1. Robust simulation of buckled structures using reduced order modeling

    NASA Astrophysics Data System (ADS)

    Wiebe, R.; Perez, R. A.; Spottswood, S. M.

    2016-09-01

    Lightweight metallic structures are a mainstay in aerospace engineering. For these structures, stability, rather than strength, is often the critical limit state in design. For example, buckling of panels and stiffeners may occur during emergency high-g maneuvers, while in supersonic and hypersonic aircraft, it may be induced by thermal stresses. The longstanding solution to such challenges was to increase the sizing of the structural members, which is counter to the ever present need to minimize weight for reasons of efficiency and performance. In this work we present some recent results in the area of reduced order modeling of post- buckled thin beams. A thorough parametric study of the response of a beam to changing harmonic loading parameters, which is useful in exposing complex phenomena and exercising numerical models, is presented. Two error metrics that use but require no time stepping of a (computationally expensive) truth model are also introduced. The error metrics are applied to several interesting forcing parameter cases identified from the parametric study and are shown to yield useful information about the quality of a candidate reduced order model. Parametric studies, especially when considering forcing and structural geometry parameters, coupled environments, and uncertainties would be computationally intractable with finite element models. The goal is to make rapid simulation of complex nonlinear dynamic behavior possible for distributed systems via fast and accurate reduced order models. This ability is crucial in allowing designers to rigorously probe the robustness of their designs to account for variations in loading, structural imperfections, and other uncertainties.

  2. Stable static structures in models with higher-order derivatives

    SciTech Connect

    Bazeia, D.; Lobão, A.S.; Menezes, R.

    2015-09-15

    We investigate the presence of static solutions in generalized models described by a real scalar field in four-dimensional space–time. We study models in which the scalar field engenders higher-order derivatives and spontaneous symmetry breaking, inducing the presence of domain walls. Despite the presence of higher-order derivatives, the models keep to equations of motion second-order differential equations, so we focus on the presence of first-order equations that help us to obtain analytical solutions and investigate linear stability on general grounds. We then illustrate the general results with some specific examples, showing that the domain wall may become compact and that the zero mode may split. Moreover, if the model is further generalized to include k-field behavior, it may contribute to split the static structure itself.

  3. Revealing Higher Order Protein Structure Using Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Chait, Brian T.; Cadene, Martine; Olinares, Paul Dominic; Rout, Michael P.; Shi, Yi

    2016-06-01

    The development of rapid, sensitive, and accurate mass spectrometric methods for measuring peptides, proteins, and even intact protein assemblies has made mass spectrometry (MS) an extraordinarily enabling tool for structural biology. Here, we provide a personal perspective of the increasingly useful role that mass spectrometric techniques are exerting during the elucidation of higher order protein structures. Areas covered in this brief perspective include MS as an enabling tool for the high resolution structural biologist, for compositional analysis of endogenous protein complexes, for stoichiometry determination, as well as for integrated approaches for the structural elucidation of protein complexes. We conclude with a vision for the future role of MS-based techniques in the development of a multi-scale molecular microscope.

  4. T1/ST2 promotes T helper 2 cell activation and polyfunctionality in bronchopulmonary mycosis.

    PubMed

    Piehler, D; Grahnert, A; Eschke, M; Richter, T; Köhler, G; Stenzel, W; Alber, G

    2013-03-01

    Interleukin (IL)-33 enhances T helper (Th)2 immunity via its receptor T1/ST2. Infection with the yeast-like pathogen Cryptococcus neoformans is usually controlled by a Th1-mediated immune response. The mechanisms responsible for nonprotective Th2 immunity leading to allergic inflammation in pulmonary cryptococcosis are still not fully understood. Using a murine pulmonary model of C. neoformans infection, we report that T1/ST2 expression correlates with the intensity of Th2 activation, as demonstrated by the expression of CD25 and CD44 and downregulation of CD62L. Antigen-specific T1/ST2(+) Th cells are the primary source of the Th2 cytokines IL-5 and IL-13 as compared with wild-type T1/ST2(-) Th cells or Th cells from T1/ST2(-/-) mice. In addition, T1/ST2(+) Th cells almost exclusively contain bi- and trifunctional Th2 cytokine-producing Th cells compared with T1/ST2(-) Th cells or Th cells from T1/ST2(-/-) mice. Finally, T1/ST2-driven Th2 development resulted in defective pulmonary fungal control. These data demonstrate that T1/ST2 directs Th2 cell activation and polyfunctionality in allergic bronchopulmonary mycosis.

  5. Illustrated structural application of universal first-order reliability method

    NASA Technical Reports Server (NTRS)

    Verderaime, V.

    1994-01-01

    The general application of the proposed first-order reliability method was achieved through the universal normalization of engineering probability distribution data. The method superimposes prevailing deterministic techniques and practices on the first-order reliability method to surmount deficiencies of the deterministic method and provide benefits of reliability techniques and predictions. A reliability design factor is derived from the reliability criterion to satisfy a specified reliability and is analogous to the deterministic safety factor. Its application is numerically illustrated on several practical structural design and verification cases with interesting results and insights. Two concepts of reliability selection criteria are suggested. Though the method was developed to support affordable structures for access to space, the method should also be applicable for most high-performance air and surface transportation systems.

  6. Extinction order and altered community structure rapidly disrupt ecosystem functioning.

    PubMed

    Larsen, Trond H; Williams, Neal M; Kremen, Claire

    2005-05-01

    By causing extinctions and altering community structure, anthropogenic disturbances can disrupt processes that maintain ecosystem integrity. However, the relationship between community structure and ecosystem functioning in natural systems is poorly understood. Here we show that habitat loss appeared to disrupt ecosystem functioning by affecting extinction order, species richness and abundance. We studied pollination by bees in a mosaic of agricultural and natural habitats in California and dung burial by dung beetles on recently created islands in Venezuela. We found that large-bodied bee and beetle species tended to be both most extinction-prone and most functionally efficient, contributing to rapid functional loss. Simulations confirmed that extinction order led to greater disruption of function than predicted by random species loss. Total abundance declined with richness and also appeared to contribute to loss of function. We demonstrate conceptually and empirically how the non-random response of communities to disturbance can have unexpectedly large functional consequences.

  7. The microscopic structure of charge order in cuprates

    NASA Astrophysics Data System (ADS)

    Comin, Riccardo

    2015-03-01

    The spontaneous self-arrangement of electrons into periodically modulated patterns, a phenomenon commonly termed as charge order or charge-density-wave (CDW), has recently resurfaced as a prominent, universal ingredient for the physics of high-temperature superconductors. In such context, resonant x-ray scattering (RXS) has rapidly become the technique of choice for the study of charge order in momentum space, owing to its ability to directly identify a breaking of translational symmetry in the electronic density. In this talk, I will present our recent RXS studies of charge order in Bi2201, which reconciled years of apparently disconnected findings in different cuprate families by showing how charge order is a universal phenomenon in hole-doped cuprates [R. Comin, et al., Charge Order Driven by Fermi-Arc Instability in Bi2Sr2 - xLaxCuO6 +d, Science 343, 390 (2014)]. Contextually, I will discuss very recent findings of charge order in NCCO, which project such phenomenology to the electron-doped materials [E. da Silva Neto*, R. Comin*, et al., Charge ordering in the electron-doped superconductor Nd2-xCexCuO4, accepted (2014) - preprint at: http://arxiv.org/abs/1410.2253]. Furthermore, in YBCO, we have succeeded to fully reconstruct the CDW order parameter in the two-dimensional momentum space and demonstrate how resonant x-ray methods can be used to peer into the microscopic structure and symmetry of the charge order. Using this new method, we have been able to demonstrate the presence of charge stripes at the nanoscale [R. Comin, et al., Broken translational and rotational symmetry via charge stripe order in underdoped YBa2Cu3O6 +y, under review (2014)], as well as evaluate the local symmetry in the charge distribution around the Cu atoms, which was found to be predominantly of a d-wave bond-order type [R. Comin, et al., The symmetry of charge order in cuprates, under review (2014) - preprint at: http://arxiv.org/abs/1402.5415].

  8. Ionic colloidal crystals: Ordered, multicomponent structures via controlled heterocoagulation.

    PubMed

    Maskaly, Garry R; García, R Edwin; Carter, W Craig; Chiang, Yet-Ming

    2006-01-01

    We propose a new type of ordered colloid, the "ionic colloidal crystal" (ICC), which is stabilized by attractive electrostatic interactions analogous to those in atomic ionic materials. The rapid self-organization of colloids via this method should result in a diversity of orderings that are analogous to ionic compounds. Most of these complex structures would be difficult to produce by other methods. We use a Madelung summation approach to evaluate the conditions where ICC's are thermodynamically stable. Using this model, we compare the relative electrostatic energies of various structures showing that the regions of ICC stability are determined by two dimensionless parameters representing charge balance and the spatial extent of the electrostatic interactions. Parallels and distinctions between ICC's and classical ionic crystals are discussed. Monte Carlo simulations are utilized to examine the glass transition and melting temperatures, between which crystallization can occur, of a model system having the rocksalt structure. These tools allow us to make a first-order prediction of the experimentally accessible regions of surface charge, particle size, ionic strength, and temperature where ICC formation is probable.

  9. 1st Advanced Marine Renewable Energy Instrumentation Experts Workshop

    SciTech Connect

    none,

    2011-10-01

    The U.S. marine energy industry is actively pursuing development of offshore wind and marine hydrokinetic (MHK) energy systems. Experience in the wind energy sector demonstrates that new technology development requires thorough measurement and characterization of the environmental conditions prevalent at installation sites and of technology operating in the field. Presently, there are no turn-key instrumentation system solutions that meet the measurement needs of the marine energy industry. The 1st Advanced Marine Renewable Energy Instrumentation Experts Workshop brought together technical experts from government laboratories, academia, and industry representatives from marine energy, wind, offshore oil and gas, and instrumentation developers to present and discuss the instrumentation needs of the marine energy industry. The goals of the meeting were to: 1. Share the latest relevant knowledge among technical experts; 2. Review relevant state-of-the-art field measurement technologies and methods; 3. Review lessons learned from recent field deployments; 4. Identify synergies across different industries; 5. Identify gaps between existing and needed instrumentation capabilities; 6. Understand who are the leading experts; 7. Provide a forum where stakeholders from the marine energy industry could provide substantive input in the development of new marine energy field deployable instrumentation packages.

  10. Structure of ordered and disordered {alpha}-brass

    SciTech Connect

    Mu''ller, S.; Zunger, Alex

    2001-03-01

    Alloys of copper and zinc (brass) have been widely used since Neolithic times due to the discovery that unlike regular copper this alloy can be worked ''cold'' around a 3:1 copper-to-zinc ratio. While it is now known that the as-grown system is a disordered fcc solid solution, no 3:1 ordered phase has yet been directly observed even though the negative mixing enthalpy of the disordered alloy suggests ordering tendencies. Moreover, neutron scattering experiments have been deduced that this disordered alloy contains peculiar chains of Zn atoms. We have expressed the first-principles calculated total energy of general Cu-Zn fcc-lattice configurations using a mixed-space cluster expansion. Application of Monte Carlo--simulated annealing to this generalized Ising-like Hamiltonian produces the predicted low-temperature ground state as well as finite-temperature phase diagram and short-range order. We find (i) that at low temperature the disordered fcc alloy will order into the DO{sub 23} structure, (ii) the high-temperature short-range order in close agreement with experiment, and (iii) chains of Zn atoms in the [001] direction, as seen experimentally. Furthermore, our model allows a detailed study of the influence and importance of strain on the phase stability.

  11. Topologically ordered magnesium-biopolymer hybrid composite structures.

    PubMed

    Oosterbeek, Reece N; Seal, Christopher K; Staiger, Mark P; Hyland, Margaret M

    2015-01-01

    Magnesium and its alloys are intriguing as possible biodegradable biomaterials due to their unique combination of biodegradability and high specific mechanical properties. However, uncontrolled biodegradation of magnesium during implantation remains a major challenge in spite of the use of alloying and protective coatings. In this study, a hybrid composite structure of magnesium metal and a biopolymer was fabricated as an alternative approach to control the corrosion rate of magnesium. A multistep process that combines metal foam production and injection molding was developed to create a hybrid composite structure that is topologically ordered in all three dimensions. Preliminary investigations of the mechanical properties and corrosion behavior exhibited by the hybrid Mg-polymer composite structures suggest a new potential approach to the development of Mg-based biomedical devices.

  12. Neutron scattering studies on chromatin higher-order structure

    SciTech Connect

    Graziano, V.; Gerchman, S.E.; Schneider, D.K.; Ramakrishnan, V.

    1994-12-31

    We have been engaged in studies of the structure and condensation of chromatin into the 30nm filament using small-angle neutron scattering. We have also used deuterated histone H1 to determine its location in the chromatin 30nm filament. Our studies indicate that chromatin condenses with increasing ionic strength to a limiting structure that has a mass per unit length of 6-7 nucleosomes/11 nm. They also show that the linker histone H1/H5 is located in the interior of the chromatin filament, in a position compatible with its binding to the inner face of the nucleosome. Analysis of the mass per unit length as a function of H5 stoichiometry suggests that 5-7 contiguous nucleosomes need to have H5 bound before a stable higher order structure can exist.

  13. Order-disorder structural transition in a confined fluid

    NASA Astrophysics Data System (ADS)

    de la Calleja-Mora, E. M.; Krott, Leandro B.; Barbosa, M. C.

    2016-05-01

    In this paper we analyze the amorphous/solid to disordered liquid structural phase transitions of an anomalous confined fluid in terms of their fractal dimensions. The model studied is composed by particles interaction through a two-length scales potential confined by two infinite plates. This fluid that in the bulk exhibits water-like anomalies under confinement forms layers of particles. We show that the fluid at the contact layer forms at high densities structures and transitions that can be mapped into fractal dimensions. The multi-fractal singularity spectrum is obtained in all these cases and it is used as the order parameter to quantify the structural transitions for each stage on the confined liquid. This mapping shows that the fractal dimension increases with the density and with the temperature.

  14. New structures in Pd-rich ordered alloys

    NASA Astrophysics Data System (ADS)

    Corbitt, Jacqueline; Gilmartin, Erin; Hart, Gus

    2009-03-01

    An intriguing intermetallic structure with 8:1 stoichiometry was discovered in the 1950s in the Pt-Ti system. Since then a handful of other Pt/Pd/Ni binary systems have been observed to exhibit this curious structure (Pt8Zr, Pd8Mo, Ni8Nb, etc). This ordered structure can significantly increase the hardness of an alloy. For jewelry applications involving Pt and Pd, international hallmarking standards require that the alloys be at least 95% pure by weight. However, Pt- and Pd-rich alloys are often soft when purity is high if the minority atoms are disordered. Because the 8:1 structure maintains a high weight percentage of Pt/Pd, it can satisfy purity standards while increasing performance. Recent calculations and experiments suggest that the 8:1 structure may form in about 20 previously unsuspected Pt/Pd binary systems. Using first-principles calculations and cluster expansion modeling, we have performed a ground state search to find the stable structures in Pd-Nb and Pd-Cu. In collaboration with Candace Lang's group at University of Capetown South Africa, we are working to experimentally validate the predicted ground states.

  15. New structures in Pd-rich ordered alloys

    NASA Astrophysics Data System (ADS)

    Corbitt, Jacqueline; Gilmartin, Erin; Hart, Gus

    2010-03-01

    An intriguing intermetallic structure with 8:1 stoichiometry was discovered in 1959 in the Pt-Ti system. Since then a handful of other Pt/Pd/Ni binary systems have been observed to exhibit this structure (Pt8Zr, Pd8Mo, Ni8Nb, etc). Precipitates of this ordered structure can significantly increase the hardness of an alloy. For jewelry applications involving Pt and Pd, international hallmarking standards require that the alloys be at least 95% pure by weight. However, Pt- and Pd-rich alloys are often too soft for jewelry applications when purity is high and the minority atoms are disordered. Because the 8:1 structure maintains a high weight percentage of Pt/Pd, it can satisfy hallmarking while increasing performance. Recent calculations and experiments suggest that the 8:1 structure may form in about 20 previously unsuspected Pt/Pd binary systems. Using first-principles calculations and cluster expansion modeling, we have performed a ground state search to find the stable structures in Pd-Nb and Pd-Cu. In collaboration with Candace Lang's group at University of Capetown South Africa, we are working to experimentally validate the predicted ground states.

  16. New structures in Pd-rich ordered alloys

    NASA Astrophysics Data System (ADS)

    Corbitt, Jacqueline; Gilmartin, Erin; Hart, Gus

    2010-10-01

    An intriguing intermetallic structure with 8:1 stoichiometry was discovered in the 1950s in the Pt-Ti system. Since then a handful of other Pt/Pd/Ni binary systems have been observed to exhibit this curious structure (Pt8Zr, Pd8Mo, Ni8Nb, etc). This ordered structure can significantly increase the hardness of an alloy. For jewelry applications involving Pt and Pd, international hallmarking standards require that the alloys be at least 95% pure by weight. However, Pt- and Pd-rich alloys are often soft when purity is high if the minority atoms are disordered. Because the 8:1 structure maintains a high weight percentage of Pt/Pd, it can satisfy purity standards while increasing performance. Recent calculations and experiments suggest that the 8:1 structure may form in about 20 previously unsuspected Pt/Pd binary systems. Using first-principles calculations and cluster expansion modeling, we have performed a ground state search to find the stable structures in Pd-Nb and Pd-Cu. In collaboration with Candace Lang's group at University of Capetown South Africa, we are working to experimentally validate the predicted ground states.

  17. Relative Order of Auroral Transient Structure During Substorm Activation

    NASA Astrophysics Data System (ADS)

    Kozelov, B. V.; Rypdal, K.

    2007-12-01

    Variability of auroral structures is a manifestation of the magnetosphere-ionosphere plasma dynamics. During the last decade the complexity of magnetosphere-ionosphere plasma has been widely discussed in numerous papers. The most popular approaches are based on turbulence or/and self-organized criticality paradigms. However, there is no clear evidence that the dynamics during the discussed events is really organization, and not disorganization. The problem is that the magnetosphere-ionosphere system is an open non-equilibrium system, therefore classical thermodynamics is not directly applicable. Here we use an approach based on the S-theorem by Yu.L. Klimontovich. This approach allows us to compare the ordering which characterize the current (non- equilibrium) state of the system with experimental data. The considered characteristic is an analogy of entropy which has been extended to non- equilibrium states. Television observations of the auroral structure during substorm activation at the Barentsburg observatory (Svalbard) have been used as a data set. Dependence of the ordering on the spatial scale has been analyzed. We found that the ordering of the aurora increases during the substorm development. The same approach has been applied to data sets generated by cellular automata models. Evolution of the systems in time and dependence on external control parameters are compared and discussed. Acknowledgements. This work was supported by grant No 171076/V30 of the Norwegian Research Council and partly by the Division of Physical Sciences of Russian Academy of Science.

  18. Reduced order modeling of fluid/structure interaction.

    SciTech Connect

    Barone, Matthew Franklin; Kalashnikova, Irina; Segalman, Daniel Joseph; Brake, Matthew Robert

    2009-11-01

    This report describes work performed from October 2007 through September 2009 under the Sandia Laboratory Directed Research and Development project titled 'Reduced Order Modeling of Fluid/Structure Interaction.' This project addresses fundamental aspects of techniques for construction of predictive Reduced Order Models (ROMs). A ROM is defined as a model, derived from a sequence of high-fidelity simulations, that preserves the essential physics and predictive capability of the original simulations but at a much lower computational cost. Techniques are developed for construction of provably stable linear Galerkin projection ROMs for compressible fluid flow, including a method for enforcing boundary conditions that preserves numerical stability. A convergence proof and error estimates are given for this class of ROM, and the method is demonstrated on a series of model problems. A reduced order method, based on the method of quadratic components, for solving the von Karman nonlinear plate equations is developed and tested. This method is applied to the problem of nonlinear limit cycle oscillations encountered when the plate interacts with an adjacent supersonic flow. A stability-preserving method for coupling the linear fluid ROM with the structural dynamics model for the elastic plate is constructed and tested. Methods for constructing efficient ROMs for nonlinear fluid equations are developed and tested on a one-dimensional convection-diffusion-reaction equation. These methods are combined with a symmetrization approach to construct a ROM technique for application to the compressible Navier-Stokes equations.

  19. 94. DETAIL, SAME BEAN AS ABOVE, MARKED 'PATENTED DEC. 1ST ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    94. DETAIL, SAME BEAN AS ABOVE, MARKED 'PATENTED DEC. 1ST 1857' - Smithsonian Institution Building, 1000 Jefferson Drive, between Ninth & Twelfth Streets, Southwest, Washington, District of Columbia, DC

  20. VIEW WEST, 1ST FLOOR, EAST ROOM, HYDRAULIC COTTON PRESS, DETAIL, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    VIEW WEST, 1ST FLOOR, EAST ROOM, HYDRAULIC COTTON PRESS, DETAIL, CONTINENTAL GIN COMPANY HYDRAULIC TANK - Magnolia Plantation, Cotton Gins & Presses, LA Route 119, Natchitoches, Natchitoches Parish, LA

  1. Idaho National Laboratory Quarterly Occurrence Analysis - 1st Quarter FY 2016

    SciTech Connect

    Mitchell, Lisbeth Ann

    2016-03-01

    This report is published quarterly by the Idaho National Laboratory (INL) Quality and Performance Management Organization. The Department of Energy (DOE) Occurrence Reporting and Processing System (ORPS), as prescribed in DOE Order 232.2, “Occurrence Reporting and Processing of Operations Information,” requires a quarterly analysis of events, both reportable and not reportable, for the previous 12 months. This report is the analysis of 74 reportable events (16 from the 1st Qtr FY-16 and 58 from the prior three reporting quarters), as well as 35 other issue reports (including events found to be not reportable and Significant Category A and B conditions) identified at INL during the past 12 months (15 from this quarter and 20 from the prior three quarters).

  2. Chemical probes for higher-order structure in RNA.

    PubMed Central

    Peattie, D A; Gilbert, W

    1980-01-01

    Three chemical reactions can probe the secondary and tertiary interactions of RNA molecules in solution. Dimethyl sulfate monitors the N-7 of guanosines and senses tertiary interactions there, diethyl pyrocarbonate detects stacking of adenosines, and an alternate dimethyl sulfate reaction examines the N-3 of cytidines and thus probes base pairing. The reactions work between 0 degrees C and 90 degrees C and at pH 4.5--8.5 in a variety of buffers. As an example we follow the progressive denaturation of yeast tRNAPhe terminally labeled with 32P as the tertiary and secondary structures sequentially melt out. A single autoradiograph of a terminally labeled molecule locates regions of higher-order structure and identifies the bases involved. Images PMID:6159633

  3. Structure and ordering of oxygen on unreconstructed Ir(100)

    NASA Astrophysics Data System (ADS)

    Ferstl, P.; Schmitt, T.; Schneider, M. A.; Hammer, L.; Michl, A.; Müller, S.

    2016-06-01

    The adsorption of oxygen on the unreconstructed Ir(100) surface is investigated by a combination of experimental and theoretical methods comprising low-energy electron diffraction (LEED), scanning tunneling microscopy (STM), and density-functional theory (DFT). Apart from the well-known (2 ×1 ) -O phase, we find a new (3 ×1 ) -O phase for temperatures below 180 K. Our DFT calculations predict these two phases to be the only fundamental ground states of the system in the coverage range up to 0.5 monolayers. An analysis of the phase transitions as a function of coverage reveals extended coexistence ranges between the clean surface and the 3 ×1 phase, or between the 3 ×1 and 2 ×1 phases, respectively. As a function of temperature, both phases undergo order-disorder transitions at about 650 K for the 2 ×1 phase and 180 K for the 3 ×1 phase, the latter being only partially reversible. The complete ordering behavior can be consistently explained by the energetics of model defect structures calculated by DFT. The crystallographic structure of the phases is determined by full-dynamical LEED intensity analyses, yielding excellent agreement between experimental and calculated data sets (Pendry R -factors: RP≈0.1 ). Oxygen was found to assume bridge sites always inducing significant relaxations within the substrate. The derived structural parameters coincide with the respective predictions from DFT on the picometer scale. It is also shown that remnants and precursor stages of the clean surface's reconstruction can only be detected through the application of real-space methods such as STM. The overarching objective of the present study is to demonstrate how precisely and accurately such an adsorption system can be investigated nowadays by using a concerted experimental and theoretical approach.

  4. First Order Reliability Application and Verification Methods for Semistatic Structures

    NASA Technical Reports Server (NTRS)

    Verderaime, Vincent

    1994-01-01

    Escalating risks of aerostructures stimulated by increasing size, complexity, and cost should no longer be ignored by conventional deterministic safety design methods. The deterministic pass-fail concept is incompatible with probability and risk assessments, its stress audits are shown to be arbitrary and incomplete, and it compromises high strength materials performance. A reliability method is proposed which combines first order reliability principles with deterministic design variables and conventional test technique to surmount current deterministic stress design and audit deficiencies. Accumulative and propagation design uncertainty errors are defined and appropriately implemented into the classical safety index expression. The application is reduced to solving for a factor that satisfies the specified reliability and compensates for uncertainty errors, and then using this factor as, and instead of, the conventional safety factor in stress analyses. The resulting method is consistent with current analytical skills and verification practices, the culture of most designers, and with the pace of semistatic structural designs.

  5. U.S. Army Chemical Corps Historical Studies, Gas Warfare in World War I: The 1st Division in the Meuse-Argonne 1-12 October 1918

    DTIC Science & Technology

    1957-08-01

    October, instead of 30 September-I October 0 On the night of the relief the .Jnemy began shelling at 10s00 porn October 1st and continued until 4s00... Juvin and Landre, out off the Argoure front, and attack in rear of the Brunhild position to effect decisive action on the Group -Argonnej." 8 7 At...attack, fired on the Son’.erance area and north of St Georges et Landres, Juvin , Marcq, and Champigxeulle. 93 Company C, 1st Gas Regiment, was ordered

  6. Complex structure of spatially resolved high-order-harmonic spectra

    NASA Astrophysics Data System (ADS)

    Catoire, F.; Ferré, A.; Hort, O.; Dubrouil, A.; Quintard, L.; Descamps, D.; Petit, S.; Burgy, F.; Mével, E.; Mairesse, Y.; Constant, E.

    2016-12-01

    We investigate the spatiospectral coupling appearing in the spatially resolved high-order-harmonic spectra generated in gases. When ionization is weak, harmonic generation in the far field often exhibits rings surrounding a central spot centered on each odd harmonics in the spatiospectral domain. The nature of these structures is debated. They could stem from interferences between the emission of short and long trajectories, or could be the signature of the temporal and spatial dependence of the longitudinal phase matching of long trajectories (Maker fringes). We conducted spectrally and spatially resolved measurements of the harmonic spectra as a function of pressure, intensity, and ellipticity. In addition, we performed calculations where only a single emission plane is included (i.e., omitting deliberately the longitudinal phase matching), reproducing the features experimentally observed. This study has been completed by the spatiospectral coupling when strong ionization occurs leading to complex patterns which have been compared to calculations using the same model and also show good agreement. We conclude that many spatiospectral structures of the harmonic spectrum can be interpreted in terms of spatial and temporal transverse coherence of the emitting medium without resorting to longitudinal phase matching or quantum phase interference between short and long trajectories.

  7. Structural Uses for Ductile Ordered Alloys. Report of the Committee on Application Potential for Ductile Ordered Alloys

    DTIC Science & Technology

    1984-08-31

    Ordered Alloys: Structural Applications and Physical Metallurgy, Proceedings of the 3rd Bolton Landing Conference, Lake George , N.Y., September 1969...ordering reactions. In Order-Disorder Transformations in Alloys, p. 494, Ed. by H. Warlimont. New York: Springer-Verlag. Williams, A. R., J. Kubler

  8. Allied Forces. 1st Airborne Task Force. Field Order Number 1

    DTIC Science & Technology

    1944-08-05

    any organization of the ground in the TRANS—EN—PROVENCE- LES ARCS—ROQUEBRUNE-- MARCHANDISE —LA VAUGINE area inclusive. £_. Observe for movement of...by telephone, or courier as folio (1) Strength (2) Killed, captured, missing ;.;.nd interned (3) Hospitalized ’ (4.) Returned to duty and...Definitions: (1) Effective strength Is the present for duty strength at the tiiR« thfe report is compiled, (2) Killed, captured, missing and interned

  9. Thermophoresis and Wind Lifting Particles on Mars: 1st Order Approximation

    NASA Astrophysics Data System (ADS)

    Buzan, J. R.

    2009-12-01

    Dust devils on Mars have been attributed to the haze in the Martian atmosphere (Balme and Greeley 2006). Numerical simulations of vortices have limited the number of vortices recorded by Viking that could entrain dust particles due to high threshold wind velocity (Ryan and Lucich 1983). Thermophoresis is a process of a momentum transfer from gas to dust particles through changes in the temperature gradient and has been proposed as a contributor to dust lifting on Mars (Wurm and Krauss 2006, Wurm et al 2008). Using IDL, a solid state greenhouse and photophoretic force laser model, similar to Wurm and Krauss 2006, was created. Data from Wurm et al 2008 and Greeley et al 1980 was applied to the model through a series of balancing force equations. The model quantified a new lower limit of velocities for entraining various particle diameters by a change of 44%. These estimates warrant further investigation into using thermophoresis with Mars wind tunnel experimentation. Threshold wind velocities for entrainment before (squares) and after (diamonds) application of Thermophoretic force on variety of particle sizes. Wind velocities before (stars) and after (triangles) application of Thermophoretic force on variety of particles sizes extrapolated to 1.6 m off the surface on Mars (height of Viking sensors).

  10. Higher order modes in photonic crystal slabs.

    PubMed

    Gansch, Roman; Kalchmair, Stefan; Detz, Hermann; Andrews, Aaron M; Klang, Pavel; Schrenk, Werner; Strasser, Gottfried

    2011-08-15

    We present a detailed investigation of higher order modes in photonic crystal slabs. In such structures the resonances exhibit a blue-shift compared to an ideal two-dimensional photonic crystal, which depends on the order of the slab mode and the polarization. By fabricating a series of photonic crystal slab photo detecting devices, with varying ratios of slab thickness to photonic crystal lattice constant, we are able to distinguish between 0th and 1st order slab modes as well as the polarization from the shift of resonances in the photocurrent spectra. This method complements the photonic band structure mapping technique for characterization of photonic crystal slabs.

  11. Steps, Stages, and Structure: Finding Compensatory Order in Scientific Theories

    ERIC Educational Resources Information Center

    Rutjens, Bastiaan T.; van Harreveld, Frenk; van der Pligt, Joop; Kreemers, Loes M.; Noordewier, Marret K.

    2013-01-01

    Stage theories are prominent and controversial in science. One possible reason for their appeal is that they provide order and predictability. Participants in Experiment 1 rated stage theories as more orderly and predictable (but less credible) than continuum theories. In Experiments 2-5, we showed that order threats increase the appeal of stage…

  12. PROPAGATION AND EVOLUTION OF THE JUNE 1st 2008 CME IN THE INTERPLANETARY MEDIUM

    NASA Astrophysics Data System (ADS)

    Nieves-Chinchilla, T.; Lamb, D. A.; Davila, J. M.; Vinas, A. F.; Moestl, C.; Hidalgo, M. A.; Farrugia, C. J.; Malandraki, O.; Dresing, N.; Gómez-Herrero, R.

    2009-12-01

    In this work we present a study of the coronal mass ejection (CME) of June 1st of 2008 in the interplanetary medium. This event has been extensively studied by others because of its favorable geometry and the possible consequences of its peculiar initiation for space weather forecasting. We show an analysis of the evolution of the CME in the interplanetary medium in order to shed some light on the propagation mechanism of the ICME. We have determined the typical shock associated characteristics of the ICME in order to understand the propagation properties. Using two different non force-free models of the magnetic cloud allows us to incorporate expansion of the cloud. We use in-situ measurements from STEREO B/IMPACT to characterize the ICME. In addition, we use images from STEREO A/SECCHI-HI to analyze the propagation and visual evolution of the associated flux rope in the interplanetary medium. We compare and contrast these observations with the results of the analytical models.

  13. 4. VIEW WEST, WEST SIDE, SHOWING CHANNELS 1ST AND 2ND ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    4. VIEW WEST, WEST SIDE, SHOWING CHANNELS 1ST AND 2ND VERTICAL BRACED DOUBLE ANGLES, DIAGONAL BRACING AND CROSS BRACED RAILING - Thirty-Sixth Street Bridge, Spanning Rabbit River, Hamilton, Allegan County, MI

  14. Introduction to the 1st International Symposium on Phytochemicals in Medicine and Food (ISPMF 2015).

    PubMed

    Zheng, Yafeng; Jassbi, Amir Reza; Xiao, Jianbo

    2016-03-30

    The 1st International Symposium on Phytochemicals in Medicine and Food (ISPMF 2015) was held in Shanghai, China, from June 26th to 29th, 2015. The 1st ISPMF was organized by the Phytochemical Society of Europe (PSE) and the Phytochemical Society of Asia (PSA). More than 270 scientists from 48 countries attended this meeting. The program of ISPMF 2015 consisted of 12 plenary lectures, 20 invited talks, and 55 short oral presentations in 16 sessions, including phytochemistry, phytomedicine, pharmacology, and application of phytochemicals in medicine and food. The 1st ISPMF has obtained support from Critical Reviews in Food Science and Nutrition, Food Chemistry, Phytochemistry Reviews, and Nutrients. As supported by Prof. Thomas F. Hofmann, a special issue on Journal of Agricultural and Food Chemistry (ACS) for the 1st ISPMF was initiated in January 2015.

  15. 45. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    45. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st St. S., Columbus, Ms. Turn span from SE. Sarcone Photography, Columbus, Ms. Sep 1978. - Bridges of the Upper Tombigbee River Valley, Columbus, Lowndes County, MS

  16. 46. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    46. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st St. S., Columbus, Ms. Overall view, from S. Sarcone Photography, Columbus, Ms. Sep 1978. - Bridges of the Upper Tombigbee River Valley, Columbus, Lowndes County, MS

  17. BLOEDNER MONUMENT (32ND INDIANA, 1ST GERMAN MONUMENT), SECTION C, FRONT ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    BLOEDNER MONUMENT (32ND INDIANA, 1ST GERMAN MONUMENT), SECTION C, FRONT ELEVATION DETAIL OF GERMAN TEXT. VIEW TO NORTHEAST. - Cave Hill National Cemetery, 701 Baxter Avenue, Louisville, Jefferson County, KY

  18. 62. Neg. No. F75A, Jun 18, 1930, INTERIORWAREHOUSE, 1ST FLOOR, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    62. Neg. No. F-75A, Jun 18, 1930, INTERIOR-WAREHOUSE, 1ST FLOOR, STORAGE OF AUTOMOBILE COMPONENTS - Ford Motor Company Long Beach Assembly Plant, Assembly Building, 700 Henry Ford Avenue, Long Beach, Los Angeles County, CA

  19. FDA Approves 1st Direct-to-Consumer Genetic Risk Tests

    MedlinePlus

    ... 164507.html FDA Approves 1st Direct-to-Consumer Genetic Risk Tests They screen for gene variants linked ... on Thursday approved the first direct-to-consumer genetic health risk tests. Known as the 23andMe Personal ...

  20. PREFACE: 1st International Conference on Rheology and Modeling of Materials

    NASA Astrophysics Data System (ADS)

    Gömze, László A.

    2015-04-01

    Understanding the rheological properties of materials and their rheological behaviors during their manufacturing processes and in their applications in many cases can help to increase the efficiency and competitiveness not only of the finished goods and products but the organizations and societies also. The more scientific supported and prepared organizations develop more competitive products with better thermal, mechanical, physical, chemical and biological properties and the leading companies apply more competitive knowledge, materials, equipment and technology processes. The idea to organize in Hungary the 1st International Conference on Rheology and Modeling of Materials we have received from prospective scientists, physicists, chemists, mathematicians and engineers from Asia, Europe, North and South America including India, Korea, Russia, Turkey, Estonia, France, Italy, United Kingdom, Chile, Mexico and USA. The goals of ic-rmm1 the 1st International Conference on Rheology and Modeling of Materials are the following: • Promote new methods and results of scientific research in the fields of modeling and measurements of rheological properties and behavior of materials under processing and applications. • Change information between the theoretical and applied sciences as well as technical and technological implantations. • Promote the communication between the scientists of different disciplines, nations, countries and continents. The international conference ic-rmm1 provides a platform among the leading international scientists, researchers, PhD students and engineers for discussing recent achievements in measurement, modeling and application of rheology in materials technology and materials science of liquids, melts, solids, crystals and amorphous structures. Among the major fields of interest are the influences of material structures, mechanical stresses temperature and deformation speeds on rheological and physical properties, phase transformation of

  1. The relation between 1st grade grey matter volume and 2nd grade math competence.

    PubMed

    Price, Gavin R; Wilkey, Eric D; Yeo, Darren J; Cutting, Laurie E

    2016-01-01

    Mathematical and numerical competence is a critical foundation for individual success in modern society yet the neurobiological sources of individual differences in math competence are poorly understood. Neuroimaging research over the last decade suggests that neural mechanisms in the parietal lobe, particularly the intraparietal sulcus (IPS) are structurally aberrant in individuals with mathematical learning disabilities. However, whether those same brain regions underlie individual differences in math performance across the full range of math abilities is unknown. Furthermore, previous studies have been exclusively cross-sectional, making it unclear whether variations in the structure of the IPS are caused by or consequences of the development of math skills. The present study investigates the relation between grey matter volume across the whole brain and math competence longitudinally in a representative sample of 50 elementary school children. Results show that grey matter volume in the left IPS at the end of 1st grade relates to math competence a year later at the end of 2nd grade. Grey matter volume in this region did not change over that year, and was still correlated with math competence at the end of 2nd grade. These findings support the hypothesis that the IPS and its associated functions represent a critical foundation for the acquisition of mathematical competence.

  2. The Molecular Structure of the Liquid Ordered Phase

    NASA Astrophysics Data System (ADS)

    Lyman, Edward

    2014-03-01

    Molecular dynamics simulations reveal substructures within the liquid-ordered phase of lipid bilayers. These substructures, identified in a 10 μsec all-atom trajectory of liquid-ordered/liquid-disordered coexistence (Lo/Ld) , are composed of saturated hydrocarbon chains packed with local hexagonal order, and separated by interstitial regions enriched in cholesterol and unsaturated chains. Lipid hydrocarbon chain order parameters calculated from the Lo phase are in excellent agreement with 2H NMR measurements; the local hexagonal packing is also consistent with 1H-MAS NMR spectra of the Lo phase, NMR diffusion experiments, and small angle X-ray- and neutron scattering. The balance of cholesterol-rich to local hexagonal order is proposed to control the partitioning of membrane components into the Lo regions. The latter have been frequently associated with formation of so-called rafts, platforms in the plasma membranes of cells that facilitate interaction between components of signaling pathways.

  3. INL FY2014 1st Quarterly Performance Analysis

    SciTech Connect

    Kinghorn, Loran

    2014-07-01

    This report is published quarterly by the Idaho National Laboratory (INL) Performance Assurance Organization. The Department of Energy Occurrence Reporting and Processing System (ORPS), as prescribed in DOE Order 232.2 “Occurrence Reporting and Processing of Operations Information,” requires a quarterly analysis of events, both reportable and not reportable, for the previous 12 months. This report is the analysis of 76 occurrence reports and over 16 other deficiency reports (including not reportable events) identified at the INL during the period of October 2013 through December 2013. Battelle Energy Alliance (BEA) operates the INL under contract DE AC 07 051D14517

  4. PREFACE: 1st European Conference on Gas Micro Flows (GasMems 2012)

    NASA Astrophysics Data System (ADS)

    Frijns, Arjan; Valougeorgis, Dimitris; Colin, Stéphane; Baldas, Lucien

    2012-05-01

    The aim of the 1st European Conference on Gas Micro Flows is to advance research in Europe and worldwide in the field of gas micro flows as well as to improve global fundamental knowledge and to enable technological applications. Gas flows in microsystems are of great importance and touch almost every industrial field (e.g. fluidic microactuators for active control of aerodynamic flows, vacuum generators for extracting biological samples, mass flow and temperature micro-sensors, pressure gauges, micro heat-exchangers for the cooling of electronic components or for chemical applications, and micro gas analyzers or separators). The main characteristic of gas microflows is their rarefaction, which for device design often requires modelling and simulation both by continuous and molecular approaches. In such flows various non-equilibrium transport phenomena appear, while the role played by the interaction between the gas and the solid device surfaces becomes essential. The proposed models of boundary conditions often need an empirical adjustment strongly dependent on the micro manufacturing technique. The 1st European Conference on Gas Micro Flows is organized under the umbrella of the recently established GASMEMS network (www.gasmems.eu/) consisting of 13 participants and six associate members. The main objectives of the network are to structure research and train researchers in the fields of micro gas dynamics, measurement techniques for gaseous flows in micro experimental setups, microstructure design and micro manufacturing with applications in lab and industry. The conference takes place on June 6-8 2012, at the Skiathos Palace Hotel, on the beautiful island of Skiathos, Greece. The conference has received funding from the European Community's Seventh Framework Programme FP7/2007-2013 under grant agreement ITN GASMEMS no. 215504. It owes its success to many people. We would like to acknowledge the support of all members of the Scientific Committee and of all

  5. Influence to 16-QAM of CATV using the third-order pumped distributed Raman amplifier

    NASA Astrophysics Data System (ADS)

    Wang, Qin; Gao, Ying; Huang, Shaoling; Cao, Jing

    2013-12-01

    In order to study the practical applicabality of the 3rd-order distributed Raman amplifier (DRA) in Cable Antenna Television (CATV) system, the structure of the 3rd-order DRA is put forward firstly, and the effect of higher order simulated Raman scattering is investigated. Moreover a simulated 3rdorder DRA-CATV system over 120 km fiber is set up to study its performance of 16-QAM as the main digital signal. In order to compare the performances, a simulated 1st-order DRA-CATV system is also set up. Simulation results indicate that the bit error rate (BER) of 16-QAM in the 3rd-order DRACATV system is lower than that in the 1st-order DRA-CATV system. The theory results are beneficial to apply a higher-order Raman pumping (HOP) DRA for the future experiment.

  6. Higher order structures of the caseins: a paradox?

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This book chapter deals with the molecular architecture of the major milk proteins, the caseins. Earlier theories of casein structure classified them as random coils; i.e., flexible without definite structural elements. Recent advances in the field of protein chemistry have significantly enhanced ...

  7. National Institute for Rocket Propulsion Systems 1st Annual Workshop

    NASA Technical Reports Server (NTRS)

    Doreswamy, Rajiv; Fry, Emma; Swindell, Tina

    2012-01-01

    The National Institute for Rocket Propulsion Systems (NIRPS) is a Government -wide initiative that seeks to ensure the resiliency of the Nation fs rocket propulsion community in order for the enterprise to remain vibrant and capable of providing reliable and affordable propulsion systems for the nation fs defense, civil and commercial needs. Recognizing that rocket propulsion is a multi-use technology that ensures the nation fs leadership in aerospace, the Government has a vested interest in maintaining this strategic capability through coordinated and synchronized acquisition programs and continual investments in research and development. NIRPS is a resource for collaboration and integration between all sectors of the U.S. propulsion enterprise, supporting policy development options, identifying technology requirements, and offering solutions that maximize national resources while ensuring that capability exists to meet future demand. NIRPS functions as a multi ]agency organization that our nation fs decision makers can look to for comprehensive information regarding all issues concerning the propulsion enterprise.

  8. Wind-US Results for the AIAA 1st Propulsion Aerodynamics Workshop

    NASA Technical Reports Server (NTRS)

    Yoder, Dennis; Dippold, Vance, III; Georgiadis, Nicholas

    2012-01-01

    This presentation contains Wind-US results presented at the 1st Propulsion Aerodynamics Workshop. The The workshop was organized by the American Institute of Aeronautics and Astronautics, Air Breathing Propulsion Propulsion Systems Integration Technical Committee with the purpose of assessing the accuracy of computational computational fluid dynamics for air breathing propulsion applications. Attendees included representatives from representatives from government, industry, academia, and commercial software companies. Participants were were encouraged to explore and discuss all aspects of the simulation process including the effects of mesh type and mesh type and refinement, solver numerical schemes, and turbulence modeling. The first set of challenge cases involved computing the thrust and discharge coefficients for a series of convergent convergent nozzles for a range of nozzle pressure ratios between 1.4 and 7.0. These configurations included a included a reference axisymmetric nozzle as well as 15deg , 25deg , and 40deg conical nozzles. Participants were also asked also asked to examine the plume shock structure for two cases where the 25deg conical nozzle was bifurcated by a bifurcated by a solid plate. The final test case was a serpentine inlet diffuser with an outlet to inlet area ratio of 1.52 ratio of 1.52 and an offset of 1.34 times the inlet diameter. Boundary layer profiles, wall static pressure, and total and total pressure at downstream rake locations were examined.

  9. When should orthostatic blood pressure changes be evaluated in elderly: 1st, 3rd or 5th minute?

    PubMed

    Soysal, Pinar; Aydin, Ali Ekrem; Koc Okudur, Saadet; Isik, Ahmet Turan

    2016-01-01

    Detection of orthostatic hypotension (OH) is very important in geriatric practice, since OH is associated with mortality, ischemic stroke, falls, cognitive failure and depression. It was aimed to determine the most appropriate time for measuring blood pressure in transition from supine to upright position in order to diagnose OH in elderly. Comprehensive geriatric assessment (CGA) including Head up Tilt Table (HUT) test was performed in 407 geriatric patients. Orthostatic changes were assessed separately for the 1st, 3rd and 5th minutes (HUT1, HUT3 and HUT5, respectively) taking the data in supine position as the basis. The mean age, recurrent falls, presence of dementia and Parkinson's disease, number of drugs, alpha-blocker and anti-dementia drug use, and fasting blood glucose levels were significantly higher in the patients with versus without OH; whereas, albumin and 25-hydroxy vitamin D levels were significantly lower (p<0.05). However, different from HUT3 and HUT5, Charlson Comorbidity Index and the prevalence of diabetes mellitus were higher, the use of antidiabetics, antipsychotics, benzodiazepine, opioid and levodopa were more common (p<0.05). Statistical significance of the number of drugs and fasting blood glucose level was prominent in HUT1 as compared to HUT3 (p<0.01, p<0.05). Comparison of the patients that had OH only in HUT1, HUT3or HUT5 revealed no difference in terms of CGA parameters. These results suggests that orthostatic blood pressure changes determined at the 1st minute might be more important for geriatric practice. Moreover, 1st minute measurement might be more convenient in the elderly as it requires shorter time in practice.

  10. Ordering the amorphous - Structures in PBD LED materials

    NASA Astrophysics Data System (ADS)

    Emmerling, Franziska; Orgzall, Ingo; Dietzel, Birgit; Schulz, Burkhard; Larrucea, Julen

    2012-12-01

    The class of 2,5 disubstituted-1,3,4-oxadiazoles containing a biphenyl unit on one side is intensively used as electron transport materials to enhance the performance of organic light emitting diodes (OLEDs). In contrast to the ongoing research on these materials insights in their structure-property relationships are still incomplete. To overcome the structural tentativeness and ambiguities the crystal structures of 2-(4-biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole, that of the related compound 2-(4-biphenylyl)-5-phenyl-1,3,4-oxadiazole and of 2-(4-biphenylyl)-5-(2,6-dimethylphenyl)-1,3,4-oxadiazole are determined. A comparison with the results of GAUSSIAN03 calculations and similar compounds in the Cambridge Structural Database leads to a profound characterization.

  11. Performance indicators for 1st quarter CY 1993

    SciTech Connect

    Not Available

    1993-08-01

    The Department of Energy (DOE) has established a Department-wide Performance Indicator (PI) Program for trending and analysis of operational data as directed by DOE Order 5480.26. The PI Program was established to provide a means for monitoring the environment, safety, and health (ES&H) performance of the DOE at the Secretary and other management levels. This is the ninth in a series of quarterly reports generated for the Department of Energy Field Office, Idaho (DOE-ID) by EG&G Idaho, Inc. to meet the requirements of the PI Program as directed by the DOE Standard. DOE-STD-1048-92 identifies four general areas of PIs. They are: Personnel Safety, Operational Incidents, Environment and Management. These four areas have been subdivided into 26 performance indicators. Approximately 115 performance indicator control and distribution charts comprise the body of this report A brief summary of PIs contained in each of these general areas is provided in the following pages. The four EG&G facilities whose performance is charted herein are as follows: (1) The Advanced Test Reactor (ATR); (2) The Radioactive Waste Management Complex (RWMC); (3) The Waste Experimental Reduction Facility (WERF) and (4) The Test Reactor Area (TRA) Hot Cells.

  12. A Higher Order Analysis of the Factor Structure of the Myers-Briggs Type Indicator.

    ERIC Educational Resources Information Center

    Johnson, William L.; Mauzey, Edward; Johnson, Annabel M.; Murphy, Stanley D.; Zimmerman, Kurt J.

    2001-01-01

    Examines the higher order structure of Form G of the Myers Briggs Type Indicator. A third order component analysis of a sample (N=926) found two higher order components. This higher order analysis contributes to the research literature pertaining to the generalized structure of the personality measure. (Contains 44 references and 1 table.) (GCP)

  13. PREFACE: 1st Franco-Algerian Workshop on Neutrino Physics

    NASA Astrophysics Data System (ADS)

    Mebarki, N.; Mimouni, J.; Vanucci, F.; Aissaoui, H.

    2015-04-01

    The first Franco-Algerian workshop on neutrino physics was held on 22-23 October 2013 at the University of Mentouri, Constantine, Algeria. It was jointly organized by the Laboratory of Mathematical and Subatomic Physics (LPMS) and the Direction of Scientific Research (DGRSTD) for the Algerian side, and for the French part by the IN2P3, CNRS and CEA IRFU. It is one of a series of international scientific meetings organized every two years by the LPMS at Constantine on high energy physics (theoretical, nuclear physics, classical and quantum cosmology, astrophysics, mathematical physics and quantum computing etc...) to maintain a high quality in scientific research and education at Algerian universities. This specific meeting brought together experts in particle physics, astrophysics and cosmology from France and Algeria. It touched upon several theoretical, phenomenological as well as experimental aspects of the neutrinos. The workshop participants were mostly young researchers from many universities and research institutes in Algeria. The physics of neutrinos is a very active field in particle physics, hence the importance for the High Energy community in Algeria to gain expertise in this ''strategic'' area at the intersection of various topics in theoretical physics and high energy astrophysics (SM physics, CP violation, in general, SNe explosions, baryogenesis...). The neutrino proposed by Pauli back in 1930 as a ''desperate remedy'' to save the law of energy conservation in beta decay had a bright early history. Discovered in 1956 in the Cowan-Reines experiment despite all odds, this elusive particle which enabled us to understand the chiral nature of the weak interactions which later lead to the electro-weak unification finally appears to hold a key role in understanding subatomic physics as well as the structure and structuration of the Universe. It is also, after the discovery of the Higgs particle at the LHC in 2012, the only grey area left today in the

  14. [Yersinia enterocolitica: 1st isolation from meat products in Argentina].

    PubMed

    de Guzmán, A M; de Pederiva, N B; Torres, C N; Eiguer, T; Giménez, D F

    1984-01-01

    A search for Y. enterocolitica in fresh foods of animal origin has been carried out. Isolations were obtained from "chorizos" (thick fresh sausages), "salchichas" (slender fresh sausages), bovine and pig's tongues and caecum (Tables 1, 2). Enrichments were performed in saline phosphate buffer 0.067 M, pH 7.6 and nutrient broth with 0.5% glucose. Caecum and tongue samples were postenriched in 0.5% KOH. Subcultures were done in Salmonella-Shigella agar, MacConkey agar and eosin-methylene blue agar. Isolates were identified through biochemical, serological and lysotyping methods. The following biotypes (B), serotypes (O) and lysotypes (Lis) were isolated: from "chorizos", B2, 0:9, Lis X3 and B1, 0:7,8, Lis Xo. From "salchichas", B1, 0:5, Lis Xz. From bovine tongues, B1, 0:5, Lis Xz and B2, 0:9, Lis X3. From pig tongues, B1, 0:6, Lis Xz. From pig caecum, B1, 0:6, Lis Xz and B1, 0:5, Lis Xz. Serotype B2, 0:9, Lis X3 isolated from "chorizos" and bovine tongues has been only exceptionally found outside of human beings. Serotype B1, 0:6, Liz Xz was isolated from the tongue and caecum of one pig. From the caecum of another pig two serotypes, B1, 0:5, Liz Xz and B1, 0:6, Liz Xz, were isolated. In order to determine the importance of Y. entercolitica as etiologic agent of yersiniosis in Argentina, further studies on the frequency and distribution of this agent are recommended.

  15. 1st meeting on topical drug delivery to the nail.

    PubMed

    Murdan, Sudaxshina

    2007-07-01

    The first ever symposium dedicated solely to drug delivery to the nail following topical application was held on the 2nd April 2007, in London, UK, organised by Dr Clive Roper (Charles River Laboratories, Scotland) and Dr Sudaxshina Murdan (School of Pharmacy, University of London, UK), under the auspices of Skin Forum. The 1-day meeting was attended by approximately 35 delegates from industry, academia and hospitals, and provided a much-needed forum for the presentation and discussion of research and problems in this emerging field. Topical drug delivery is especially suitable for onychomycosis (fungal infections of the nail plate and/or nail bed) and nail psoriasis, which affect 2 - 13 and 1 - 3% of the general population, respectively, and make up the bulk of nail disorders. Topical therapy would avoid the adverse events and drug interactions of systemic antifungal agents and the pain of injection when antipsoriatic agents are injected into affected nail folds. However, successful topical therapy is extremely challenging due to the very low permeability of the nail plate. Five speakers spoke about various aspects of topical drug delivery to the nail, including review of the nail plate structure, function, diseases, their existing therapies (systemic and topical), limitations and global sales. The need for effective topical drug delivery to the nail to overcome the problems associated with present treatment, and the fact that there are few topical formulations available for the treatment of nail fungal infections and psoriasis, and the even fewer effective formulations, was highlighted.

  16. Crystal structures and second-order NLO properties of borogermanates

    SciTech Connect

    Zhang, Jian-Han; Kong, Fang; Xu, Xiang; Mao, Jiang-Gao

    2012-11-15

    Borogermanates are a class of very important compounds in materials chemistry. In this paper, the syntheses, structures, and properties of metal borogermanates are reviewed. Organically templated borogermanates with zeolite-like open-frameworks show potential applications as microporous materials. Many compounds in alkali or alkaline-earth borogermanate systems are structurally acentric or polar, some of which exhibit excellent Second Harmonic Generation (SHG) coefficients, wide transparency regions, and high optical-damage thresholds as well as excellent thermal stability. Most of the lanthanide borogermanates are structurally centrosymmetric and not SHG active; however, they are able to emit strong luminescence in visible or near-IR region. In the B-rich compounds, BO{sub 3} and BO{sub 4} groups can be polymerized into a variety of discrete polynuclear anionic cluster units or extended architectures via B-O-B bridges; whereas in the Ge-rich compounds, GeO{sub 4} and GeO{sub 6} polyhedra can also be polymerized. The combinations of borate and germinate afforded rich structural and topological types. - Graphical abstract: Borogermanates are a class of very important compounds in materials chemistry. Both BO{sub x} (x=3, 4) and GeO{sub y} (y=4, 6) polyhedra can be polymerized into a variety of discrete polynuclear anionic cluster units or extended architectures. The combinations of borate and germanate groups in the same oxide framework not only give rise to a rich structural chemistry, but also afford many polar compounds with good SHG properties. Highlights: Black-Right-Pointing-Pointer Borogermanates are a class of new materials. Black-Right-Pointing-Pointer They feature to be the combination of B and Ge atoms into the same oxide framework. Black-Right-Pointing-Pointer They can form a large number of novel 2D and 3D framework structures. Black-Right-Pointing-Pointer Some of them are acentric or polar with moderate strong SHG responses.

  17. Reduced-Order Aerothermoelastic Analysis of Hypersonic Vehicle Structures

    DTIC Science & Technology

    2012-01-01

    the same without the count- less friends I have made. I am grateful for the friendships and support of Torstens Skujins, Scott Stapleton, Jorge Pernillo...Temperature distributions at selected time instants from thermal FEA. . . 95 4.3 Temperature dependence of Young’s modulus for Titanium used for beam...developed aerothermodynamic ROMs required on the order of hundredths of a second to compute the surface heat flux distribution and generally had less than

  18. Fabrication and structural characterization of highly ordered titania nanotube arrays

    NASA Astrophysics Data System (ADS)

    Shi, Hongtao; Ordonez, Rosita

    Titanium (Ti) dioxide nanotubes have drawn much attention in the past decade due to the fact that titania is an extremely versatile material with a variety of technological applications. Anodizing Ti in different electrolytes has proved to be quite successful so far in creating the nanotubes, however, their degree of order is still not nearly as good as nanoporous anodic alumina. In this work, we first deposit a thin layer of aluminum (Al) onto electropolished Ti substrates, using thermal evaporation. Such an Al layer is then anodized in 0.3 M oxalic acid, forming an ordered nanoporous alumina mask on top of Ti. Afterwards, the anodization of Ti is accomplished at 20 V in solutions containing 1 M NaH2PO4 and 0.5% HF or H2SO4, which results in the creation of ordered titania nanotube arrays. The inner pore diameter of the nanotubes can be tuned from ~50 nm to ~75 nm, depending on the anodization voltage applied to Al or Ti. X-ray diffractometry shows the as-grown titania nanotubes are amorphous. Samples annealed at different temperatures in ambient atmosphere will be also reported.

  19. Structural ordering and phase behavior of charged microgels.

    PubMed

    Mohanty, P S; Richtering, W

    2008-11-27

    Recent theoretical phase diagrams for loosely cross-linked ionic microgels with a low monomer volume fraction (Gottwald; et al. Phys. Rev. Lett. 2004, 92 , 068301 ) have predicted a re-entrant order-disorder transition (i.e., fluid-FCC-BCC-fluid) as a function of concentration and so far there has been no experimental verifications of these theoretical predictions. Here, we present experimental results on phase behavior of loosely cross-linked charged poly(N-isopropylacrylamide co acrylic acid) (PNIPAm-co-AAc) microgesls with a low monomer volume fraction (approximately 0.003) for a wide range of concentrations (0.02-0.6 wt %) using static and dynamic light scattering methods. These microgel dispersions exhibit a short-range liquid order at low concentration (<0.03 wt %), a FCC crystalline order at intermediate concentrations (0.03- 0.3 wt %). In addition, we suggested a possible coexistence of BCC and FCC phases at higher concentration crystalline suspension (approximately 0.34 wt %). These results clearly demonstrate the experimental verification of above theoretical prediction below the overlap concentration and also reveal that the interaction potential between the microgel particles is of screened Coulomb repulsive type within these concentration ranges. At further higher concentration (approximately 0.57 wt %), we once again observed a disordered state and this disordered state from dynamic light scattering was confirmed to be a glass. These initial results are discussed in the light of previously reported results on the phase behavior of ionic microgel colloidal dispersions.

  20. Higher order mode damping for a detuned structure

    SciTech Connect

    Kroll, N.; Thompson, K.; Bane, K.; Ko, K.; Miller, R.; Ruth, R.; Gluckstern, R.

    1994-08-01

    We report in this paper the current status of our investigation of the possibility of suppressing the wake reappearance by providing relatively weak damping via the vacuum manifolds. The four vacuum manifolds running the length of the structure also function as multimode waveguides which serve to drain power from the HOM`s through the large coupling slots located in each cell, except, as discussed later, for a few at each end of the manifolds.

  1. Aperiodic structures and notions of order and disorder

    NASA Astrophysics Data System (ADS)

    Ben-Abraham, S. I.; Quandt, A.

    2011-07-01

    The fabrication of artificial heterostructures is mainly based on substitution systems. We present simple ways to construct double-sided versions of the Fibonacci, Prouhet-Thue-Morse, paperfolding, period doubling and Golay-Rudin-Shapiro sequences. We also construct a generic instance of the two-dimensional Prouhet-Thue-Morse structure and explore its symbolic complexity. The complexity turns out to be polynomial and hence, the entropy goes to zero.

  2. "European Resuscitation Council 2015 burn 1st Aid recommendations-concerns and issues for first responders".

    PubMed

    Goodwin, Nicholas S

    2016-08-01

    As the lead author of a recently published systematic review on hydrogel burn dressings in pre-hospital, I was alarmed to read the claim by the authors to the effect no one method of burn wound cooling was superior to any other; "There is no evidence to recommend a specific temperature or method of cooling". The reputation and prominence of the ERC within the circle of resuscitation councils now delving into 1st Aid recommendations leads to the conclusion that misguided recommendations may cause confusion amongst first responders, may falsely misdirect 1st Aid providers to unsupported practices or alternatively create a window of opportunity for marketers or sellers of alternative burn 1st Aid technologies to make unsupported claims in respect of comparable efficacy of their own product versus "traditional" methods.

  3. Switchable photooxygenation catalysts that sense higher-order amyloid structures

    NASA Astrophysics Data System (ADS)

    Taniguchi, Atsuhiko; Shimizu, Yusuke; Oisaki, Kounosuke; Sohma, Youhei; Kanai, Motomu

    2016-10-01

    Proteins can misfold into amyloid structures that are associated with diseases; however, the same proteins often have important biological roles. To degrade selectively the amyloid form without affecting the fraction of functional protein is, therefore, an attractive goal. Here we report target-state-dependent photooxygenation catalysts that are active only when bound to the cross-β-sheet structure that is characteristic of pathogenic aggregated amyloid proteins. We show these catalysts can selectively oxygenate the amyloid form of amyloid β-protein (Aβ) 1-42 in the presence of non-amyloid off-target substrates. Furthermore, photooxygenation with a catalyst that bears an Aβ-binding peptide attenuated the Aβ pathogenicity in the presence of cells. We also show that selective photooxygenation is generally applicable to other amyloidogenic proteins (amylin, insulin, β2-microglobulin, transthyretin and α-synuclein) and does not affect the physiologically functional non-aggregate states of these proteins. This is the first report of an artificial catalyst that can be selectively and reversibly turned on and off depending on the structure and aggregation state of the substrate protein.

  4. Computational Simulations of Convergent Nozzles for the AIAA 1st Propulsion Aerodynamics Workshop

    NASA Technical Reports Server (NTRS)

    Dippold, Vance F., III

    2014-01-01

    Computational Fluid Dynamics (CFD) simulations were completed for a series of convergent nozzles in participation of the American Institute of Aeronautics and Astronautics (AIAA) 1st Propulsion Aerodynamics Workshop. The simulations were performed using the Wind-US flow solver. Discharge and thrust coefficients were computed for four axisymmetric nozzles with nozzle pressure ratios (NPR) ranging from 1.4 to 7.0. The computed discharge coefficients showed excellent agreement with available experimental data; the computed thrust coefficients captured trends observed in the experimental data, but over-predicted the thrust coefficient by 0.25 to 1.0 percent. Sonic lines were computed for cases with NPR >= 2.0 and agreed well with experimental data for NPR >= 2.5. Simulations were also performed for a 25 deg. conic nozzle bifurcated by a flat plate at NPR = 4.0. The jet plume shock structure was compared with and without the splitter plate to the experimental data. The Wind-US simulations predicted the shock structure well, though lack of grid resolution in the plume reduced the sharpness of the shock waves. Unsteady Reynolds-Averaged Navier-Stokes (URANS) simulations and Detached Eddy Simulations (DES) were performed at NPR = 1.6 for the 25 deg conic nozzle with splitter plate. The simulations predicted vortex shedding from the trailing edge of the splitter plate. However, the vortices of URANS and DES solutions appeared to dissipate earlier than observed experimentally. It is believed that a lack of grid resolution in the region of the vortex shedding may have caused the vortices to break down too soon

  5. Swarm intelligence algorithm for interconnect model order reduction with sub-block structure preserving

    NASA Astrophysics Data System (ADS)

    Wang, Xinsheng; Wang, Chenxu; Yu, Mingyan

    2016-07-01

    In this paper, we propose a generalised sub-block structure preservation interconnect model order reduction (MOR) technique based on the swarm intelligence method, that is, particle swarm optimisation (PSO). The swarm intelligence-based structure preservation MOR can be used for a standard model as a criterion for different structure preservation interconnect MOR methods. In the proposed technique, the PSO method is used for predicting the unknown elements of structure-preserving reduced-order modelling of interconnect circuits. The prediction is based on minimising the difference of transform function between the original full-order and desired reduced-order systems maintaining the full-order structure in the reduced-order model. The proposed swarm-intelligence-based structure-preserving MOR method is compared with published work on structure preservation MOR SPRIM techniques. Simulation and synthesis results verify the accuracy and validity of the new structure-preserving MOR technique.

  6. Structural properties and relative stability of (meta)stable ordered, partially ordered, and disordered Al-Li alloy phases

    NASA Astrophysics Data System (ADS)

    Alam, Aftab; Johnson, D. D.

    2012-04-01

    We resolve issues that have plagued reliable prediction of relative phase stability for solid solutions and compounds. Due to its commercially important phase diagram, we showcase the Al-Li system because historically density-functional theory (DFT) results show large scatter and limited success in predicting the structural properties and stability of solid solutions relative to ordered compounds. Using recent advances in an optimal basis-set representation of the topology of electronic charge density (and, hence, atomic size), we present DFT results that agree reasonably well with all known experimental data for the structural properties and formation energies of ordered, off-stoichiometric partially ordered, and disordered alloys, opening the way for reliable study in complex alloys.

  7. Ordered and random structures in pulsatile flow through constricted tubes

    NASA Astrophysics Data System (ADS)

    Lieber, B. B.

    The poststenotic flow field in a rigid tube was investigated under pulsatile conditions. The waveform employed in the present experiment was sinusoidal and three contoured constrictions with 50, 75, and 90% area reduction were investigated. The fluid dynamic similarity parameters were chosen to represent conditions found in large arteries of humans and of experimental animals, using a Reynolds number range of 200 to 1000 and a frequency parameter value of 5.3. The analysis techniques of autoregressive modeling, correlation methods, and phase-shift averaging were employed in order to extract the maximum information about flow behavior. Analysis focuses on identification and representation of coherent flow disturbances, and examination of the influence of core flow behavior on the cyclic wall shear stress.

  8. Bacteria repelling on highly-ordered alumina-nanopore structures

    NASA Astrophysics Data System (ADS)

    Kim, Sunghan; Zhou, Yan; Cirillo, Jeffrey D.; Polycarpou, Andreas A.; Liang, Hong

    2015-04-01

    Bacteria introduce diseases and infections to humans by their adherence to biomaterials, such as implants and surgical tools. Cell desorption is an effective step to reduce such damage. Here, we report mechanisms of bacteria desorption. An alumina nanopore structure (ANS) with pore size of 35 nm, 55 nm, 70 nm, and 80 nm was used as substrate to grow Escherichia coli (E. coli) cells. A bacteria repelling experimental method was developed to quantitatively evaluate the area percentage of adherent bacterial cells that represent the nature of cell adhesion as well as desorption. Results showed that there were two crucial parameters: contact angle and contact area that affect the adhesion/desorption. The cells were found to be more easily repelled when the contact angle increased. The area percentage of adherent bacterial cells decreased with the decrease in the contact area of a cell on ANS. This means that cell accessibility on ANS depends on the contact area. This research reveals the effectiveness of the nanopored structures in repelling cells.

  9. Continuation of tailored composite structures of ordered staple thermoplastic material

    NASA Technical Reports Server (NTRS)

    Santare, Michael H.; Pipes, R. Byron

    1992-01-01

    The search for the cost effective composite structure has motivated the investigation of several approaches to develop composite structure from innovative material forms. Among the promising approaches is the conversion of a planar sheet to components of complex curvature through sheet forming or stretch forming. In both cases, the potential for material stretch in the fiber direction appears to offer a clear advantage in formability over continuous fiber systems. A framework was established which allows the simulation of the anisotropic mechanisms of deformation of long discontinuous fiber laminates wherein the matrix phase is a viscous fluid. Predictions for the effective viscosities of a hyper-anisotropic medium consisting of collimated, discontinuous fibers suspended in viscous matrix were extended to capture the characteristics of typical polymers including non-Newtonian behavior and temperature dependence. In addition, the influence of fiber misorientation was also modeled by compliance averaging to determine ensemble properties for a given orientation distribution. A design tool is presented for predicting the effect of material heterogeneity on the performance of curved composite beams such as those used in aircraft fuselage structures. Material heterogeneity can be induced during manufacturing processes such as sheet forming and stretch forming of thermoplastic composites. This heterogeneity can be introduced in the form of fiber realignment and spreading during the manufacturing process causing radial and tangential gradients in material properties. Two analysis procedures are used to solve the beam problems. The first method uses separate two-dimensional elasticity solutions for the stresses in the flange and web sections of the beam. The separate solutions are coupled by requiring that forces and displacements match section boundaries. The second method uses an approximate Rayleigh-Ritz technique to find the solutions for more complex beams. Analyses

  10. The Second-Order Factor Structure of the 16 PF: A Four Factor Solution.

    ERIC Educational Resources Information Center

    Marth, Joseph R.; Newman, Isadore

    A review of the research into the second-order factor structure of the 16 Personality Factor Questionnaire (16 PF) indicates disagreement about the number and meaning of the second-order factors. However, repeated analyses of the second-order factor structure have consistently found fewer than the eight factors suggested by Catell (1973) and the…

  11. Structure and Sensor Properties of Thin Ordered Solid Films

    PubMed Central

    Sołoducho, Jadwiga; Cabaj, Joanna; Świst, Agnieszka

    2009-01-01

    Miniaturized gas sensors and biosensors based on nanostructured sensing elements have attracted considerable interest because these nanostructured materials can be used to significantly improve sensor sensitivity and the response time. We report here on a generic, reversible sensing platform based on hybrid nanofilms. Thin ordered Langmuir-Blodgett (LB) films built of fluorene derivatives were used as effective gas sensors for both oxidative and reductive analytes. A novel immobilization method based on thin LB films as a matrix has been developed for construction of sensing protein layers. Biomolecules can often be incorporated into and immobilized on Langmuir-Blodgett films using adsorption methods or by covalent immobilization of proteins. The sensor sensitisation was achieved by an amphiphilic N-alkyl-bis(thiophene)arylenes admixed into the film. The interlaced derivative was expected to facilitate the electron transfer, thereby enhancing the sensor sensitivity. The results suggest that this may be very promising approach for exploring the interactions between proteins and high throughput detection of phenol derivatives in wastewater. PMID:22408477

  12. Gene structure and evolution of transthyretin in the order Chiroptera.

    PubMed

    Khwanmunee, Jiraporn; Leelawatwattana, Ladda; Prapunpoj, Porntip

    2016-02-01

    Bats are mammals in the order Chiroptera. Although many extensive morphologic and molecular genetics analyses have been attempted, phylogenetic relationships of bats has not been completely resolved. The paraphyly of microbats is of particular controversy that needs to be confirmed. In this study, we attempted to use the nucleotide sequence of transthyretin (TTR) intron 1 to resolve the relationship among bats. To explore its utility, the complete sequences of TTR gene and intron 1 region of bats in Vespertilionidae: genus Eptesicus (Eptesicus fuscus) and genus Myotis (Myotis brandtii, Myotis davidii, and Myotis lucifugus), and Pteropodidae (Pteropus alecto and Pteropus vampyrus) were extracted from the retrieved sequences, whereas those of Rhinoluphus affinis and Scotophilus kuhlii were amplified and sequenced. The derived overall amino sequences of bat TTRs were found to be very similar to those in other eutherians but differed from those in other classes of vertebrates. However, missing of amino acids from N-terminal or C-terminal region was observed. The phylogenetic analysis of amino acid sequences suggested bat and other eutherian TTRs lineal descent from a single most recent common ancestor which differed from those of non-placental mammals and the other classes of vertebrates. The splicing of bat TTR precursor mRNAs was similar to those of other eutherian but different from those of marsupial, bird, reptile and amphibian. Based on TTR intron 1 sequence, the inferred evolutionary relationship within Chiroptera revealed more closely relatedness of R. affinis to megabats than to microbats. Accordingly, the paraphyly of microbats was suggested.

  13. Low-order design and high-order simulation of active closed-loop control for aerospace structures under construction

    NASA Technical Reports Server (NTRS)

    Balas, Mark J.

    1989-01-01

    Partially constructed/assembled structures in space are complicated enough but their dynamics will also be operating in closed-loop with feedback controllers. The dynamics of such structures are modeled by large-scale finite element models. The model dimension L is extremely large (approximately 10,000) while the numbers of actuators (M) and sensors (P) are small. The model parameters M(sub m) mass matrix, D(sub o) damping matrix, and K(sub o) stiffness matrix, are all symmetric and sparse (banded). Thus simulation of open-loop structure models of very large dimension can be accomplished by special integration techniques for sparse matrices. The problem of simulation of closed-loop control of such structures is complicated by the addition of controllers. Simulation of closed-loop controlled structures is an essential part of the controller design and evaluation process. Current research in the following areas is presented: high-order simulation of actively controlled aerospace structures; low-order controller design and SCI compensation for unmodeled dynamics; prediction of closed-loop stability using asymptotic eigenvalue series; and flexible robot manipulator control experiment.

  14. Second-order discrete Kalman filtering equations for control-structure interaction simulations

    NASA Technical Reports Server (NTRS)

    Park, K. C.; Belvin, W. Keith; Alvin, Kenneth F.

    1991-01-01

    A general form for the first-order representation of the continuous, second-order linear structural dynamics equations is introduced in order to derive a corresponding form of first-order Kalman filtering equations (KFE). Time integration of the resulting first-order KFE is carried out via a set of linear multistep integration formulas. It is shown that a judicious combined selection of computational paths and the undetermined matrices introduced in the general form of the first-order linear structural systems leads to a class of second-order discrete KFE involving only symmetric, N x N solution matrix.

  15. Aedes aegypti pharate 1st instar quiescence: a case for anticipatory reproductive plasticity.

    PubMed

    Perez, Mario H; Noriega, Fernando G

    2013-03-01

    Aedes aegypti mosquitoes use pharate 1st instar quiescence to cope with fluctuations in water availability hosting a fully developed 1st instar larvae within the chorion. The duration of this quiescence has been shown to affect larval fitness. This study sought to determine if an extended egg quiescence can elicit a plastic response resulting in an adult phenotype distinct from adults reared from short quiescence eggs. Our findings indicate that extended pharate 1st instar quiescence affects the performance and reproductive fitness of the adult female mosquito as well as the nutritional status of its progeny via maternal effects in an adaptive manner. This study demonstrates that phenotypic plasticity results as a consequence of the duration of pharate 1st instar quiescence and alternative phenotypes may exist for this mosquito with quiescence serving as a cue possibly signaling the environmental conditions that follow a dry period. These findings have implications for A. aegypti's success as a vector, geographic distribution, vector capacity and control.

  16. Highlights of the 1st Student Symposium of the ISCB RSG UK

    PubMed Central

    Rahman, Farzana; Farmer, Rohit; Das, Sayoni; Vayani, Fatima; Hassan, Mehedi

    2015-01-01

    This short report summarises the scientific content and activities of a student-led event, the 1st student symposium by the UK Regional Student Group of the International Society for Computational Biology. The event took place on the 8th of October 2014. PMID:26998223

  17. 25. PRIMARY POWER TRANSMISSION BELT HOLES IN 1st FLOOR MILL ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    25. PRIMARY POWER TRANSMISSION BELT HOLES IN 1st FLOOR MILL NO. 1 CEILING. WATER-POWERED MACHINERY LOCATED IN BASEMENT RAN LEATHER BELTS THROUGH THESE HOLES. POWER WAS THEN TRANSMITTED TO SHAFTS AND PULLEYS TO RUN MACHINERY ON MILL FLOORS. - Prattville Manufacturing Company, Number One, 242 South Court Street, Prattville, Autauga County, AL

  18. 24. OVERALL OF 1st FLOOR OF MILL NO. 1. PALLETS ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    24. OVERALL OF 1st FLOOR OF MILL NO. 1. PALLETS HELD CLOTH IN STORAGE IN LATE 20th CENTURY. IRON POSTS IN LEFT DISTANCE FRONTED CLOTH BINS. HISTORIAN LEEANN LANDS IN BACKGROUND WITH LIGHT. - Prattville Manufacturing Company, Number One, 242 South Court Street, Prattville, Autauga County, AL

  19. The Student View of 1st Year Laboratory Work in the Biosciences--Score Gamma?

    ERIC Educational Resources Information Center

    Collis, Mike; Gibson, Alan; Hughes, Ian; Sayers, Gill; Todd, Martin

    2008-01-01

    Students registered on 1st year bioscience courses in 9 universities were surveyed for their views on the laboratory classes they were taking. Returns were obtained from 695 (70%). Student views were varied, some viewing particular features of laboratory classes as "good" while others viewed the same features as "bad". Students…

  20. 48. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    48. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st St. S., Columbus, Ms Latching mechanism, E end of turn span, view from N. Sarcone Photography, Columbus, MS. Sep 1978. - Bridges of the Upper Tombigbee River Valley, Columbus, Lowndes County, MS

  1. 49. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    49. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st St. S., Columbus, Ms. Top of pier and underside of w end of turn span. Sarcone Photography, Columbus, Ms. Sep 1978. - Bridges of the Upper Tombigbee River Valley, Columbus, Lowndes County, MS

  2. 47. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    47. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st St. S., Columbus, Ms. Latching mechanism, E end of turn span, viewed from W. Sarcone Photography, Columbus, Ms. Sep 1978. - Bridges of the Upper Tombigbee River Valley, Columbus, Lowndes County, MS

  3. 42. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    42. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st St. S., Columbus, Ms. Copy of postcard ca. 1900. Copy owned and made by Jack Donnell, Columbus, Ms. Shows two-span steel truss, built by Phoenix Bridge Co. in 1878. Negative copied by: Sarcone Photography, Columbus, Ms. Sep 1978. - Bridges of the Upper Tombigbee River Valley, Columbus, Lowndes County, MS

  4. Plasmodium falciparum malaria in 1(st)-2(nd) century CE southern Italy.

    PubMed

    Marciniak, Stephanie; Prowse, Tracy L; Herring, D Ann; Klunk, Jennifer; Kuch, Melanie; Duggan, Ana T; Bondioli, Luca; Holmes, Edward C; Poinar, Hendrik N

    2016-12-05

    The historical record attests to the devastation malaria exacted on ancient civilizations, particularly the Roman Empire [1]. However, evidence for the presence of malaria during the Imperial period in Italy (1st-5th century CE) is based on indirect sources, such as historical, epigraphic, or skeletal evidence. Although these sources are crucial for revealing the context of this disease, they cannot establish the causative species of Plasmodium. Importantly, definitive evidence for the presence of malaria is now possible through the implementation of ancient DNA technology. As malaria is presumed to have been at its zenith during the Imperial period [1], we selected first or second molars from 58 adults from three cemeteries from this time: Isola Sacra (associated with Portus Romae, 1st-3rd century CE), Velia (1st-2nd century CE), and Vagnari (1st-4th century CE). We performed hybridization capture using baits designed from the mitochondrial (mtDNA) genomes of Plasmodium spp. on a prioritized subset of 11 adults (informed by metagenomic sequencing). The mtDNA sequences generated provided compelling phylogenetic evidence for the presence of P. falciparum in two individuals. This is the first genomic data directly implicating P. falciparum in Imperial period southern Italy in adults.

  5. Perceptual Narrowing of Linguistic Sign Occurs in the 1st Year of Life

    ERIC Educational Resources Information Center

    Palmer, Stephanie Baker; Fais, Laurel; Golinkoff, Roberta Michnick; Werker, Janet F.

    2012-01-01

    Over their 1st year of life, infants' "universal" perception of the sounds of language narrows to encompass only those contrasts made in their native language (J. F. Werker & R. C. Tees, 1984). This research tested 40 infants in an eyetracking paradigm and showed that this pattern also holds for infants exposed to seen language--American Sign…

  6. 77 FR 22574 - Filing Dates for the Washington Special Election In the 1st Congressional District

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-16

    ... From the Federal Register Online via the Government Publishing Office FEDERAL ELECTION COMMISSION Filing Dates for the Washington Special Election In the 1st Congressional District AGENCY: Federal Election Commission. ACTION: Notice of filing dates for special election. SUMMARY: Washington has...

  7. Breaking Down Barriers for 1st-Year Teachers: What Teacher Preparation Programs Can Do

    ERIC Educational Resources Information Center

    Brashier, Allison; Norris, Elizabeth

    2008-01-01

    A developmentally appropriate learning environment for young children is vital for successful learning. However, implementing developmentally appropriate practices can be a challenge for 1st-year teachers because of the pressures of standardized testing. The purpose of this study was to examine the struggles teachers encounter in implementing…

  8. The Course of Psychological Disorders in the 1st Year After Cancer Diagnosis

    ERIC Educational Resources Information Center

    Kangas, Maria; Henry, Jane L.; Bryant, Richard A.

    2005-01-01

    This study investigated the relationship between acute stress disorder (ASD) and posttraumatic stress disorder (PTSD) and comorbid anxiety, depressive, and substance use disorders over the first 12-month period following a cancer diagnosis. Individuals recently diagnosed with 1st onset head and neck or lung malignancy were assessed for ASD within…

  9. 75 FR 12544 - Filing Dates for the Hawaii Special Election In the 1st Congressional District

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-03-16

    ... Filing Dates for the Hawaii Special Election In the 1st Congressional District AGENCY: Federal Election Commission. ACTION: Notice of filing dates for special election. SUMMARY: Hawaii has scheduled a Special... Campaign Committees All principal campaign committees of candidates who participate in the Hawaii...

  10. 130. Post1911. Photograph labeled, 'SEASON 1913. CAPTAIN, 1st MATE, SUPT ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    130. Post-1911. Photograph labeled, 'SEASON 1913. CAPTAIN, 1st MATE, SUPT AND STOREKEEPER, A.P. ASS'N CANNERY, SHIP STAR OF ALASKA.' View forward from mizzenmast, post side. - Ship BALCLUTHA, 2905 Hyde Street Pier, San Francisco, San Francisco County, CA

  11. How Many Attempts Until Success in Some Core 1st. Year Disciplines?

    ERIC Educational Resources Information Center

    Fernandes, Graça Leão; Andrade e Silva, João; Lopes, Margarida Chagas

    2012-01-01

    Due to a general development in education brought about by democracy, Portugal has witnessed tremendous development in Higher Education (HE) since the beginning of the 1980s. Nevertheless, the percentage of graduates among the Portuguese population still ranks far below most European countries. This is why academic performance in HE 1st cycle…

  12. Antiferromagnetic order and the structural order-disorder transition in the Cd6Ho quasicrystal approximant

    SciTech Connect

    Kreyssig, Andreas; Beutier, Guillaume; Hiroto, Takanobu; Kim, Min Gyu; Tucker, Gregory S.; de Boissieu, Marc; Tamura, Ryuji; Goldman, Alan I.

    2014-09-22

    It has generally been accepted that the orientational ordering of the Cd4 tetrahedron within the Cd6 R quasicrystal approximants is kinetically inhibited for R = Ho, Er, Tm and Lu by steric constraints. Our high-resolution X-ray scattering measurements of the Cd6Ho quasicrystal approximant, however, reveal an abrupt (first-order) transition to a monoclinic structure below T S = 178 K for samples that have ‘aged’ at room temperature for approximately one year, reopening this question. Using X-ray resonant magnetic scattering at the Ho L 3-edge we have elucidated the nature of the antiferromagnetic ordering below T N = 8.5 K in Cd6Ho. The magnetic Bragg peaks are found at the charge forbidden H + K + L = 2n + 1 positions, referenced to the high-temperature body-centred cubic structure. In general terms, this corresponds to antiferromagnetic arrangements of the Ho moments on adjacent clusters in the unit cell as previously found for Cd6Tb.

  13. Structural Order-Disorder Transformations Monitored by X-Ray Diffraction and Photoluminescence

    ERIC Educational Resources Information Center

    Lima, R. C.; Paris, E. C.; Leite, E. R.; Espinosa, J. W. M.; Souza, A. G.; Longo, E.

    2007-01-01

    A study was conducted to examine the structural order-disorder transformation promoted by controlled heat treatment using X-ray diffraction technique (XRD) and photoluminescence (PL) techniques as tools to monitor the degree of structural order. The experiment was observed to be versatile and easily achieved with low cost which allowed producing…

  14. Higher order factor structure of the WISC-IV in a clinical neuropsychological sample.

    PubMed

    Bodin, Doug; Pardini, Dustin A; Burns, Thomas G; Stevens, Abigail B

    2009-09-01

    A confirmatory factor analysis was conducted examining the higher order factor structure of the WISC-IV scores for 344 children who participated in neuropsychological evaluations at a large children's hospital. The WISC-IV factor structure mirrored that of the standardization sample. The second order general intelligence factor (g) accounted for the largest proportion of variance in the first-order latent factors and in the individual subtests, especially for the working memory index. The first-order processing speed factor exhibited the most unique variance beyond the influence of g. The results suggest that clinicians should not ignore the contribution of g when interpreting the first-order factors.

  15. Discrete integration of continuous Kalman filtering equations for time invariant second-order structural systems

    NASA Technical Reports Server (NTRS)

    Park, K. C.; Belvin, W. Keith

    1990-01-01

    A general form for the first-order representation of the continuous second-order linear structural-dynamics equations is introduced to derive a corresponding form of first-order continuous Kalman filtering equations. Time integration of the resulting equations is carried out via a set of linear multistep integration formulas. It is shown that a judicious combined selection of computational paths and the undetermined matrices introduced in the general form of the first-order linear structural systems leads to a class of second-order discrete Kalman filtering equations involving only symmetric sparse N x N solution matrices.

  16. 44. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    44. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st St. S., Columbus, Ms. Detail from Camille Drie's map: A Bird's Eye View of Columbus, Mississippi ca. 1875-76. Shows M&O RR bridge before the Phoenix Bridge Co. erected iron truss spans in 1878. Credit: Photostat of map in Lowndes Co. Public Library Sarcone Photography, Columbus, Ms. 1978. - Bridges of the Upper Tombigbee River Valley, Columbus, Lowndes County, MS

  17. Aedes aegypti pharate 1st instar quiescence affects larval fitness and metal tolerance.

    PubMed

    Perez, Mario H; Noriega, Fernando G

    2012-06-01

    The eggs of the mosquito Aedes aegypti possess the ability to undergo an extended quiescence hosting a fully developed 1st instar larvae within the chorion. As a result of this life history trait pharate larvae can withstand months of quiescence inside the egg where they depend on stored maternal reserves. A. aegypti mosquitoes are frequently associated with urban habitats that may contain significant metal pollution. Therefore, the duration of quiescence and extent of nutritional depletion may affect the physiology and survival of larvae that hatch in a suboptimal habitat. The aim of this study was to determine the effect of an extended quiescence on larval nutrient reserves and the subsequent effects of metal exposure on larval fitness, survival and development. We hypothesized that an extended quiescence would reduce nutritional reserves and alter the molecular response to metal exposure thereby reducing larval survival and altering larval development. As a molecular marker for metal stress responses, we evaluated transcriptional changes in the metallothionein gene (AaMtn) in response to quiescence and metal exposure. Extended 1st instar quiescence resulted in a significant decrease in lipid reserves and negatively affected larval fitness and development. AaMtn transcription and metal tolerance were compromised in first instars emerged from eggs that had undergone an extended quiescence. These findings suggest that newly emerged mosquito larvae that had survived a relatively long pharate 1st instar quiescence (as might occur during a dry season) are more vulnerable to environmental stress. Pharate 1st instar quiescence could have implications for vector control strategies. Newly emerged mosquito larvae at the end of the dry season or start of the wet season are physiologically compromised, and therefore potentially more susceptible to vector control strategies than mosquito larvae hatched subsequently throughout the wet season.

  18. 7. Photographic copy of original construction drawing, ELECTRICAL 1ST AND ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    7. Photographic copy of original construction drawing, ELECTRICAL 1ST AND 2ND FLOOR PLANS, SHEET 10 of 11, DRAWING NO. 35-03-05 SF 5/1677, U.S. Army Engineer District, Detroit, Corps of Engineers, 9 June, 1959, on file Selfridge Base Museum. - Selfridge Field, Building No. 1041, West of E Street, north of D Street, Mount Clemens, Macomb County, MI

  19. 46. NORTH END OF MILL NO. 2, 1st FLOOR, BELOW ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    46. NORTH END OF MILL NO. 2, 1st FLOOR, BELOW PICKER AND CLOTH ROOM AREA. FUNCTION OF THIS SPACE UNKNOWN AT PRESENT. NOTE THAT EYE BEAM REPLACES ORIGINAL WALL OF 1892 PICKER HOUSE. CENTER (OR LEFT) DOOR IS ENTRY TO MILL NO. 2. RIGHT DOOR IS ENTRY TO 1892 NAPPER ROOM. - Prattville Manufacturing Company, Number One, 242 South Court Street, Prattville, Autauga County, AL

  20. 43. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    43. MISSISSIPPI, LOWNDES CO. COLUMBUS RAILROAD BRIDGE End of 1st St. S., Columbus, Ms. Copy of photo 1900. Shows 1878 M&O RR bridge. The steamboat, 'Gopher,' in foreground, was an archeological survey vessel from the Franklin Institute in Philadelphia. Published in Art in Mississippi (1901). Credit: Copied from print in Lowndes Co. Public Library by Sarcone Photography, Columbus, Ms. 1978. - Bridges of the Upper Tombigbee River Valley, Columbus, Lowndes County, MS

  1. Gold–promoted structurally ordered intermetallic palladium cobalt nanoparticles for the oxygen reduction reaction

    SciTech Connect

    Kuttiyiel, Kurian A.; Sasaki, Kotaro; Su, Dong; Wu, Lijun; Zhu, Yimei; Adzic, Radoslav R.

    2014-11-06

    Considerable efforts to make palladium and palladium alloys active catalysts and a possible replacement for platinum have had a marginal success. Here, we report on a structurally ordered Au₁₀Pd₄₀Co₅₀ catalyst that exhibits comparable activity to conventional platinum catalysts in both acid and alkaline media. Electron microscopic techniques demonstrate that via addition of gold atoms PdCo nanoparticles undergo at elevated temperatures an atomic structural transition from core-shell to a rare intermetallic ordered structure with twin boundaries forming stable {111}, {110} and {100} facets. The superior stability of this catalyst compared to platinum after 10,000 potential cycles in alkaline media is attributed to the atomic structural order of PdCo nanoparticles along with protective effect of clusters of gold atoms on the surface. This strategy of making ordered palladium intermetallic alloy nanoparticles can be used in diverse heterogeneous catalysis where particle size and structural stability matters.

  2. First-Order Structural Change Accompanied by Yb Valence Transition in YbInCu4

    NASA Astrophysics Data System (ADS)

    Tsutsui, Satoshi; Sugimoto, Kunihisa; Tsunoda, Ryoma; Hirose, Yusuke; Mito, Takeshi; Settai, Rikio; Mizumaki, Masaichiro

    2016-06-01

    A diffraction experiment using high-energy X-rays was carried out on YbInCu4. Below the Yb valence transition temperature, the splitting of Bragg peaks was detected in high-order reflections. No superlattice reflections accompanying the valence ordering were found below the transition temperature. These experimental findings indicate that a structural change from a cubic structure to a tetragonal structure without valence ordering occurs at the transition temperature. Such a structural change free from any valence ordering is difficult to understand only in terms of Yb valence degrees of freedom. This means that the structural change may be related to electronic symmetries such as quadrupolar degrees of freedom as well as to the change in Yb valence.

  3. XAFS study on structural order in highly monodispersed thiol-stabilized Au nanoparticles

    NASA Astrophysics Data System (ADS)

    Huang, Y.; Liu, W.; Yang, L.; Huang, T.; Jiang, Y.; Yao, T.; Wei, S.

    2016-05-01

    Understanding the influence of thiol on nanoparticle size and structure is essential for the fundamental and applied researches. Here, using x-ray absorption fine structure (XAFS) spectroscopy, we investigate the structural order of Au nanoparticles (NPs) in the protection of thiol ligands with different contents. We found that besides protecting Au NPs against aggregation and growth, thiolates can effectively eliminate the dangling bonds of unsaturated Au atoms, and thus increase the structural order. This work enriches our knowledge of Au-S interface interaction and guides the way towards preparing size-controllable nanoparticles with specific physical/chemical properties.

  4. Development of higher-order modal methods for transient thermal and structural analysis

    NASA Technical Reports Server (NTRS)

    Camarda, Charles J.; Haftka, Raphael T.

    1989-01-01

    A force-derivative method which produces higher-order modal solutions to transient problems is evaluated. These higher-order solutions converge to an accurate response using fewer degrees-of-freedom (eigenmodes) than lower-order methods such as the mode-displacement or mode-acceleration methods. Results are presented for non-proportionally damped structural problems as well as thermal problems modeled by finite elements.

  5. Second order scheme for Maxwell's equations with discontinuous dielectric permittivity on structured meshes

    NASA Astrophysics Data System (ADS)

    Ismagilov, Timur Z.

    2013-10-01

    A second order finite volume scheme for numerical solution of Maxwell's equations with discontinuous dielectric permittivity on structured meshes is suggested. The scheme is based on approaches of Godunov, Lax-Wendroff and Van Leer. The distinctive feature of the suggested scheme is calculation and limitation of derivatives that ensures second order of approximation even in the cells adjacent to dielectric permittivity discontinuity. Numerical tests for problems with linear and curvilinear dielectric permittivity discontinuities confirm second order of approximation.

  6. RETURN TO DIVISION IA FOOTBALL FOLLOWING A 1ST METATARSOPHALANGEAL JOINT DORSAL DISLOCATION

    PubMed Central

    Cook, Chad; Zarzour, Hap; Moorman, Claude T.

    2010-01-01

    Background. Although rare in occurrence, a dorsal dislocation of the 1st metatarsophalangeal (MTP) joint has been successfully treated using surgical and/or non-operative treatment. No descriptions of conservative intervention following a dorsal dislocation of the MTP joint in an athlete participating in a high contact sport are present in the literature. Objectives. The purpose of this case report is to describe the intervention and clinical reasoning during the rehabilitative process of a collegiate football player diagnosed with a 1st MTP joint dorsal dislocation. The plan of care and return to play criteria used for this athlete are presented. Case Description. The case involved a 19-year-old male Division IA football player, who suffered a traumatic dorsal dislocation of the 1st MTP joint during practice. The dislocation was initially treated on-site by closed reduction. Non-operative management included immobilization, therapeutic exercises, non-steroidal anti-inflammatories, manual treatment, modalities, prophylactic athletic taping, gait training, and a sport specific progression program for full return to Division IA football. Outcomes. Discharge from physical therapy occurred after six weeks of treatment. At discharge, no significant deviations existed during running, burst, and agility related drills. At a six-month follow-up, the patient reported full return to all football activities including contact drills without restrictions. Discussion. This case describes an effective six-week rehabilitation intervention for a collegiate football player who sustained a traumatic great toe dorsal dislocation. Further study is suggested to evaluate the intervention strategies and timeframe for return to contact sports. PMID:21589669

  7. Two-dimensional gratings of hexagonal holes for high order diffraction suppression.

    PubMed

    Liu, Ziwei; Shi, Lina; Pu, Tanchao; Li, Hailiang; Niu, Jiebin; Wang, Guanya; Xie, Changqing

    2017-01-23

    We propose two-dimensional gratings comprised of a large number of identical and similarly oriented hexagonal holes for the high order diffraction suppression. An analytical study of the diffraction property for such gratings, based on both square and triangle arrays, is described. The dependence of the high order diffraction property on the hole shape and size is investigated. Notably, theoretical calculation reveals that the 2nd, 3rd and 4th order diffractions adjacent to the 1st order diffraction can be completely suppressed, and the 5th order diffraction efficiency is as low as 0.01%, which will be submerged in the background noise for most practical applications. The 1st order diffraction intensity efficiency 6.93% can be achieved as the hexagonal holes along y-axis connect with each other. For the case of b=Py/3, the 1st order diffraction intensity efficiency is 3.08%. The experimental results are also presented, confirming the theoretical predictions. Especially, our two-dimensional gratings have the ability to form free-standing structures which are highly desired for the x-ray region. Comparing with the grating of the square array, the grating of the triangle array is easy to be fabricated by silicon planar process due to the large spacing between any two adjacent holes. Our results should be of great interest in a wide spectrum unscrambling from the infrared to the x-ray region.

  8. Temperature dependence of the structural order in the {gamma}{prime} phase of nickel base superalloy

    SciTech Connect

    Royer, A.; Bastie, P.; Veron, M.

    1999-03-19

    Single crystal nickel base superalloys are used for the high-temperature parts of aircraft engines like turbine blades. Their good mechanical properties at high temperature are related to the precipitation of an ordered {gamma}{prime} phase which induces a structural hardening of the material. The {gamma}{prime} phase has an ordered L1{sub 2} structure while the {gamma} matrix is disordered and has a FCC structure. The volume fraction of f{gamma}{prime} of the {gamma}{prime} phase evolves with the temperature and a complete solutionizing occurs above 1,280 C in the AM1 superalloy. The {gamma}{prime} phase of Ni based superalloys is usually analyzed through its prototype Ni{sub 3}Al. As the Ni{sub 3}Al structure remains totally ordered up to temperature very close to the melting point, it is commonly assumed in superalloys that the {gamma}{prime} phase precipitates are fully ordered up to their solutionizing and that the volume fraction of the precipitates is equivalent to the volume fraction of the ordered phase. However, in superalloys, it is difficult to separate experimentally the effects related to the solutionizing of the precipitates from those due to a possible partial disordering of the {gamma}{prime} phase and this assumption has not been verified yet. The aim of this paper is to study the structural order in the {gamma}{prime} phase of a superalloy.

  9. Spatial variances of wind fields and their relation to second-order structure functions and spectra

    NASA Astrophysics Data System (ADS)

    Vogelzang, Jur; King, Gregory P.; Stoffelen, Ad

    2015-02-01

    Kinetic energy variance as a function of spatial scale for wind fields is commonly estimated either using second-order structure functions (in the spatial domain) or by spectral analysis (in the frequency domain). Both techniques give an order-of-magnitude estimate. More accurate estimates are given by a statistic called spatial variance. Spatial variances have a clear interpretation and are tolerant for missing data. They can be related to second-order structure functions, both for discrete and continuous data. Spatial variances can also be Fourier transformed to yield a relation with spectra. The flexibility of spatial variances is used to study various sampling strategies, and to compare them with second-order structure functions and spectral variances. It is shown that the spectral sampling strategy is not seriously biased to calm conditions for scatterometer ocean surface vector winds. When the second-order structure function behaves like rp, its ratio with the spatial variance equals >(p+1>)>(p+2>). Ocean surface winds in the tropics have p between 2/3 and 1, so one-sixth to one-fifth of the second-order structure function value is a good proxy for the cumulative variance.

  10. Design of high-order elliptic filter from a versatile mode generic OTA-C structure

    NASA Astrophysics Data System (ADS)

    Ghosh, K.; Ray, B. N.

    2015-03-01

    A new synthesis methodology for high-order versatile mode programmable Operational transconductance amplifier and capacitor (OTA-C) generic filter structure is proposed. The structure fulfills the three main criteria of high frequency operation i.e it uses (1) less number of components (2) only single ended input OTAs (3) only grounded capacitors. Any nth order transfer function can be realised from it. Elliptic filter is designed from the generic structure using optimisation technique to reduce the number of OTAs. SPICE simulation with BSIM level 53 model and 0.13 μm process confirms the theoretical analysis. Frequency response of third-order and fourth-order elliptic filter is shown as representative set of simulated result. Sensitivity and non-ideal effect of the designed filter are studied.

  11. Higher order structure characterization of protein therapeutics by hydrogen/deuterium exchange mass spectrometry.

    PubMed

    Huang, Richard Y-C; Chen, Guodong

    2014-10-01

    Characterization of therapeutic drugs is a crucial step in drug development in the biopharmaceutical industry. Analysis of protein therapeutics is a challenging task because of the complexities associated with large molecular size and 3D structures. Recent advances in hydrogen/deuterium-exchange mass spectrometry (HDX-MS) have provided a means to assess higher-order structure of protein therapeutics in solution. In this review, the principles and procedures of HDX-MS for protein therapeutics characterization are presented, focusing on specific applications of epitope mapping for protein-protein interactions and higher-order structure comparison studies for conformational dynamics of protein therapeutics.

  12. "Superchiral" Spectroscopy: Detection of Protein Higher Order Hierarchical Structure with Chiral Plasmonic Nanostructures.

    PubMed

    Tullius, Ryan; Karimullah, Affar S; Rodier, Marion; Fitzpatrick, Brian; Gadegaard, Nikolaj; Barron, Laurence D; Rotello, Vincent M; Cooke, Graeme; Lapthorn, Adrian; Kadodwala, Malcolm

    2015-07-08

    Optical spectroscopic methods do not routinely provide information on higher order hierarchical structure (tertiary/quaternary) of biological macromolecules and assemblies. This necessitates the use of time-consuming and material intensive techniques, such as protein crystallography, NMR, and electron microscopy. Here we demonstrate a spectroscopic phenomenon, superchiral polarimetry, which can rapidly characterize ligand-induced changes in protein higher order (tertiary/quaternary) structure at the picogram level, which is undetectable using conventional CD spectroscopy. This is achieved by utilizing the enhanced sensitivity of superchiral evanescent fields to mesoscale chiral structure.

  13. Supramolecular order and structural dynamics: A STM study of 2H-tetraphenylporphycene on Cu(111)

    SciTech Connect

    Stark, Michael; Träg, Johannes; Ditze, Stefanie; Steinrück, Hans-Peter; Marbach, Hubertus; Brenner, Wolfgang; Jux, Norbert

    2015-03-14

    The adsorption of 2H-tetraphenylporphycene (2HTPPc) on Cu(111) was investigated by scanning tunneling microscopy (STM). At medium coverages, supramolecular ordered islands are observed. The individual 2HTPPc molecules appear as two pairs of intense protrusions which are separated by an elongated depression. In the islands, the molecules are organized in rows oriented along one of the close packed Cu(111) substrate rows; the structure is stabilized by T-type interactions of the phenyl substituents of neighboring molecules. Two types of rows are observed, namely, highly ordered rows in which all molecules exhibit the same orientation, and less ordered rows in which the molecules exhibit two perpendicular orientations. Altogether, three different azimuthal orientations of 2HTPPc are observed within one domain, all of them rotated by 15° ± 1° relative to one closed packed Cu direction. The highly ordered rows are always separated by either one or two less ordered rows, with the latter structure being the thermodynamically more stable one. The situation in the islands is highly dynamic, such that molecules in the less ordered rows occasionally change orientation, also complete highly ordered rows can move. The supramolecular order and structural dynamics are discussed on the basis of the specific molecule-substrate and molecule-molecule interactions.

  14. Treatment of Second-Order Structures of Proteins Using Oxygen Radio Frequency Plasma

    NASA Astrophysics Data System (ADS)

    Hayashi, Nobuya; Nakahigashi, Akari; Liu, Hao; Goto, Masaaki

    2010-08-01

    Decomposition characteristics of second-order structures of proteins are determined using an oxygen radio frequency (RF) plasma sterilizer in order to prevent infectious proteins from contaminating medical equipment in hospitals. The removal of casein protein as a test protein with a concentration of 50 mg/cm2 on the plane substrate requires approximately 8 h when singlet atomic oxygen is irradiated. The peak intensity of Fourier transform infrared spectroscopy (FTIR) spectra of the β-sheet structures decreases at approximately the same rate as those of the α-helix and first-order structures of proteins. Active oxygen has a sufficient oxidation energy to dissociate hydrogen bonds within the β-sheet structure.

  15. Proposal for electronic nematic order parameter sensitive to intra unit cell structures

    NASA Astrophysics Data System (ADS)

    Lawler, Michael; Fujita, K.; Schmidt, A.; Lee, Jhinhwan; Kim, Chung Koo; Eisaki, H.; Uchida, S.; Davis, J. C.; Sethna, J. P.; Kim, Eun-Ah

    2010-03-01

    We propose an order parameter for detecting signatures of electronic nematic ordering using local probes such as scanning tunneling microscopy(STM). The order parameter is designed to measure rotational symmetry breaking without prejudice towards translational symmetry breaking -- achieved by focusing on intra unit cell structures. This order parameter utilizes Fourier space information much the same way as in diffraction measurements, opening the possibility for a comparative study of nematicity between different probes. Our study is primarily motivated by the patterns observed in STM measurements on underdoped cuprates. We discuss theoretical implications of our results in this light.

  16. Strengthening of polymer ordered porous materials based on a layered nanocomposite internal structure

    NASA Astrophysics Data System (ADS)

    Heng, Liping; Guo, Xieyou; Guo, Tianqi; Wang, Bin; Jiang, Lei

    2016-07-01

    Ordered porous polymeric films attract more and more attention because they have many advantages and broad application prospects in many fields. But because of their large flexibility and poor mechanical properties, some of the scope for application is greatly limited. Inspired by the ordered pore structure of the honeycomb and the layered structure of natural nacre, we prepared an ordered porous polymer film with a layered structure in the pore wall by the solvent-evaporation-restriction assisted hard template method. Compared with other samples, this kind of film with the layered structure showed both excellent mechanical properties and good stability. This kind of film with high mechanical strength, is considered to have wide applications in the areas of separation, biomedicine, precision instruments, aerospace, environmental protection and so on.Ordered porous polymeric films attract more and more attention because they have many advantages and broad application prospects in many fields. But because of their large flexibility and poor mechanical properties, some of the scope for application is greatly limited. Inspired by the ordered pore structure of the honeycomb and the layered structure of natural nacre, we prepared an ordered porous polymer film with a layered structure in the pore wall by the solvent-evaporation-restriction assisted hard template method. Compared with other samples, this kind of film with the layered structure showed both excellent mechanical properties and good stability. This kind of film with high mechanical strength, is considered to have wide applications in the areas of separation, biomedicine, precision instruments, aerospace, environmental protection and so on. Electronic supplementary information (ESI) available: SEM image of hexagonal silicon pillar templates, AFM images of clay platelets on a silicon substrate, photographs of free-standing gels, X-ray diffraction profiles for dried materials, FTIR and TGA of the samples, and

  17. Using high-order methods on adaptively refined block-structured meshes - discretizations, interpolations, and filters.

    SciTech Connect

    Ray, Jaideep; Lefantzi, Sophia; Najm, Habib N.; Kennedy, Christopher A.

    2006-01-01

    Block-structured adaptively refined meshes (SAMR) strive for efficient resolution of partial differential equations (PDEs) solved on large computational domains by clustering mesh points only where required by large gradients. Previous work has indicated that fourth-order convergence can be achieved on such meshes by using a suitable combination of high-order discretizations, interpolations, and filters and can deliver significant computational savings over conventional second-order methods at engineering error tolerances. In this paper, we explore the interactions between the errors introduced by discretizations, interpolations and filters. We develop general expressions for high-order discretizations, interpolations, and filters, in multiple dimensions, using a Fourier approach, facilitating the high-order SAMR implementation. We derive a formulation for the necessary interpolation order for given discretization and derivative orders. We also illustrate this order relationship empirically using one and two-dimensional model problems on refined meshes. We study the observed increase in accuracy with increasing interpolation order. We also examine the empirically observed order of convergence, as the effective resolution of the mesh is increased by successively adding levels of refinement, with different orders of discretization, interpolation, or filtering.

  18. Structure of the ordered hydration of amino acids in proteins: analysis of crystal structures

    SciTech Connect

    Biedermannová, Lada Schneider, Bohdan

    2015-10-27

    The hydration of protein crystal structures was studied at the level of individual amino acids. The dependence of the number of water molecules and their preferred spatial localization on various parameters, such as solvent accessibility, secondary structure and side-chain conformation, was determined. Crystallography provides unique information about the arrangement of water molecules near protein surfaces. Using a nonredundant set of 2818 protein crystal structures with a resolution of better than 1.8 Å, the extent and structure of the hydration shell of all 20 standard amino-acid residues were analyzed as function of the residue conformation, secondary structure and solvent accessibility. The results show how hydration depends on the amino-acid conformation and the environment in which it occurs. After conformational clustering of individual residues, the density distribution of water molecules was compiled and the preferred hydration sites were determined as maxima in the pseudo-electron-density representation of water distributions. Many hydration sites interact with both main-chain and side-chain amino-acid atoms, and several occurrences of hydration sites with less canonical contacts, such as carbon–donor hydrogen bonds, OH–π interactions and off-plane interactions with aromatic heteroatoms, are also reported. Information about the location and relative importance of the empirically determined preferred hydration sites in proteins has applications in improving the current methods of hydration-site prediction in molecular replacement, ab initio protein structure prediction and the set-up of molecular-dynamics simulations.

  19. Case study: a case of debilitating gout in the 1st metatarsophalangeal joint.

    PubMed

    Tanner, Natalie; Diaper, Ross; King, Mathew; Metcalfe, Stuart A

    2015-03-01

    Gout is a painful arthritic condition that affects many people worldwide. The disease has been associated with hyperuricaemia and life style risk factors such as obesity, alcohol intake, meat and seafood consumption. We present a case of a 67-year-old male with a history of gout, who attended the clinic with a painful 1st metatarsophalangeal joint, which had progressively worsened in pain, mobility and deformity in the last 20 years. Although lifestyle changes had been advised by the GP some years earlier such as a low purine based diet, management had only consisted of NSAID's, which had not significantly improved symptoms. Surgical excision of chalky white material from around the 1st metatarsophalangeal joint rendered the patient symptom free with increased mobility after 6 weeks. Histopathology confirmed the excised tissue as gouty tophus. Following this, the patient was placed on allopurinol, a xanthine oxidase inhibitor to prevent recurrent attacks. This case study highlights the importance of early recognition and prophylactic management in gout sufferers. In joints where the disease process is well-established surgical excision of the gouty tophus may help mitigate further disease progression, and restore quality of life to individuals.

  20. Protein ordered sequences are formed by random joining of amino acids in protein 0(th)-order structure, followed by evolutionary process.

    PubMed

    Ikehara, Kenji

    2014-12-01

    Only random processes should occur on the primitive Earth. In contrast, many ordered sequences are synthesized according to genetic information on the present Earth. In this communication, I have proposed an idea that protein 0(th)-order structures or specific amino acid compositions would mediate the transfer from random process to formation of ordered sequences, after formation of double-stranded genes.

  1. Beyond pairs: definition and interpretation of third-order structure in spatial point patterns.

    PubMed

    Kaito, Chiho; Dieckmann, Ulf; Sasaki, Akira; Takasu, Fugo

    2015-05-07

    Spatial distributions of biological species are an important source of information for understanding local interactions at the scale of individuals. Technological advances have made it easier to measure these distributions as spatial point patterns, specifying the locations of individuals. Extensive attention has been devoted to analyzing the second-order structure of such point patterns by focusing on pairs of individuals, and it is well known that the local crowdedness of individuals can thus be quantified. Statistical measures such as a point pattern׳s pair correlation function or Ripley׳s K function show whether a given point pattern is clustered (excess of short-distance pairs) or overdispersed (shortage of short-distance pairs). These notions are naturally defined in comparison with control patterns exhibiting complete spatial randomness, i.e., an absence of any spatial structure. However, there is no rational reason why the analysis of point patterns should stop at the second order. In this paper, we focus on triplets of individuals in an attempt to quantify and interpret the third-order structure of a point pattern. We demonstrate that point patterns with "bandedness", in which individuals are primarily distributed within bands, can be detected by an excess of thinner triplets at a characteristic spatial scale linked to the band׳s width. In this context, we show how the generation of control patterns as a reference for gauging a test pattern׳s triplet frequencies is critical for defining and interpreting the third-order structure of point patterns. Since perfect information on a point pattern׳s second-order structure typically suffices for its unique reconstruction (up to translation, rotation, and reflection), we conjecture that it is essential to minimally coarse-grain such second-order information before using it to generate control patterns for identifying a point pattern׳s third-order structure. We recommend the further exploration of this

  2. The Ordered Network Structure and Prediction Summary for M≥7 Earthquakes in Xinjiang Region of China

    NASA Astrophysics Data System (ADS)

    Men, Ke-Pei; Zhao, Kai

    2014-12-01

    M ≥7 earthquakes have showed an obvious commensurability and orderliness in Xinjiang of China and its adjacent region since 1800. The main orderly values are 30 a × k (k = 1,2,3), 11 ~ 12 a, 41 ~ 43 a, 18 ~ 19 a, and 5 ~ 6 a. In the guidance of the information forecasting theory of Wen-Bo Weng, based on previous research results, combining ordered network structure analysis with complex network technology, we focus on the prediction summary of M ≥ 7 earthquakes by using the ordered network structure, and add new information to further optimize network, hence construct the 2D- and 3D-ordered network structure of M ≥ 7 earthquakes. In this paper, the network structure revealed fully the regularity of seismic activity of M ≥ 7 earthquakes in the study region during the past 210 years. Based on this, the Karakorum M7.1 earthquake in 1996, the M7.9 earthquake on the frontier of Russia, Mongol, and China in 2003, and two Yutian M7.3 earthquakes in 2008 and 2014 were predicted successfully. At the same time, a new prediction opinion is presented that the future two M ≥ 7 earthquakes will probably occur around 2019 - 2020 and 2025 - 2026 in this region. The results show that large earthquake occurred in defined region can be predicted. The method of ordered network structure analysis produces satisfactory results for the mid-and-long term prediction of M ≥ 7 earthquakes.

  3. Real-space evidence of the equilibrium ordered bicontinuous double diamond structure of a diblock copolymer.

    PubMed

    Chu, C Y; Jiang, X; Jinnai, H; Pei, R Y; Lin, W F; Tsai, J C; Chen, H L

    2015-03-14

    The ordered bicontinuous double diamond (OBDD) structure has long been believed to be an unstable ordered network nanostructure, which is relative to the ordered bicontinuous double gyroid (OBDG) structure for diblock copolymers. Using electron tomography, we present the first real-space observation of the thermodynamically stable OBDD structure in a diblock copolymer composed of a stereoregular block, syndiotactic polypropylene-block-polystyrene (sPP-b-PS), in which the sPP tetrapods are interconnected via a bicontinuous network with Pn3̄m symmetry. The OBDD structure underwent a thermally reversible order-order transition (OOT) to OBDG upon heating, and the transition was accompanied with a slight reduction of domain spacing, as demonstrated both experimentally and theoretically. The thermodynamic stability of the OBDD structure was attributed to the ability of the configurationally regular sPP block to form helical segments, even above its melting point, as the reduction of internal energy associated with the helix formation may effectively compensate the greater packing frustration in OBDD relative to that in the tripods of OBDG.

  4. How noniridescent colors are generated by quasi-ordered structures of bird feathers.

    PubMed

    Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Mochrie, Simon G J; Prum, Richard O; Dufresne, Eric R; Cao, Hui

    2010-07-20

    We investigate the mechanism of structural coloration by quasi-ordered nanostructures in bird feather barbs. Small-angle X-ray scattering (SAXS) data reveal the structures are isotropic and have short-range order on length scales comparable to optical wavelengths. We perform angle-resolved reflection and scattering spectrometry to fully characterize the colors under directional and omni-directional illumination of white light. Under directional lighting, the colors change with the angle between the directions of illumination and observation. The angular dispersion of the primary peaks in the scattering/reflection spectra can be well explained by constructive interference of light that is scattered only once in the quasi-ordered structures. Using the Fourier power spectra of structure from the SAXS data we calculate optical scattering spectra and explain why the light scattering peak is the highest in the backscattering direction. Under omni-directional lighting, colors from the quasi-ordered structures are invariant with the viewing angle. The non-iridescent coloration results from the isotropic nature of structures instead of strong backscattering.

  5. How Noniridescent Colors Are Generated by Quasi-ordered Structures of Bird Feathers

    SciTech Connect

    Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Mochrie, Simon G.J.; Prum, Richard O.; Dufresne, Eric R.; Cao, Hui

    2012-03-26

    We investigate the mechanism of structural coloration by quasi-ordered nanostructures in bird feather barbs. Small-angle X-ray scattering (SAXS) data reveal the structures are isotropic and have short-range order on length scales comparable to optical wavelengths. We perform angle-resolved reflection and scattering spectrometry to fully characterize the colors under directional and omni-directional illumination of white light. Under directional lighting, the colors change with the angle between the directions of illumination and observation. The angular dispersion of the primary peaks in the scattering/reflection spectra can be well explained by constructive interference of light that is scattered only once in the quasi-ordered structures. Using the Fourier power spectra of structure from the SAXS data we calculate optical scattering spectra and explain why the light scattering peak is the highest in the backscattering direction. Under omni-directional lighting, colors from the quasi-ordered structures are invariant with the viewing angle. The non-iridescent coloration results from the isotropic nature of structures instead of strong backscattering.

  6. Vacancies in ordered and disordered titanium monoxide: Mechanism of B1 structure stabilization

    SciTech Connect

    Kostenko, M.G.; Lukoyanov, A.V.; Zhukov, V.P.; Rempel, A.A.

    2013-08-15

    The electronic structure and stability of three phases of titanium monoxide TiO{sub y} with B1 type of the basic structure have been studied. Cubic phase without structural vacancies, TiO, and two phases with structural vacancies, monoclinic Ti{sub 5}O{sub 5} and cubic disordered TiO{sub 1.0}, was treated by means of first-principles calculations within the density functional theory with pseudo-potential approach based on the plane wave's basis. The ordered monoclinic phase Ti{sub 5}O{sub 5} was found to be the most stable and the cubic TiO without vacancies the less stable one. The role of structural vacancies in the titanium sublattice is to decrease the Fermi energy, the role of vacancies in the oxygen sublattice is to contribute to the appearance of Ti–Ti bonding interactions through these vacancies and to reinforce the Ti–Ti interactions close to them. Listed effects are significantly pronounced if the vacancies in the titanium and oxygen sublattices are associated in the so called “vacancy channels” which determine the formation of vacancy ordered structure of monoclinic Ti{sub 5}O{sub 5}-type. - Graphical abstract: Changes in total DOS of titanium monoxide when going from vacancy-free TiO to TiO with disordered structural vacancies and to TiO with ordered structural vacancies. Highlights: • Ordered monoclinic Ti{sub 5}O{sub 5} is the most stable phase of titanium monoxide. • Vacancy-free TiO is the less stable phase of the titanium monoxide. • Ordering of oxygen vacancies leads to the appearance of Ti–Ti bonding interactions. • Titanium vacancies contribute significantly to the decreasing of the Fermi energy.

  7. Ordered structures of small numbers of nanorods induced by semiflexible star polymers.

    PubMed

    Zhang, Dong; He, Lilin; Zhang, Linxi

    2014-09-14

    The ordered structures of nanorods (NRs) in the semiflexible star polymer/NR mixtures are explored by employing molecular dynamics simulation. The structures of small numbers of NRs can be well controlled by varying the stiffness of semiflexible star polymers. At a moderate binding energy between star polymers and NRs, four completely different structures of small numbers of NRs are observed, including that the side-to-side hexagonal aggregation structures of NRs for flexible star polymers, the partly parallel aggregation structures of NRs and the end-to-end contact parallel aggregation structures of NRs for semiflexible star polymers, and the partial dispersion of NRs for rigid star polymers. Helical conformations of semiflexible star polymers binding with NRs are responsible for the formation of the end-to-end contact parallel aggregation structures for small numbers of NRs. This investigation may provide a possible pathway to develop ''smart'' medium to construct novel materials with high performance.

  8. Local orderings in long-range-disordered bismuth-layered intergrowth structure

    SciTech Connect

    Zhang, Faqiang; Li, Yongxiang; Gu, Hui; Gao, Xiang

    2014-04-01

    A series of intergrowth bismuth-layered (Bi{sub 3}TiNbO{sub 9}){sub 2}(Bi{sub 4}Ti{sub 3}O{sub 12}) (2{sub 2}3) ceramics were prepared by conventional solid-state reaction to study the characteristics of the local orderings in long-range-disordered intergrowth structures. High-resolution high-angle annular dark-field (HAADF) imaging reveals the intergrowth structure composed of mixtures of -23-, -223-, -2223- and -22- sequences, while the -223- structure is the thermodynamic stable state of this intergrowth system. It was confirmed by the crystals of recurrent -223- structure prepared by self-flux method and the nature of the local ordering was discussed from their differences in repeating units. The statistics show that when repeating units reach 4 or higher, the independent -223- intergrowth ordering emerges clearly among the competing associated orderings. We infer it is the kinetic factor that induces local compositional variance to result in long-range disordered intergrowth structures. - Graphical abstract: The long-range-disordered intergrowth structure in a (Bi{sub 3}TiNbO{sub 9}){sub 2}(Bi{sub 4}Ti{sub 3}O{sub 12}) (2{sub 2}3) grain, which is composed of various types of local orderings, such as -22-, -23- and -223-. - Highlights: • The characteristic of the long-range-disordered (Bi{sub 3}TiNbO{sub 9}){sub 2}(Bi{sub 4}Ti{sub 3}O{sub 12}) (2{sub 2}3) structure was statistically analyzed, and the ordered -223- structure was speculated to be the thermodynamic stable state of the system. • The crystals of the -223- structure were successfully prepared for the first time by self-melt method. • The lower limit of the repeating units (L) to uniquely determine an independent intergrowth structure was speculated to be L=4. • The analysis inferred that the kinetic process is the controlling factor to limit the structural continuity and induce the long-range-disordered intergrowth structure.

  9. Mimicking the rice leaf--from ordered binary structures to anisotropic wettability.

    PubMed

    Zhu, Difu; Li, Xiao; Zhang, Gang; Zhang, Xun; Zhang, Xuemin; Wang, Tieqiang; Yang, Bai

    2010-09-07

    In this paper, we report a method to fabricate a series of surfaces with large-area ordered binary arrays by controllable dewetting. The binary structure arrays consist of an ordered-stripe array and droplet-row array. In order to expand the system, polystyrene (PS) and poly(methyl methacrylate) (PMMA) are introduced in this experiment for investigation in detail. Through adjustment of the polymer solution concentration and the modified underlying pattern on substrate, the surface topographies can be controlled simply. Accordingly, three types of topographies with ordered binary arrays have been obtained by thermal annealing. These unique surfaces mimic the natural rice leaf structurally, which also displays anisotropic wettability for water droplet as natural surfaces. This method points out a new way for the manufacture of functional surfaces.

  10. Statistical mechanics of nucleosome ordering by chromatin-structure-induced two-body interactions.

    PubMed

    Chereji, Răzvan V; Tolkunov, Denis; Locke, George; Morozov, Alexandre V

    2011-05-01

    One-dimensional arrays of nucleosomes (DNA-bound histone octamers separated by stretches of linker DNA) fold into higher-order chromatin structures which ultimately make up eukaryotic chromosomes. Chromatin structure formation leads to 10-11 base pair (bp) discretization of linker lengths caused by the smaller free energy cost of packaging nucleosomes into regular chromatin fibers if their rotational setting (defined by the DNA helical twist) is conserved. We describe nucleosome positions along the fiber using a thermodynamic model of finite-size particles with both intrinsic histone-DNA interactions and an effective two-body potential. We infer one- and two-body energies directly from high-throughput maps of nucleosome positions. We show that higher-order chromatin structure helps explains in vitro and in vivo nucleosome ordering in transcribed regions, and plays a leading role in establishing well-known 10-11 bp genome-wide periodicity of nucleosome positions.

  11. Statistical mechanics of nucleosome ordering by chromatin-structure-induced two-body interactions

    NASA Astrophysics Data System (ADS)

    Chereji, Răzvan V.; Tolkunov, Denis; Locke, George; Morozov, Alexandre V.

    2011-05-01

    One-dimensional arrays of nucleosomes (DNA-bound histone octamers separated by stretches of linker DNA) fold into higher-order chromatin structures which ultimately make up eukaryotic chromosomes. Chromatin structure formation leads to 10-11 base pair (bp) discretization of linker lengths caused by the smaller free energy cost of packaging nucleosomes into regular chromatin fibers if their rotational setting (defined by the DNA helical twist) is conserved. We describe nucleosome positions along the fiber using a thermodynamic model of finite-size particles with both intrinsic histone-DNA interactions and an effective two-body potential. We infer one- and two-body energies directly from high-throughput maps of nucleosome positions. We show that higher-order chromatin structure helps explains in vitro and in vivo nucleosome ordering in transcribed regions, and plays a leading role in establishing well-known 10-11 bp genome-wide periodicity of nucleosome positions.

  12. Structure-preserving Galerkin POD reduced-order modeling of Hamiltonian systems

    NASA Astrophysics Data System (ADS)

    Gong, Yuezheng; Wang, Qi; Wang, Zhu

    2017-03-01

    The proper orthogonal decomposition reduced-order models (POD-ROMs) have been widely used as a computationally efficient surrogate models in large-scale numerical simulations of complex systems. However, when it is applied to a Hamiltonian system, a naive application of the POD method can destroy its Hamiltonian structure in the reduced-order model. In this paper, we develop a new reduce-order modeling approach for the Hamiltonian system, which uses the traditional framework of Galerkin projection-based model reduction but modifies the ROM so that the appropriate Hamiltonian structure is preserved. Since the POD truncation can degrade the approximation of the Hamiltonian function, we propose to use the POD basis from shifted snapshots to improve the Hamiltonian function approximation. We further derive a rigorous a priori error estimate of the structure-preserving ROM and demonstrate its effectiveness in several numerical examples. This approach can be readily extended to dissipative Hamiltonian systems, port-Hamiltonian systems etc.

  13. Structural ordering of multi-walled carbon nanotubes (MWCNTs) caused by gamma (γ)-ray irradiation

    SciTech Connect

    Silambarasan, D. Vasu, V.; Iyakutti, K.; Asokan, K.

    2015-06-24

    Multi-walled carbon nanotubes (MWCNTs) were irradiated by Gamma (γ)-rays in air with absorbed doses of 25 and 50 kGy. As a result of γ-ray irradiation, the inter-wall distance of MWCNTs was decreased and their graphitic order was improved. The reduction in inter-wall distance and structural ordering was improved with the increasing dosage of irradiation. Experimental evidences are provided by powder XRD and micro-Raman analyses.

  14. Structure of the ordered hydration of amino acids in proteins: analysis of crystal structures.

    PubMed

    Biedermannová, Lada; Schneider, Bohdan

    2015-11-01

    Crystallography provides unique information about the arrangement of water molecules near protein surfaces. Using a nonredundant set of 2818 protein crystal structures with a resolution of better than 1.8 Å, the extent and structure of the hydration shell of all 20 standard amino-acid residues were analyzed as function of the residue conformation, secondary structure and solvent accessibility. The results show how hydration depends on the amino-acid conformation and the environment in which it occurs. After conformational clustering of individual residues, the density distribution of water molecules was compiled and the preferred hydration sites were determined as maxima in the pseudo-electron-density representation of water distributions. Many hydration sites interact with both main-chain and side-chain amino-acid atoms, and several occurrences of hydration sites with less canonical contacts, such as carbon-donor hydrogen bonds, OH-π interactions and off-plane interactions with aromatic heteroatoms, are also reported. Information about the location and relative importance of the empirically determined preferred hydration sites in proteins has applications in improving the current methods of hydration-site prediction in molecular replacement, ab initio protein structure prediction and the set-up of molecular-dynamics simulations.

  15. Structure of the ordered hydration of amino acids in proteins: analysis of crystal structures

    PubMed Central

    Biedermannová, Lada; Schneider, Bohdan

    2015-01-01

    Crystallography provides unique information about the arrangement of water molecules near protein surfaces. Using a nonredundant set of 2818 protein crystal structures with a resolution of better than 1.8 Å, the extent and structure of the hydration shell of all 20 standard amino-acid residues were analyzed as function of the residue conformation, secondary structure and solvent accessibility. The results show how hydration depends on the amino-acid conformation and the environment in which it occurs. After conformational clustering of individual residues, the density distribution of water molecules was compiled and the preferred hydration sites were determined as maxima in the pseudo-electron-density representation of water distributions. Many hydration sites interact with both main-chain and side-chain amino-acid atoms, and several occurrences of hydration sites with less canonical contacts, such as carbon–donor hydrogen bonds, OH–π interactions and off-plane interactions with aromatic heteroatoms, are also reported. Information about the location and relative importance of the empirically determined preferred hydration sites in proteins has applications in improving the current methods of hydration-site prediction in molecular replacement, ab initio protein structure prediction and the set-up of molecular-dynamics simulations. PMID:26527137

  16. Structure-Specific Ribonucleases for MS-Based Elucidation of Higher-Order RNA Structure

    NASA Astrophysics Data System (ADS)

    Scalabrin, Matteo; Siu, Yik; Asare-Okai, Papa Nii; Fabris, Daniele

    2014-07-01

    Supported by high-throughput sequencing technologies, structure-specific nucleases are experiencing a renaissance as biochemical probes for genome-wide mapping of nucleic acid structure. This report explores the benefits and pitfalls of the application of Mung bean (Mb) and V1 nuclease, which attack specifically single- and double-stranded regions of nucleic acids, as possible structural probes to be employed in combination with MS detection. Both enzymes were found capable of operating in ammonium-based solutions that are preferred for high-resolution analysis by direct infusion electrospray ionization (ESI). Sequence analysis by tandem mass spectrometry (MS/MS) was performed to confirm mapping assignments and to resolve possible ambiguities arising from the concomitant formation of isobaric products with identical base composition and different sequences. The observed products grouped together into ladder-type series that facilitated their assignment to unique regions of the substrate, but revealed also a certain level of uncertainty in identifying the boundaries between paired and unpaired regions. Various experimental factors that are known to stabilize nucleic acid structure, such as higher ionic strength, presence of Mg(II), etc., increased the accuracy of cleavage information, but did not completely eliminate deviations from expected results. These observations suggest extreme caution in interpreting the results afforded by these types of reagents. Regardless of the analytical platform of choice, the results highlighted the need to repeat probing experiments under the most diverse possible conditions to recognize potential artifacts and to increase the level of confidence in the observed structural information.

  17. Gold–promoted structurally ordered intermetallic palladium cobalt nanoparticles for the oxygen reduction reaction

    DOE PAGES

    Kuttiyiel, Kurian A.; Sasaki, Kotaro; Su, Dong; ...

    2014-11-06

    Considerable efforts to make palladium and palladium alloys active catalysts and a possible replacement for platinum have had a marginal success. Here, we report on a structurally ordered Au₁₀Pd₄₀Co₅₀ catalyst that exhibits comparable activity to conventional platinum catalysts in both acid and alkaline media. Electron microscopic techniques demonstrate that via addition of gold atoms PdCo nanoparticles undergo at elevated temperatures an atomic structural transition from core-shell to a rare intermetallic ordered structure with twin boundaries forming stable {111}, {110} and {100} facets. The superior stability of this catalyst compared to platinum after 10,000 potential cycles in alkaline media is attributedmore » to the atomic structural order of PdCo nanoparticles along with protective effect of clusters of gold atoms on the surface. This strategy of making ordered palladium intermetallic alloy nanoparticles can be used in diverse heterogeneous catalysis where particle size and structural stability matters.« less

  18. Structure and order in cobalt/platinum-type nanoalloys: from thin films to supported clusters

    NASA Astrophysics Data System (ADS)

    Andreazza, Pascal; Pierron-Bohnes, Véronique; Tournus, Florent; Andreazza-Vignolle, Caroline; Dupuis, Véronique

    2015-06-01

    Among nanoalloys, Co-Pt type (CoPt or FePt) supported nanostructures are very interesting systems due to the direct link between atom arrangement and magnetic behavior. In addition, these alloys become model systems in the field of nanoalloys, due to the diversity of atom arrangements either present in the bulk state or specific to the nanoscale (chemically ordered L10, L12, or disordered fcc structures, core-shell, five-fold structures - icosahedral or decahedral, etc.). The synergy between experimental and modeling efforts has allowed the emergence of an overview of the structural, morphological and chemical behaviors of CoPt-based supported nanoparticles in terms of phase diagrams (temperature, composition, size effect), kinetic behavior (growth, annealing, ordering), and also in terms of environment effects (substrate, capping, matrix, gas) and of magnetic properties. All aspects of this complexity are reviewed: synthesis strategies (physical deposition, cluster beam deposition and wet chemical methods), magnetic behavior (atomic magnetic moment, magnetic anisotropy energy), structural transitions (non-crystalline/crystalline structures, order/disorder, surface/interface segregation), etc. In this field, the investigation techniques, such as electron microscopy and X-ray scattering or absorption techniques, are generally used at their ultimate limit due the small size of the studied objects. Finally, several aspects of the annealing process, which is a key phenomenon to achieve the chemical order, have been discussed in both thermodynamic and kinetic points of view (size effect, critical temperature, annealing time, twinning, coalescence, etc.).

  19. Substrate stiffness-modulated registry phase correlations in cardiomyocytes map structural order to coherent beating.

    PubMed

    Dasbiswas, K; Majkut, S; Discher, D E; Safran, Samuel A

    2015-01-19

    Recent experiments show that both striation, an indication of the structural registry in muscle fibres, as well as the contractile strains produced by beating cardiac muscle cells can be optimized by substrate stiffness. Here we show theoretically how the substrate rigidity dependence of the registry data can be mapped onto that of the strain measurements. We express the elasticity-mediated structural registry as a phase-order parameter using a statistical physics approach that takes the noise and disorder inherent in biological systems into account. By assuming that structurally registered myofibrils also tend to beat in phase, we explain the observed dependence of both striation and strain measurements of cardiomyocytes on substrate stiffness in a unified manner. The agreement of our ideas with experiment suggests that the correlated beating of heart cells may be limited by the structural order of the myofibrils, which in turn is regulated by their elastic environment.

  20. Correlations between magnetism, electrical conductivity and structural ordering in rare earth hydrides REH 2+x

    NASA Astrophysics Data System (ADS)

    Burger, J. P.; Daou, J. N.; Vajda, P.

    1990-12-01

    The excess hydrogen concentration x has fundamental effects on the magnetic properties which are due to modification of the conduction electron density and the shape of the Fermi surface, to crystal field effects and to order-disorder transitions within the H sublattice. We discuss: i) the occurrence of commensurate (for x = 0) and non-commensurate (for x > 0) antiferromagnetic ordering; ii) the effects of the crystal field which give rise to a non-Kondo resistivity minimum for PrH 2; iii) the incoherent and coherent Kondo effects of CeH 2+x and its relation with magnetism and structural ordering.

  1. Approximants of icosahedral quasicrystals: Atomic structure, inherent defects, and superstructural ordering

    SciTech Connect

    Dmitrienko, V. E. Chizhikov, V. A.

    2006-07-15

    The structural features of approximants of icosahedral and decagonal quasicrystals and new unusual approximants (rhombohedral AlPd and cubic Al{sub 68}Pd{sub 20}Ru{sub 12}) are considered. It is shown that most approximants can be described in terms of universal local ordering of atoms, in which the nearest neighbors of each atom occupy the vertices of an almost ideal dodecahedron: the so-called dodecahedral local ordering. A set of general atomic motifs in the approximants of different orders is found for quasicrystals of different types. It is shown that the dodecahedral local ordering can be easily described by the project method, in which the basis vectors directed along icosahedral threefold axes are used. Different types of defects inherent in dodecahedral local ordering are analyzed.

  2. Interplay between charge order, ferroelectricity, and ferroelasticity: tungsten bronze structures as a playground for multiferroicity.

    PubMed

    Yamauchi, Kunihiko; Picozzi, Silvia

    2010-09-03

    Charge order is proposed as a driving force behind ferroelectricity in iron fluoride K(0.6)Fe(0.6)(II)Fe(0.4)(III)F(3). By means of density functional theory, we propose several noncentrosymmetric d(5)/d(6) charge-ordering patterns, each giving rise to polarization with different direction and magnitude. Accordingly, we introduce the concept of "ferroelectric anisotropy" (peculiar to improper ferroelectrics with polarization induced by electronic degrees of freedom), denoting the small energy difference between competing charge-ordered states. Moreover, we suggest a novel type of charge-order-induced ferroelasticity: a monoclinic distortion is induced by a specific charge-ordering pattern, which, in turn, determines the direction of polarization. K(0.6)Fe(0.6)(II)Fe(0.4)(III)F(3) therefore emerges as a prototypical compound, in which the intimately coupled electronic and structural degrees of freedom result in a peculiar multiferroicity.

  3. Local slope, hillslope length and upslope unstable area as 1st order controls on co-seismic landslide hazard.

    NASA Astrophysics Data System (ADS)

    Milledge, D.; Densmore, A. L.; Petley, D. N.; Bellugi, D. G.; Li, G.

    2015-12-01

    Many communities in mountainous areas have limited access to and/or understanding of co-seismic landslide hazard maps. Furthermore these maps rarely provide the information that a community seeks: Where is safest? How big could the landslide be? Geomorphic intuition suggests that: 1) on the ridges one is less likely to be hit by a landslide than elsewhere in the landscape; 2) hazard increases with the amount of upslope unstable area; 3) longer slopes contain more candidate landslides and are also capable of producing larger landslides thus they constitute a more severe hazard. These observations could help communities in siting infrastructure or making earthquake plans but have not, to our knowledge, been tested against past landslide inventories. Co-seismic landslide models make no attempt to predict landslide size and focus on initiation, ignoring the runout which is critical in the slope length control on hazard. Here we test our intuitive hypotheses using an inventory of co-seismic landslides from the 2008 Wenchuan earthquake. The inventory is mapped from high-resolution remote imagery using an automated algorithm and manual delineation and does not distinguish between source and runout zones. Discretizing the study area into 30 m cells we define landslide hazard as the probability that a cell is within a mapped landslide polygon (p(ls)). We find that p(ls) increases rapidly with increasing slope and upslope area. Locations with low local slope (<10˚) or upslope area (<900 m2/m) have p(ls) less than one third of the areal average. The joint p(ls) conditional on local slope and upslope area identifies long steep slopes as particularly hazardous and ridges (where slope and upslope area are both low) as particularly low hazard. Examining the slope lengths associated with each landslide in the inventory we find that hillslope length sets an upper limit on landslide size but that its influence on the detailed size distribution is more difficult to untangle. Finally, we combine local slope and upslope unstable area in a simple mechanistic rule-based model of landslide runout hazard and test its ability to predict p(ls). Our findings support the intuitive view that long steep slopes are among the most hazardous locations while ridges are the least hazardous locations in terms of co-seismic landslides.

  4. Vivid structural colors with low angle dependence from long-range ordered photonic crystal films.

    PubMed

    Su, Xin; Xia, Hongbo; Zhang, Shufen; Tang, Bingtao; Wu, Suli

    2017-03-02

    Structural colored materials have attracted increasing attention due to their vivid color effects and non-photobleaching characteristics. However, the angle dependence of these structural colors severely restricts their practical applications, for example, in display and sensing devices. Here, a new strategy for obtaining low angle dependent structural colors is demonstrated by fabricating long-range ordered photonic crystal films. By using spheres with high refractive indices as building blocks, the angle dependence of the obtained colors has been strongly suppressed. Green, golden yellow and red structural colored films with low angle dependence were obtained by using 145 nm, 165 nm and 187 nm Cu2O spheres as building blocks, respectively. SEM images confirmed the long-range highly ordered arrays of the Cu2O photonic crystal films. Reflectance spectra and digital photographs clearly demonstrate the low angle dependence of these structural colors, which is in sharp comparison with the case of polystyrene (PS) and SiO2 photonic crystal films. Furthermore, these structural colors are vivid with high color saturation, not only under black background, but also under white background and natural light without adding any light-absorbing agents. These low angle dependent structural colors endow Cu2O photonic crystal films with great potential in practical applications. Our findings may broaden the strategies for the design and fabrication of angle independent structural colored materials.

  5. 4th generation of the 1st level surface detector trigger in the Pierre Auger Observator

    NASA Astrophysics Data System (ADS)

    Szadkowski, Z.

    The proposal of a new 4th generation of the Front-End with the advanced 1st level triggers for the Infill Array of the Pierre Auger Observatory and for the Auger North is described. Newest FPGA chips offer much higher capacity of logic registers and memories, as well as DSP blocks. The calibration channel, previously supported by an external dual-port RAM, has been fully implemented into FPGA chip, through a large internal memory. In turn DSP blocks allowed on implementation of much more sophisticated spectral trigger algorithms. A single chip simplified board design, newer architecture of FPGA reduced resouces utilization and power consumption. Higher sampling in the new Front- End in comparison with previous 40 MHz designs as well as free resources for new detection algotithms can be a good platform for CR radio detection technique at Auger enhancing a duty cycle for the detection of UHECR’s.

  6. Meeting report for the 1st skin microbiota workshop, boulder, CO October 15-16 2012

    PubMed Central

    2014-01-01

    This report details the outcome of the 1st Skin Microbiota Workshop, Boulder, CO, held on October 15th-16th 2012. The workshop was arranged to bring Department of Defense personnel together with experts in microbial ecology, human skin physiology and anatomy, and computational techniques for interrogating the microbiome to define research frontiers at the intersection of these important areas. The workshop outlined a series of questions and created several working groups to address those questions, specifically to promote interdisciplinary activity and potential future collaboration. The US Army provided generous grant support and the meeting was organized and hosted by the University of Colorado at Boulder. A primary forward vision of the meeting was the importance of understanding skin microbial communities to improve the health and stealth of US Army warfighters.

  7. Summary of the 1st International Workshop on Environmental, Safety and Economic Aspects of Fusion Power

    NASA Astrophysics Data System (ADS)

    Wu, Y.; Stevens, E.; Kim, K.; Maisonnier, D.; Kalashnikov, A.; Tobita, K.; Jackson, D.; Alejaldre, C.; Perrault, D.; Panayotov, D.; Merrill, B.; Grisolia, C.; Zucchetti, M.; Pinna, T.; van Houtte, D.; Konishi, S.; Kolbasov, B.

    2016-12-01

    The 1st International workshop on Environmental, Safety and Economic Aspects of Fusion Power (ESEFP) was held on 13 September 2015 at Jeju Island, South Korea. The workshop was initiated by the International Energy Agency Implementing Agreement on a Co-operative Program on ESEFP. The workshop was well attended with about forty participants representing twelve institutions in ten countries. The presentations covered safety issues and environmental impacts, availability improvement and risk control and socio-economic aspects of fusion power. Safety and licensing gaps between DEMO and ITER were discussed in depth with the consensus output presented as a plenary presentation at the 12th International Symposium on Fusion Nuclear Technology (ISFNT-12). The next workshop is planned to be held in conjunction with the ISFNT-13 in 2017.

  8. The reduced order model problem in distributed parameter systems adaptive identification and control. [large space structures

    NASA Technical Reports Server (NTRS)

    Johnson, C. R., Jr.; Lawrence, D.

    1981-01-01

    The basic assumption that a large space structure can be decoupled preceding the application of reduced order active control was considered and alternative solutions to the control of such structures (in contrast to the strict modal control) were investigated. The transfer function matrix from the actuators to the sensors was deemed to be a reasonable candidate. More refined models from multivariable systems theory were studied and recent results in the multivariable control field were compared with respect to theoretical deficiencies and likely problems in application to large space structures.

  9. The Higher Order Factor Structure and Gender Invariance of the Pathological Narcissism Inventory

    ERIC Educational Resources Information Center

    Wright, Aidan G. C.; Lukowitsky, Mark R.; Pincus, Aaron L.; Conroy, David E.

    2010-01-01

    The Pathological Narcissism Inventory (PNI) is a recently developed multidimensional inventory for the assessment of pathological narcissism. The authors describe and report the results of two studies that investigate the higher order factor structure and gender invariance of the PNI. The results of the first study indicate that the PNI has a…

  10. Constituent Structure and Linear Order in Language Production: Evidence from Subject-Verb Agreement

    ERIC Educational Resources Information Center

    Haskell, Todd R.; MacDonald, Maryellen C.

    2005-01-01

    A number of studies have shown that structural factors play a much larger role than the linear order of words during the production of grammatical agreement. These findings have been used as evidence for a stage in the production process at which hierarchical relations between constituents have been established (a necessary precursor to…

  11. Is Word-Order Similarity Necessary for Cross-Linguistic Structural Priming?

    ERIC Educational Resources Information Center

    Chen, Baoguo; Jia, Yuefang; Wang, Zhu; Dunlap, Susan; Shin, Jeong-Ah

    2013-01-01

    This article presents two experiments employing two structural priming paradigms that investigated whether cross-linguistic syntactic priming occurred in Chinese and English passive sentences that differ in word order (production-to-production priming in Experiment 1 and comprehension-to-production priming in Experiment 2). Results revealed that…

  12. Factors Affecting Higher Order Thinking Skills of Students: A Meta-Analytic Structural Equation Modeling Study

    ERIC Educational Resources Information Center

    Budsankom, Prayoonsri; Sawangboon, Tatsirin; Damrongpanit, Suntorapot; Chuensirimongkol, Jariya

    2015-01-01

    The purpose of the research is to develop and identify the validity of factors affecting higher order thinking skills (HOTS) of students. The thinking skills can be divided into three types: analytical, critical, and creative thinking. This analysis is done by applying the meta-analytic structural equation modeling (MASEM) based on a database of…

  13. Making Ordered DNA and Protein Structures from Computer-Printed Transparency Film Cut-Outs

    ERIC Educational Resources Information Center

    Jittivadhna, Karnyupha; Ruenwongsa, Pintip; Panijpan, Bhinyo

    2009-01-01

    Instructions are given for building physical scale models of ordered structures of B-form DNA, protein [alpha]-helix, and parallel and antiparallel protein [beta]-pleated sheets made from colored computer printouts designed for transparency film sheets. Cut-outs from these sheets are easily assembled. Conventional color coding for atoms are used…

  14. Orthogonal Higher Order Structure of the WISC-IV Spanish Using Hierarchical Exploratory Factor Analytic Procedures

    ERIC Educational Resources Information Center

    McGill, Ryan J.; Canivez, Gary L.

    2016-01-01

    As recommended by Carroll, the present study examined the factor structure of the Wechsler Intelligence Scale for Children-Fourth Edition Spanish (WISC-IV Spanish) normative sample using higher order exploratory factor analytic techniques not included in the WISC-IV Spanish Technical Manual. Results indicated that the WISC-IV Spanish subtests were…

  15. Structural Order in Water: Comparison between the Spectral Analysis of Raman Data and Molecular Dynamics Results

    NASA Astrophysics Data System (ADS)

    Faginas Lago, N.; Paolantoni, M.; Laganá, A.; Alberti, M.

    2007-12-01

    We utilize molecular dynamics calculations performed using the DL_POLY suite of programs to test the validity of two popular water interaction models and to better understand the structural order of its liquid phase by comparing calculated properties with the Raman spectrum.

  16. Characterization of the 1st and 2nd EF-hands of NADPH oxidase 5 by fluorescence, isothermal titration calorimetry, and circular dichroism

    PubMed Central

    2012-01-01

    Background Superoxide generated by non-phagocytic NADPH oxidases (NOXs) is of growing importance for physiology and pathobiology. The calcium binding domain (CaBD) of NOX5 contains four EF-hands, each binding one calcium ion. To better understand the metal binding properties of the 1st and 2nd EF-hands, we characterized the N-terminal half of CaBD (NCaBD) and its calcium-binding knockout mutants. Results The isothermal titration calorimetry measurement for NCaBD reveals that the calcium binding of two EF-hands are loosely associated with each other and can be treated as independent binding events. However, the Ca2+ binding studies on NCaBD(E31Q) and NCaBD(E63Q) showed their binding constants to be 6.5 × 105 and 5.0 × 102 M-1 with ΔHs of -14 and -4 kJ/mol, respectively, suggesting that intrinsic calcium binding for the 1st non-canonical EF-hand is largely enhanced by the binding of Ca2+ to the 2nd canonical EF-hand. The fluorescence quenching and CD spectra support a conformational change upon Ca2+ binding, which changes Trp residues toward a more non-polar and exposed environment and also increases its α-helix secondary structure content. All measurements exclude Mg2+-binding in NCaBD. Conclusions We demonstrated that the 1st non-canonical EF-hand of NOX5 has very weak Ca2+ binding affinity compared with the 2nd canonical EF-hand. Both EF-hands interact with each other in a cooperative manner to enhance their Ca2+ binding affinity. Our characterization reveals that the two EF-hands in the N-terminal NOX5 are Ca2+ specific. Graphical abstract PMID:22490336

  17. Magnetic Structure and Quadrupolar Order Parameter Driven by Geometrical Frustration Effect in NdB4

    NASA Astrophysics Data System (ADS)

    Yamauchi, Hiroki; Metoki, Naoto; Watanuki, Ryuta; Suzuki, Kazuya; Fukazawa, Hiroshi; Chi, Songxue; Fernandez-Baca, Jaime A.

    2017-04-01

    Neutron diffraction experiments have been carried out to characterize the magnetic structures and order parameters in an intermediate phase of NdB4 showing the successive phase transitions at T0 = 17.2 K, TN1 = 7.0 K, and TN2 = 4.8 K. We have revealed the antiferromagnetic ordering with the propagation vectors q0 = (0,0,0), q0 and qs1 = (δ ,δ ,0.4) (δ ˜ 0.14), and q0 and qs2 = (0.2,0,0.4) in phase II (TN1 < T < T0), phase III (TN2 < T < TN1), and phase IV (T < TN2), respectively. The observed patterns in phase II are successfully explained by postulating a coplanar structure with static magnetic moments in the tetragonal ab-plane. We have found that the magnetic structure in phase II can be uniquely determined to be a linear combination of antiferromagnetic "all-in/all-out"-type (Γ4) and "vortex"-type (Γ2) structures, consisting of a Γ4 main component (77%) with a small amplitude of Γ2 (23%). We propose that the quadrupolar interaction holds the key to stabilizing the noncollinear magnetic structure and quadrupolar order. Here, the frustration in the Shastry-Sutherland lattice would play an essential role in suppressing the dominance of the magnetic interaction.

  18. Formation of ordered mesoporous films from in situ structure inversion of azo polymer colloidal arrays.

    PubMed

    Li, Yaobang; Tong, Xiaolan; He, Yaning; Wang, Xiaogong

    2006-02-22

    This work shows that mesoporous polymeric films with spherical and elliptical pores can be obtained by in situ structure inversion of the azo polymer colloid arrays through selective interaction with solvent. The epoxy-based azo polymer contained both the pseudo-stilbene-type azo chromophores and the hydrophilic carboxyl groups. The colloidal spheres of the azo polymer were prepared by gradual hydrophobic aggregation of the polymeric chains in THF-H2O media, induced by a steady increase in the water content. Ordered 2D arrays of the hexagonally close-packed colloidal spheres were obtained by the vertical deposition method. After the solvent (THF) annealing, the ordered 2D arrays were directly transformed to mesoporous films through the sphere-pore inversion. Under the same condition, the 2D arrays composed of the ellipsoidal colloids, which were obtained by the irradiation of a polarized Ar+ laser beam on the colloidal sphere arrays, could be transformed to films with ordered elliptical pores. To our knowledge, this is the first example to demonstrate that mesoporous structures can be directly formed from the colloidal arrays of a homopolymer through structure inversion. This observation can shed new light on the nature of self-assembly processes and provide a feasible approach to fabricate mesoporous structures without the infiltration-removal step. By exploring the photoresponsive properties of the materials, mesoporous film with special pore structure and properties can be expected.

  19. A novel 2nd-order bandpass MFSS filter with miniaturized structure

    NASA Astrophysics Data System (ADS)

    Fang, C. Y.; Gao, J. S.; Feng, X. G.

    2015-08-01

    In order to effectively obtain a miniaturized structure and good filtering properties, we propose a novel 2nd-order bandpass metamaterial frequency selective surface (MFSS) filter which contains two capacitive layers and one inductive layer, where there are multi-loop metallic patches as shunt capacitor C and planar wire grids as series inductor L respectively. Unlike the traditional operation way—the tuned elements used in resonant surface approximately equal to one wavelength in circumference and the structure thickness with a spacing of a quarter wavelength apart, by changing the value of L and C and matching multilayer dielectric to adjust the LC coupling resonance and the resonance impedance respectively, the proposed MFSS filter can achieves a miniatured structure with ideal bandpass properties. Measurement results of the fabricated prototype of the bandpass filter (BPF) indicate that the dimension of the tuned element on resonant surface is approximately 0.025 wavelength, i.e., 0.025λ. At the same time, the filter has the stable center frequency of f0 = 1.53GHz and the transmittance of T ⩾ 96.3% and high Q-value for the TE/TM wave polarization at various incidence angles. The novel 2nd-order bandpass MFSS filter with miniaturized structure not only can decrease structure dimension, but also has a wide range of applications to microwave and infrared band.

  20. Medium range order and structural relaxation in As–Se network glasses through FSDP analysis

    SciTech Connect

    Golovchak, R.; Lucas, P.; Oelgoetz, J.; Kovalskiy, A.; York-Winegar, J.; Saiyasombat, Ch.; Shpotyuk, O.; Feygenson, M.; Neuefeind, J.; Jain, H.

    2015-03-01

    Synchrotron X-ray diffraction and neutron scattering studies are performed on As–Se glasses in two states: as-prepared (rejuvenated) and aged for ~27 years. The first sharp diffraction peak (FSDP) obtained from the structure factor data as a function of composition and temperature indicates that the cooperative processes that are responsible for structural relaxation do not affect FSDP. The results are correlated with the composition dependence of the complex heat capacity of the glasses and concentration of different structural fragments in the glass network. The comparison of structural information shows that density fluctuations, which were thought previously to have a significant contribution to FSDP, have much smaller effect than the cation–cation correlations, presence of ordered structural fragments or cage molecules.

  1. Ordered macroporous platinum electrode and enhanced mass transfer in fuel cells using inverse opal structure.

    PubMed

    Kim, Ok-Hee; Cho, Yong-Hun; Kang, Soon Hyung; Park, Hee-Young; Kim, Minhyoung; Lim, Ju Wan; Chung, Dong Young; Lee, Myeong Jae; Choe, Heeman; Sung, Yung-Eun

    2013-01-01

    Three-dimensional, ordered macroporous materials such as inverse opal structures are attractive materials for various applications in electrochemical devices because of the benefits derived from their periodic structures: relatively large surface areas, large voidage, low tortuosity and interconnected macropores. However, a direct application of an inverse opal structure in membrane electrode assemblies has been considered impractical because of the limitations in fabrication routes including an unsuitable substrate. Here we report the demonstration of a single cell that maintains an inverse opal structure entirely within a membrane electrode assembly. Compared with the conventional catalyst slurry, an ink-based assembly, this modified assembly has a robust and integrated configuration of catalyst layers; therefore, the loss of catalyst particles can be minimized. Furthermore, the inverse-opal-structure electrode maintains an effective porosity, an enhanced performance, as well as an improved mass transfer and more effective water management, owing to its morphological advantages.

  2. Medium range order and structural relaxation in As–Se network glasses through FSDP analysis

    SciTech Connect

    Golovchak, R.; Lucas, P.; Oelgoetz, J.; Kovalskiy, A.; York-Winegar, J.; Saiyasombat, Ch; Shpotyuk, O.; Feygenson, M.; Neuefeind, J.; Jain, H.

    2015-01-13

    We performed synchrotron X-ray diffraction and neutron scattering studies on As-Se glasses in two states: as-prepared (rejuvenated) and aged for similar to 27 years. The first sharp diffraction peak (FSDP) obtained from the structure factor data as a function of composition and temperature indicates that the cooperative processes that are responsible for structural relaxation do not affect FSDP. The results are correlated with the composition dependence of the complex heat capacity of the glasses and concentration of different structural fragments in the glass network. Furthermore, the comparison of structural information shows that density fluctuations, which were thought previously to have a significant contribution to FSDP, have much smaller effect than the cation-cation correlations, presence of ordered structural fragments or cage molecules.

  3. Medium range order and structural relaxation in As–Se network glasses through FSDP analysis

    DOE PAGES

    Golovchak, R.; Lucas, P.; Oelgoetz, J.; ...

    2015-01-13

    We performed synchrotron X-ray diffraction and neutron scattering studies on As-Se glasses in two states: as-prepared (rejuvenated) and aged for similar to 27 years. The first sharp diffraction peak (FSDP) obtained from the structure factor data as a function of composition and temperature indicates that the cooperative processes that are responsible for structural relaxation do not affect FSDP. The results are correlated with the composition dependence of the complex heat capacity of the glasses and concentration of different structural fragments in the glass network. Furthermore, the comparison of structural information shows that density fluctuations, which were thought previously to havemore » a significant contribution to FSDP, have much smaller effect than the cation-cation correlations, presence of ordered structural fragments or cage molecules.« less

  4. Atomic-Resolution Kinked Structure of an Alkylporphyrin on Highly Ordered Pyrolytic Graphite.

    PubMed

    Chin, Yiing; Panduwinata, Dwi; Sintic, Maxine; Sum, Tze Jing; Hush, Noel S; Crossley, Maxwell J; Reimers, Jeffrey R

    2011-01-20

    The atomic structure of the chains of an alkyl porphyrin (5,10,15,20-tetranonadecylporphyrin) self-assembled monolayer (SAM) at the solid/liquid interface of highly ordered pyrolytic graphite (HOPG) and 1-phenyloctane is resolved using calibrated scanning tunneling microscopy (STM), density functional theory (DFT) image simulations, and ONIOM-based geometry optimizations. While atomic structures are often readily determined for porphyrin SAMs, the determination of the structure of alkyl-chain connections has not previously been possible. A graphical calibration procedure is introduced, allowing accurate observation of SAM lattice parameters, and, of the many possible atomic structures modeled, only the lowest-energy structure obtained was found to predict the observed lattice parameters and image topography. Hydrogen atoms are shown to provide the conduit for the tunneling current through the alkyl chains.

  5. The higher order factor structure and gender invariance of the Pathological Narcissism Inventory.

    PubMed

    Wright, Aidan G C; Lukowitsky, Mark R; Pincus, Aaron L; Conroy, David E

    2010-12-01

    The Pathological Narcissism Inventory (PNI) is a recently developed multidimensional inventory for the assessment of pathological narcissism. The authors describe and report the results of two studies that investigate the higher order factor structure and gender invariance of the PNI. The results of the first study indicate that the PNI has a higher order factor structure that conforms to the theoretical structure of pathological narcissism with one factor representing narcissistic grandiosity and the other capturing narcissistic vulnerability. These results uniquely place the PNI as the only measure to broadly assess the two phenotypic themes of pathological narcissism. In the second study, results from tests of measurement invariance indicate that the PNI performs similarly in large samples of men (n = 488) and women (n = 495). These results further establish the psychometric properties of the PNI and suggest that it is well suited for the assessment of pathological narcissism.

  6. The post-mitotic state in neurons correlates with a stable nuclear higher-order structure

    PubMed Central

    Aranda-Anzaldo, Armando

    2012-01-01

    Neurons become terminally differentiated (TD) post-mitotic cells very early during development yet they may remain alive and functional for decades. TD neurons preserve the molecular machinery necessary for DNA synthesis that may be reactivated by different stimuli but they never complete a successful mitosis. The non-reversible nature of the post-mitotic state in neurons suggests a non-genetic basis for it since no set of mutations has been able to revert it. Comparative studies of the nuclear higher-order structure in neurons and cells with proliferating potential suggest that the non-reversible nature of the post-mitotic state in neurons has a structural basis in the stability of the nuclear higher-order structure. PMID:22808316

  7. Persistent homology and many-body atomic structure for medium-range order in the glass

    NASA Astrophysics Data System (ADS)

    Nakamura, Takenobu; Hiraoka, Yasuaki; Hirata, Akihiko; Escolar, Emerson G.; Nishiura, Yasumasa

    2015-07-01

    The characterization of the medium-range (MRO) order in amorphous materials and its relation to the short-range order is discussed. A new topological approach to extract a hierarchical structure of amorphous materials is presented, which is robust against small perturbations and allows us to distinguish it from periodic or random configurations. This method is called the persistence diagram (PD) and introduces scales to many-body atomic structures to facilitate size and shape characterization. We first illustrate the representation of perfect crystalline and random structures in PDs. Then, the MRO in amorphous silica is characterized using the appropriate PD. The PD approach compresses the size of the data set significantly, to much smaller geometrical summaries, and has considerable potential for application to a wide range of materials, including complex molecular liquids, granular materials, and metallic glasses.

  8. Calibration of aero-structural reduced order models using full-field experimental measurements

    NASA Astrophysics Data System (ADS)

    Perez, R.; Bartram, G.; Beberniss, T.; Wiebe, R.; Spottswood, S. M.

    2017-03-01

    The structural response of hypersonic aircraft panels is a multi-disciplinary problem, where the nonlinear structural dynamics, aerodynamics, and heat transfer models are coupled. A clear understanding of the impact of high-speed flow effects on the structural response, and the potential influence of the structure on the local environment, is needed in order to prevent the design of overly-conservative structures, a common problem in past hypersonic programs. The current work investigates these challenges from a structures perspective. To this end, the first part of this investigation looks at the modeling of the response of a rectangular panel to an external heating source (thermo-structural coupling) where the temperature effect on the structure is obtained from forward looking infrared (FLIR) measurements and the displacement via 3D-digital image correlation (DIC). The second part of the study uses data from a previous series of wind-tunnel experiments, performed to investigate the response of a compliant panel to the effects of high-speed flow, to train a pressure surrogate model. In this case, the panel aero-loading is obtained from fast-response pressure sensitive paint (PSP) measurements, both directly and from the pressure surrogate model. The result of this investigation is the use of full-field experimental measurements to update the structural model and train a computational efficient model of the loading environment. The use of reduced order models, informed by these full-field physical measurements, is a significant step toward the development of accurate simulation models of complex structures that are computationally tractable.

  9. OPTICON: Pro-Matlab software for large order controlled structure design

    NASA Technical Reports Server (NTRS)

    Peterson, Lee D.

    1989-01-01

    A software package for large order controlled structure design is described and demonstrated. The primary program, called OPTICAN, uses both Pro-Matlab M-file routines and selected compiled FORTRAN routines linked into the Pro-Matlab structure. The program accepts structural model information in the form of state-space matrices and performs three basic design functions on the model: (1) open loop analyses; (2) closed loop reduced order controller synthesis; and (3) closed loop stability and performance assessment. The current controller synthesis methods which were implemented in this software are based on the Generalized Linear Quadratic Gaussian theory of Bernstein. In particular, a reduced order Optimal Projection synthesis algorithm based on a homotopy solution method was successfully applied to an experimental truss structure using a 58-state dynamic model. These results are presented and discussed. Current plans to expand the practical size of the design model to several hundred states and the intention to interface Pro-Matlab to a supercomputing environment are discussed.

  10. Compression of ultra-short pulses due to cascaded second order nonlinearities in photonic bandgap structures

    NASA Astrophysics Data System (ADS)

    Joseph, Shereena; Shahid Khan, Mohd.; Hafiz, Aurangzeb Khurram

    2016-03-01

    The cascaded second order nonlinearities in a 1-D photonic bandgap structure (1-D PBG) in the spectral domain have been explored. A weak signal pulse operating at frequency of interest is seeded with a strong pulse operating at its second harmonic (SH) frequency. The interaction of both pulses in the periodic structure takes place with a particular phase mismatch condition. The intensity of SH pulse controls the propagation of signal pulse and the signal pulse exhibits pulse compression at particular input SH intensity. Considering the parameter for GaInP/InAlP PBG structure we have demonstrated pulse compression from 290 fs to 155 fs. The dependency of pulse compression on the structural parameters, group velocity mismatch, group velocity dispersion and input intensity of pump has also been explored.

  11. Design of sensor networks for instantaneous inversion of modally reduced order models in structural dynamics

    NASA Astrophysics Data System (ADS)

    Maes, K.; Lourens, E.; Van Nimmen, K.; Reynders, E.; De Roeck, G.; Lombaert, G.

    2015-02-01

    In structural dynamics, the forces acting on a structure are often not well known. System inversion techniques may be used to estimate these forces from the measured response of the structure. This paper first derives conditions for the invertibility of linear system models that apply to any instantaneous input estimation or joint input-state estimation algorithm. The conditions ensure the identifiability of the dynamic forces and system states, their stability and uniqueness. The present paper considers the specific case of modally reduced order models, which are generally obtained from a physical, finite element model, or from experimental data. It is shown how in this case the conditions can be directly expressed in terms of the modal properties of the structure. A distinction is made between input estimation and joint input-state estimation. Each of the conditions is illustrated by a conceptual example. The practical implementation is discussed for a case study where a sensor network for a footbridge is designed.

  12. Competing ordered structures formed by particles with a regular tetrahedral patch decoration.

    PubMed

    Doppelbauer, Günther; Noya, Eva G; Bianchi, Emanuela; Kahl, Gerhard

    2012-07-18

    We study the ordered equilibrium structures of patchy particles where the patches are located on the surface of the colloid such that they form a regular tetrahedron. Using optimization techniques based on ideas of evolutionary algorithms we identify possible candidate structures. We retain not only the energetically most favourable lattices but also include a few energetically less favourable particle arrangements (i.e., local minima on the enthalpy landscape). Using suitably developed Monte Carlo based simulation techniques in an NPT ensemble we evaluate the thermodynamic properties of these candidate structures along selected isobars and isotherms and identify thereby the respective ranges of stability. We demonstrate on a quantitative level that the equilibrium structures at a given state point result from a delicate compromise between entropy, energy (i.e., the lattice sum) and packing.

  13. Discrete Kalman filtering equations of second-order form for control-structure interaction simulations

    NASA Technical Reports Server (NTRS)

    Park, K. C.; Alvin, K. F.; Belvin, W. Keith

    1991-01-01

    A second-order form of discrete Kalman filtering equations is proposed as a candidate state estimator for efficient simulations of control-structure interactions in coupled physical coordinate configurations as opposed to decoupled modal coordinates. The resulting matrix equation of the present state estimator consists of the same symmetric, sparse N x N coupled matrices of the governing structural dynamics equations as opposed to unsymmetric 2N x 2N state space-based estimators. Thus, in addition to substantial computational efficiency improvement, the present estimator can be applied to control-structure design optimization for which the physical coordinates associated with the mass, damping and stiffness matrices of the structure are needed instead of modal coordinates.

  14. Electronic transitions induced by short-range structural order in amorphous TiO2

    NASA Astrophysics Data System (ADS)

    Triana, C. A.; Araujo, C. Moyses; Ahuja, R.; Niklasson, G. A.; Edvinsson, T.

    2016-10-01

    Several promising applications of amorphous titanium dioxide, a TiO2 , have appeared recently, but the correlation between electronic properties and atomic short-range structural order is poorly understood. Herein we show that structural disorder yields local undercoordinated TiOx units which influence electronic hybridization of Ti-[4 p ] and Ti-[3 d ] orbitals with a low crystal-field splitting [E (eg) -E (t2 g) =2.4 ±0.3 eV ] . The short-range order and electronic properties of a TiO2 thin-film oxides are described through an integrated approach based on x-ray-absorption experiments and ab initio computational simulations where the energy splitting of the electronic levels in the Ti-[4 p -3 d ] manifold are analyzed. Structural disorder provides enough p -d orbital mixing for the hybridized electronic transitions from the Ti-[1 s ] core level into the [Ti -t2 g] and [Ti -eg] bands [1 s →4 p -3 d excitations], to be allowed. This yields an intense pre-edge structure in the Ti K -edge x-ray-absorption near-edge structure spectrum of a TiO2 , which is consistent with the projected density of states on the photoabsorbing Ti atoms.

  15. Tunable zeroth-order resonator based on a ferrite metamaterial structure

    NASA Astrophysics Data System (ADS)

    Javad, Ghalibafan; Nader, Komjani

    2013-10-01

    This paper proposes a tunable zeroth-order resonator on a composite right/left-handed transmission line consisting of a transversely magnetized ferrite substrate periodically loaded by microstrip inductors. Based on the propagation theory of edge guided modes, the analysis procedure of this structure is introduced. The numerical results demonstrate the tunability of the resonant frequency by changing the DC bias magnetic field applied to the ferrite. In contrast to previous work, the proposed structure is easy to design and fabricate and does not require a chip component.

  16. The possibility of ordering the structure of a granular catalyst bed

    SciTech Connect

    Adinberg, R.Z.; Dil'man, V.V; Ivanov, V.M.

    1986-05-01

    If the container in which a regular packed structure of spheres has formed is vigorously shaken to raise the spheres above the matrix, the packing structure will no longer be ordered after the spheres settle. This fact shows how necessary it is to regulate the loading and account for the relaxation time of a particular system. These results open up the real possibility of obtaining regularly packed granular beds within industrial reactors. Depending on the practical problem to be solved, the close-packed planes of a packing can be assigned different spatial orientations. Definite specifications for shape and particle strength, particle size distribution, container geometry, and loading conditions can be proposed.

  17. Sampling the structure and chemical order in assemblies of ferromagnetic nanoparticles by nuclear magnetic resonance

    NASA Astrophysics Data System (ADS)

    Liu, Yuefeng; Luo, Jingjie; Shin, Yooleemi; Moldovan, Simona; Ersen, Ovidiu; Hébraud, Anne; Schlatter, Guy; Pham-Huu, Cuong; Meny, Christian

    2016-05-01

    Assemblies of nanoparticles are studied in many research fields from physics to medicine. However, as it is often difficult to produce mono-dispersed particles, investigating the key parameters enhancing their efficiency is blurred by wide size distributions. Indeed, near-field methods analyse a part of the sample that might not be representative of the full size distribution and macroscopic methods give average information including all particle sizes. Here, we introduce temperature differential ferromagnetic nuclear resonance spectra that allow sampling the crystallographic structure, the chemical composition and the chemical order of non-interacting ferromagnetic nanoparticles for specific size ranges within their size distribution. The method is applied to cobalt nanoparticles for catalysis and allows extracting the size effect from the crystallographic structure effect on their catalytic activity. It also allows sampling of the chemical composition and chemical order within the size distribution of alloyed nanoparticles and can thus be useful in many research fields.

  18. Sampling the structure and chemical order in assemblies of ferromagnetic nanoparticles by nuclear magnetic resonance

    PubMed Central

    Liu, Yuefeng; Luo, Jingjie; Shin, Yooleemi; Moldovan, Simona; Ersen, Ovidiu; Hébraud, Anne; Schlatter, Guy; Pham-Huu, Cuong; Meny, Christian

    2016-01-01

    Assemblies of nanoparticles are studied in many research fields from physics to medicine. However, as it is often difficult to produce mono-dispersed particles, investigating the key parameters enhancing their efficiency is blurred by wide size distributions. Indeed, near-field methods analyse a part of the sample that might not be representative of the full size distribution and macroscopic methods give average information including all particle sizes. Here, we introduce temperature differential ferromagnetic nuclear resonance spectra that allow sampling the crystallographic structure, the chemical composition and the chemical order of non-interacting ferromagnetic nanoparticles for specific size ranges within their size distribution. The method is applied to cobalt nanoparticles for catalysis and allows extracting the size effect from the crystallographic structure effect on their catalytic activity. It also allows sampling of the chemical composition and chemical order within the size distribution of alloyed nanoparticles and can thus be useful in many research fields. PMID:27156575

  19. Novel Cooperative Interactions and Structural Ordering in H[subscript 2]S-H[subscript 2

    SciTech Connect

    Strobel, Timothy A.; Ganesh, P.; Somayazulu, Maddury; Kent, P.R.C.; Hemley, Russell J.

    2012-02-07

    Hydrogen sulfide (H{sub 2}S) and hydrogen (H{sub 2}) crystallize into a 'guest-host' structure at 3.5 GPa and, at the initial formation pressure, the rotationally disordered component molecules exhibit weak van der Waals-type interactions. With increasing pressure, hydrogen bonding develops and strengthens between neighboring H{sub 2}S molecules, reflected in a pronounced drop in S-H vibrational stretching frequency and also observed in first-principles calculations. At 17 GPa, an ordering process occurs where H{sub 2}S molecules orient themselves to maximize hydrogen bonding and H{sub 2} molecules simultaneously occupy a chemically distinct lattice site. Intermolecular forces in the H{sub 2}S+H{sub 2} system may be tuned with pressure from the weak hydrogen-bonding limit to the ordered hydrogen-bonding regime, resulting in a novel clathrate structure stabilized by cooperative interactions.

  20. Novel cooperative interactions and structural ordering in H2S-H2

    SciTech Connect

    Kent, Paul R

    2011-01-01

    Hydrogen sulfide (H2S) and hydrogen (H2) crystallize into a 'guest-host' structure at 3.5 GPa and, at the initial formation pressure, the rotationally disordered component molecules exhibit weak van der Waals type interactions. With increasing pressure, hydrogen bonding develops and strengthens between neighboring H2S molecules, reflected in a pronounced drop in S-H vibrational stretching frequency and also observed in first-principles calculations. At 17 GPa, an ordering process occurs where H2S molecules orient themselves to maximize hydrogen bonding and H2 molecules simultaneously occupy a chemically distinct lattice site. Intermolecular forces in the H2S+H2 system may be tuned with pressure from the weak hydrogen-bonding limit to the ordered hydrogen-bonding regime, resulting in a novel clathrate structure stabilized by cooperative interactions.

  1. Simultaneous silence organizes structured higher-order interactions in neural populations

    PubMed Central

    Shimazaki, Hideaki; Sadeghi, Kolia; Ishikawa, Tomoe; Ikegaya, Yuji; Toyoizumi, Taro

    2015-01-01

    Activity patterns of neural population are constrained by underlying biological mechanisms. These patterns are characterized not only by individual activity rates and pairwise correlations but also by statistical dependencies among groups of neurons larger than two, known as higher-order interactions (HOIs). While HOIs are ubiquitous in neural activity, primary characteristics of HOIs remain unknown. Here, we report that simultaneous silence (SS) of neurons concisely summarizes neural HOIs. Spontaneously active neurons in cultured hippocampal slices express SS that is more frequent than predicted by their individual activity rates and pairwise correlations. The SS explains structured HOIs seen in the data, namely, alternating signs at successive interaction orders. Inhibitory neurons are necessary to maintain significant SS. The structured HOIs predicted by SS were observed in a simple neural population model characterized by spiking nonlinearity and correlated input. These results suggest that SS is a ubiquitous feature of HOIs that constrain neural activity patterns and can influence information processing. PMID:25919985

  2. Effect of nematic ordering on electronic structure of FeSe

    PubMed Central

    Fedorov, A.; Yaresko, A.; Kim, T. K.; Kushnirenko, Y.; Haubold, E.; Wolf, T.; Hoesch, M.; Grüneis, A.; Büchner, B.; Borisenko, S. V.

    2016-01-01

    Electronically driven nematic order is often considered as an essential ingredient of high-temperature superconductivity. Its elusive nature in iron-based superconductors resulted in a controversy not only as regards its origin but also as to the degree of its influence on the electronic structure even in the simplest representative material FeSe. Here we utilized angle-resolved photoemission spectroscopy and density functional theory calculations to study the influence of the nematic order on the electronic structure of FeSe and determine its exact energy and momentum scales. Our results strongly suggest that the nematicity in FeSe is electronically driven, we resolve the recent controversy and provide the necessary quantitative experimental basis for a successful theory of superconductivity in iron-based materials which takes into account both, spin-orbit interaction and electronic nematicity. PMID:27830747

  3. Effect of nematic ordering on electronic structure of FeSe

    NASA Astrophysics Data System (ADS)

    Fedorov, A.; Yaresko, A.; Kim, T. K.; Kushnirenko, Y.; Haubold, E.; Wolf, T.; Hoesch, M.; Grüneis, A.; Büchner, B.; Borisenko, S. V.

    2016-11-01

    Electronically driven nematic order is often considered as an essential ingredient of high-temperature superconductivity. Its elusive nature in iron-based superconductors resulted in a controversy not only as regards its origin but also as to the degree of its influence on the electronic structure even in the simplest representative material FeSe. Here we utilized angle-resolved photoemission spectroscopy and density functional theory calculations to study the influence of the nematic order on the electronic structure of FeSe and determine its exact energy and momentum scales. Our results strongly suggest that the nematicity in FeSe is electronically driven, we resolve the recent controversy and provide the necessary quantitative experimental basis for a successful theory of superconductivity in iron-based materials which takes into account both, spin-orbit interaction and electronic nematicity.

  4. Static and dynamic structures of spherical nonionic surfactant micelles during the disorder-order transition.

    PubMed

    Imai, M; Yoshida, I; Iwaki, T; Nakaya, K

    2005-01-22

    We have investigated the static and dynamic structures of nonionic surfactant micelles, a C(12)E(8)/water binary system, during the disorder-order transition using small angle x-ray scattering, static light scattering, and dynamic light scattering techniques. In the disordered phase, the micelles have spherical shape and intermicellar interactions are governed by the hard core and weak long ranged attractive potentials. With increase of the micellar concentration, the disordered micelles transform to the three characteristic ordered micellar phases, a hexagonally close packed lattice, a body centered cubic lattice, and an A15 lattice having area-minimizing structure. The stability of these phases is well explained by balance of a close packing rule and a minimal-area rule proposed by Ziherl and Kamien [Phys. Rev. Lett. 85, 3528 (2000)]. The role of hydrodynamic interactions in surfactant micellar solutions was compared with that in hard sphere colloidal particle suspensions.

  5. A reduced order model for fluid-structure interaction of thin shell structures conveying fluid for physiological applications

    NASA Astrophysics Data System (ADS)

    Chang, Gary Han; Modarres-Sadeghi, Yahya

    2015-11-01

    In this work, a reduced-order model (ROM) is constructed to study fluid-structure interaction of thin shell structures conveying fluid. The method of snapshot Proper Orthogonal Decomposition (POD) is used to construct the reduced-order bases based on a series of CFD results, which then are improved using a QR-factorization technique to satisfy the various boundary conditions in physiological flow problems. In the process, two sets of POD modes are extracted: those due to the shell wall's motion and those due to the pulsatile flow. The Modal Assurance Criterion (MAC) technique is used for selecting the final POD modes used in the reduced-order model. The structure model is solved by Galerkin's method and the FSI coupling is done by adapting a coupled momentum method. The results show that the dynamic behavior of thin shells conveying fluid is closely related to the distribution of the shell's Gaussian curvature, the existence of imperfections and the physiological flow conditions. This method can effectively construct a computationally efficient FSI model, which allows us to examine a wide range of parameters which exist in real-life physiological problems.

  6. Ordered ferrimagnetic form of ferrihydrite reveals links among structure, composition, and magnetism

    PubMed Central

    Michel, F. Marc; Barrón, Vidal; Torrent, José; Morales, María P.; Serna, Carlos J.; Boily, Jean-François; Liu, Qingsong; Ambrosini, Andrea; Cismasu, A. Cristina; Brown, Gordon E.

    2010-01-01

    The natural nanomineral ferrihydrite is an important component of many environmental and soil systems and has been implicated as the inorganic core of ferritin in biological systems. Knowledge of its basic structure, composition, and extent of structural disorder is essential for understanding its reactivity, stability, and magnetic behavior, as well as changes in these properties during aging. Here we investigate compositional, structural, and magnetic changes that occur upon aging of “2-line” ferrihydrite in the presence of adsorbed citrate at elevated temperature. Whereas aging under these conditions ultimately results in the formation of hematite, analysis of the atomic pair distribution function and complementary physicochemical and magnetic data indicate formation of an intermediate ferrihydrite phase of larger particle size with few defects, more structural relaxation and electron spin ordering, and pronounced ferrimagnetism relative to its disordered ferrihydrite precursor. Our results represent an important conceptual advance in understanding the nature of structural disorder in ferrihydrite and its relation to the magnetic structure and also serve to validate a controversial, recently proposed structural model for this phase. In addition, the pathway we identify for forming ferrimagnetic ferrihydrite potentially explains the magnetic enhancement that typically precedes formation of hematite in aerobic soil and weathering environments. Such magnetic enhancement has been attributed to the formation of poorly understood, nano-sized ferrimagnets from a ferrihydrite precursor. Whereas elevated temperatures drive the transformation on timescales feasible for laboratory studies, our results also suggest that ferrimagnetic ferrihydrite could form naturally at ambient temperature given sufficient time. PMID:20133643

  7. Ordered ferrimagnetic form of ferrihydrite reveals links among structure, composition, and magnetism.

    PubMed

    Michel, F Marc; Barrón, Vidal; Torrent, José; Morales, María P; Serna, Carlos J; Boily, Jean-François; Liu, Qingsong; Ambrosini, Andrea; Cismasu, A Cristina; Brown, Gordon E

    2010-02-16

    The natural nanomineral ferrihydrite is an important component of many environmental and soil systems and has been implicated as the inorganic core of ferritin in biological systems. Knowledge of its basic structure, composition, and extent of structural disorder is essential for understanding its reactivity, stability, and magnetic behavior, as well as changes in these properties during aging. Here we investigate compositional, structural, and magnetic changes that occur upon aging of "2-line" ferrihydrite in the presence of adsorbed citrate at elevated temperature. Whereas aging under these conditions ultimately results in the formation of hematite, analysis of the atomic pair distribution function and complementary physicochemical and magnetic data indicate formation of an intermediate ferrihydrite phase of larger particle size with few defects, more structural relaxation and electron spin ordering, and pronounced ferrimagnetism relative to its disordered ferrihydrite precursor. Our results represent an important conceptual advance in understanding the nature of structural disorder in ferrihydrite and its relation to the magnetic structure and also serve to validate a controversial, recently proposed structural model for this phase. In addition, the pathway we identify for forming ferrimagnetic ferrihydrite potentially explains the magnetic enhancement that typically precedes formation of hematite in aerobic soil and weathering environments. Such magnetic enhancement has been attributed to the formation of poorly understood, nano-sized ferrimagnets from a ferrihydrite precursor. Whereas elevated temperatures drive the transformation on timescales feasible for laboratory studies, our results also suggest that ferrimagnetic ferrihydrite could form naturally at ambient temperature given sufficient time.

  8. Cooling rate dependence of structural order in Al90Sm10 metallic glass

    DOE PAGES

    Sun, Yang; Zhang, Yue; Zhang, Feng; ...

    2016-07-07

    Here, the atomic structure of Al90Sm10 metallic glass is studied using molecular dynamics simulations. By performing a long sub-Tg annealing, we developed a glass model closer to the experiments than the models prepared by continuous cooling. Using the cluster alignment method, we found that “3661” cluster is the dominating short-range order in the glass samples. The connection and arrangement of “3661” clusters, which define the medium-range order in the system, are enhanced significantly in the sub-Tg annealed sample as compared with the fast cooled glass samples. Unlike some strong binary glass formers such as Cu64.5Zr35.5, the clusters representing the short-rangemore » order do not form an interconnected interpenetrating network in Al90Sm10, which has only marginal glass formability.« less

  9. Local electronic structures in electron-doped cuprates with coexisting orders

    NASA Astrophysics Data System (ADS)

    Liu, Bin; Hu, Xiao

    2010-12-01

    Motivated by the observation of a so-called non-monotonic gap in recent angle-resolved photoemission spectroscopy measurement, we study the local electronic structure near impurities in electron-doped cuprates by considering the influence of antiferromagnetic (AF) spin-density-wave (SDW) order. We find that the evolution of density of states (DOS) with AF SDW order clearly indicates the non-monotonic d-wave gap behavior. More interestingly, the local DOS for spin-up is much different from that for spin-down with increasing AF SDW order. As a result, the impurity induced resonance state near the Fermi energy exhibits a spin-polarized feature. These features can be detected by spin-polarized scanning tunneling microscopy experiments.

  10. First order coupled dynamic model of flexible space structures with time-varying configurations

    NASA Astrophysics Data System (ADS)

    Wang, Jie; Li, Dongxu; Jiang, Jianping

    2017-03-01

    This paper proposes a first order coupled dynamic modeling method for flexible space structures with time-varying configurations for the purpose of deriving the characteristics of the system. The model considers the first time derivative of the coordinate transformation matrix between the platform's body frame and the appendage's floating frame. As a result it can accurately predict characteristics of the system even if flexible appendages rotate with complex trajectory relative to the rigid part. In general, flexible appendages are fixed on the rigid platform or forced to rotate with a slow angular velocity. So only the zero order of the transformation matrix is considered in conventional models. However, due to neglecting of time-varying terms of the transformation matrix, these models introduce severe error when appendages, like antennas, for example, rotate with a fast speed relative to the platform. The first order coupled dynamic model for flexible space structures proposed in this paper resolve this problem by introducing the first time derivative of the transformation matrix. As a numerical example, a central core with a rotating solar panel is considered and the results are compared with those given by the conventional model. It has been shown that the first order terms are of great importance on the attitude of the rigid body and dynamic response of the flexible appendage.

  11. Fractional Order Analysis of Sephadex Gel Structures: NMR Measurements Reflecting Anomalous Diffusion.

    PubMed

    Magin, Richard L; Akpa, Belinda S; Neuberger, Thomas; Webb, Andrew G

    2011-12-01

    We report the appearance of anomalous water diffusion in hydrophilic Sephadex gels observed using pulse field gradient (PFG) nuclear magnetic resonance (NMR). The NMR diffusion data was collected using a Varian 14.1 Tesla imaging system with a home-built RF saddle coil. A fractional order analysis of the data was used to characterize heterogeneity in the gels for the dynamics of water diffusion in this restricted environment. Several recent studies of anomalous diffusion have used the stretched exponential function to model the decay of the NMR signal, i.e., exp[-(bD)(α)], where D is the apparent diffusion constant, b is determined the experimental conditions (gradient pulse separation, durations and strength), and α is a measure of structural complexity. In this work, we consider a different case where the spatial Laplacian in the Bloch-Torrey equation is generalized to a fractional order model of diffusivity via a complexity parameter, β, a space constant, μ, and a diffusion coefficient, D. This treatment reverts to the classical result for the integer order case. The fractional order decay model was fit to the diffusion-weighted signal attenuation for a range of b-values (0 < b < 4,000 s-mm(-2)). Throughout this range of b values, the parameters β, μ and D, were found to correlate with the porosity and tortuosity of the gel structure.

  12. Structural responses of benthic macroinvertebrate communities from different stream orders to zinc

    SciTech Connect

    Kiffney, P.M.; Clements, W.H. . Dept. of Fishery and Wildlife Biology)

    1994-03-01

    It is well established that benthic invertebrate community structure and function shift in a predictable fashion along longitudinal stream gradients as a result of variation in environmental conditions. The authors research is concerned with experimentally testing whether this shift in community structure influences the response of benthic macroinvertebrates to heavy metals. Using artificial streams, they compared effects of Zn on natural assemblages of benthic macroinvertebrates communities collected from Little Beaver Creek (LBC; a third-order stream) and the Big South Fork of the Cache la Poudre, Colorado, catchment. Organisms collected from LBC and SFP were exposed to 0 or 130 [mu]g/L Zn in indoor experimental streams for 7 d. In general, similar taxa were found at both sites, but densities were generally higher at SFP than at LBC. They observed significant effects at the community and population level as a result of Zn, stream order, and the interaction between Zn and stream order. Specifically, mayflies from both sides were sensitive to Zn, but the magnitude of the response varied between sites. The results indicate that benthic macroinvertebrate communities from different stream order may vary in sensitivity to Zn.

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

    PubMed Central

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

    2016-01-01

    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. PMID:27196938

  14. Transitions between imperfectly ordered crystalline structures: a phase switch Monte Carlo study.

    PubMed

    Wilms, Dorothea; Wilding, Nigel B; Binder, Kurt

    2012-05-01

    A model for two-dimensional colloids confined laterally by "structured boundaries" (i.e., ones that impose a periodicity along the slit) is studied by Monte Carlo simulations. When the distance D between the confining walls is reduced at constant particle number from an initial value D(0), for which a crystalline structure commensurate with the imposed periodicity fits, to smaller values, a succession of phase transitions to imperfectly ordered structures occur. These structures have a reduced number of rows parallel to the boundaries (from n to n-1 to n-2, etc.) and are accompanied by an almost periodic strain pattern, due to "soliton staircases" along the boundaries. Since standard simulation studies of such transitions are hampered by huge hysteresis effects, we apply the phase switch Monte Carlo method to estimate the free energy difference between the structures as a function of the misfit between D and D(0), thereby locating where the transitions occur in equilibrium. For comparison, we also obtain this free energy difference from a thermodynamic integration method: The results agree, but the effort required to obtain the same accuracy as provided by phase switch Monte Carlo would be at least three orders of magnitude larger. We also show for a situation where several "candidate structures" exist for a phase, that phase switch Monte Carlo can clearly distinguish the metastable structures from the stable one. Finally, applying the method in the conjugate statistical ensemble (where the normal pressure conjugate to D is taken as an independent control variable), we show that the standard equivalence between the conjugate ensembles of statistical mechanics is violated.

  15. Structural ordering of self-assembled clusters with competing interactions: transition from faceted to spherical clusters.

    PubMed

    Galván-Moya, J E; Nelissen, K; Peeters, F M

    2015-01-27

    The self-assembly of nanoparticles into clusters and the effect of the different parameters of the competing interaction potential on it are investigated. For a small number of particles, the structural organization of the clusters is almost unaffected by the attractive part of the potential, and for an intermediate number of particles the configuration strongly depends on the strength of it. The cluster size is controlled by the range of the interaction potential, and the structural arrangement is guided by the strength of the potential: i.e., the self-assembled cluster transforms from a faceted configuration at low strength to a spherical shell-like structure at high strength. Nonmonotonic behavior of the cluster size is found by increasing the interaction range. An approximate analytical expression is obtained that predicts the smallest cluster for a specific set of potential parameters. A Mendeleev-like table is constructed for different values of the strength and range of the attractive part of the potential in order to understand the structural ordering of the ground-state configuration of the self-assembled clusters.

  16. Structural Order and Thermodynamic Stability of Disordered Cu2ZnSnS4 Alloys

    NASA Astrophysics Data System (ADS)

    Siah, Sin Cheng; Jaramillo, Rafael; Erslev, Pete; Teeter, Glenn; Buonassisi, Tonio

    2014-03-01

    Crystalline kesterite Cu2ZnSnS4 (c-CZTS) thin films, of interest for photovoltaics, has a narrow window of thermodynamic stability and complex point defect chemistry. Hence, c-CZTS solar cells are thought to suffer from the effects of secondary phase segregation and further improvements in device efficiency may hinge on using kinetic stabilization to inhibit decomposition. By growing films at room temperature (T), we achieve a disordered (CuZnSn)S4 alloy with an expanded solid solution window in the pseudo-ternary CuS-ZnS-SnS phase diagram that allows independent tuning of bandgap and carrier concentration. We use extended x-ray absorption fine structure to quantify short range order, and x-ray absorption near edge structure to quantify phase segregation of this new alloy. X-ray diffraction is used to elucidate the long range structural order. We study the structural evolution of the alloy as a function of annealing temperature and see continuous evolution towards c-CZTS phase that is nearly complete at 450°C. Our results inform the fabrication of conventional c-CZTS solar cells by establishing the temperature range over which thin films transform from a kinetically stabilized, metastable phase to a thermodynamically stabilized, crystalline phase. A NextGenPVII grant from U.S. Department of Energy and a fellowship (S.C.S) from Singapore NRF are acknowledged.

  17. Well-ordered monolayers of alkali-doped coronene and picene: Molecular arrangements and electronic structures

    SciTech Connect

    Yano, M.; Endo, M.; Hasegawa, Y.; Okada, R.; Yamada, Y. Sasaki, M.

    2014-07-21

    Adsorptions of alkali metals (such as K and Li) on monolayers of coronene and picene realize the formation of ordered phases, which serve as well-defined model systems for metal-intercalated aromatic superconductors. Upon alkali-doping of the monolayers of coronene and picene, scanning tunneling microscopy and X-ray absorption spectroscopy revealed the rearrangement of the entire molecular layer. The K-induced reconstruction of both monolayers resulted in the formation of a structure with a herringbone-like arrangement of molecules, suggesting the intercalation of alkali metals between molecular planes. Upon reconstruction, a shift in both the vacuum level and core levels of coronene was observed as a result of a charge transfer from alkali metals to coronene. In addition, a new density of states near the Fermi level was formed in both the doped coronene and the doped picene monolayers. This characteristic electronic feature of the ordered monolayer has been also reported in the multilayer picene films, ensuring that the present monolayer can model the properties of the metal-intercalated aromatic hydrocarbons. It is suggested that the electronic structure near the Fermi level is sensitive to the molecular arrangement, and that both the strict control and determinations of the molecular structure in the doped phase should be important for the determination of the electronic structure of these materials.

  18. Structure determination of a partially ordered layered silicate material with an NMR crystallography approach.

    PubMed

    Brouwer, Darren Henry; Cadars, Sylvian; Hotke, Kathryn; Van Huizen, Jared; Van Huizen, Nicholas

    2017-03-01

    Structure determination of layered materials can present challenges for conventional diffraction methods due to the fact that such materials often lack full three-dimensional periodicity since adjacent layers may not stack in an orderly and regular fashion. In such cases, NMR crystallography strategies involving a combination of solid-state NMR spectroscopy, powder X-ray diffraction, and computational chemistry methods can often reveal structural details that cannot be acquired from diffraction alone. We present here the structure determination of a surfactant-templated layered silicate material that lacks full three-dimensional crystallinity using such an NMR crystallography approach. Through a combination of powder X-ray diffraction and advanced (29)Si solid-state NMR spectroscopy, it is revealed that the structure of the silicate layer of this layered silicate material templated with cetyltrimethylammonium surfactant cations is isostructural with the silicate layer of a previously reported material referred to as ilerite, octosilicate, or RUB-18. High-field (1)H NMR spectroscopy reveals differences between the materials in terms of the ordering of silanol groups on the surfaces of the layers, as well as the contents of the inter-layer space.

  19. Structural and psychosocial correlates of birth order anomalies in schizophrenia and homicide.

    PubMed

    Schug, Robert A; Yang, Yaling; Raine, Adrian; Han, Chenbo; Liu, Jianghong

    2010-12-01

    Birth order--a unique index of both neurodevelopmental and/or psychosocial factors in the pathogenesis of psychiatric disorder--remains largely unexplored in violent schizophrenia. We examined whether murderers with schizophrenia would demonstrate birth order anomalies, distinguishing them from both nonviolent schizophrenia patients and murderers without schizophrenia. Self-report birth order, psychosocial history data (i.e., maternal birth age, family size, parental criminality, parental SES), and structural magnetic resonance imaging data were collected from normal controls, nonviolent schizophrenia patients, murderers with schizophrenia, murderers without schizophrenia, and murderers with psychiatric conditions other than schizophrenia at a brain hospital in Nanjing, China. Results indicated that murderers with schizophrenia were characterized by significantly increased (i.e., later) birth order compared with both nonviolent schizophrenia patients and murderers without schizophrenia. Additionally, birth order was negatively correlated with gray matter volume in key frontal subregions for schizophrenic murderers, and was negatively correlated with parental SES. Findings may suggest biological, psychosocial, or interactional trajectories which may lead to a homicidally violent outcome in schizophrenia.

  20. Enzyme-mediated self-assembly of highly ordered structures from disordered proteins

    NASA Astrophysics Data System (ADS)

    Athamneh, Ahmad I.; Barone, Justin R.

    2009-10-01

    Wheat gluten is an amorphous storage protein. Trypsin hydrolysis of wheat gluten produced glutamine-rich peptides. Some peptides were able to self-assemble into fibrous structures extrinsic to native wheat gluten. The final material was an in situ formed peptide composite of highly ordered nanometer-sized fibrils and micron-sized fibers embedded in an unassembled peptide matrix. Fourier transform infrared spectroscopic and x-ray diffraction data suggested that the new structures resembled that of cross- β fibrils found in some insect silk and implicated in prion diseases. The largest self-assembled fibers were about 10 µm in diameter with right-handed helicity and appeared to be bundles of smaller nanometer-sized fibrils. Results demonstrated the potential for utilizing natural mechanisms of protein self-assembly to design advanced materials that can provide a wide range of structural and chemical functionality.

  1. Communication: No guidance needed: Ordered structures and transformations of thin methanol ice on hydrophobic surfaces

    NASA Astrophysics Data System (ADS)

    He, Xing; Wu, Chengyi; Yang, Ding-Shyue

    2016-11-01

    A clear knowledge of structures is essential to the understanding and potential control of complex interfacial phenomena that involve multiple intermolecular and surface interactions of different strengths. Molecules with the ability to form hydrogen bonds are often of particular interest. Here, we report the observation of 2- and 3-dimensional ordered assemblies of methanol molecules on hydrophobic silicon surfaces, using reflection high-energy electron diffraction. Direct structure probing reveals that the crystallization temperatures and the structural transformations of the hydrogen-bonded networks are far beyond a single-stage description and strongly depend on the thermal annealing procedures used. Such results elucidate the unique self-assembling behavior of interfacial methanol even without much guidance from the smooth substrate.

  2. Analysis of noise produced by an orderly structure of turbulent jets

    NASA Technical Reports Server (NTRS)

    Hardin, J. C.

    1973-01-01

    The orderly structure which has been observed recently by numerous researchers within the transition region of subsonic turbulent jets is analyzed to reveal its noise-producing potential. For a circular jet, this structure is molded as a train of toroidal vortex rings which are formed near the jet exit and propagate downstream. The noise produced by the model is evaluated from a reformulation of Lighthill's expression for the far-field acoustic density, which emphasizes the importance of the vorticity within the turbulent flow field. It is shown that the noise production occurs mainly close to the jet exit and depends primarily upon temporal changes in the toroidal radii. The analysis suggests that the process of formation of this regular structure may also be an important contribution of the high-frequency jet noise. These results may be helpful in the understanding of jet-noise generation and in new approaches to jet-noise suppression.

  3. Influenza A virus coding regions exhibit host-specific global ordered RNA structure.

    PubMed

    Priore, Salvatore F; Moss, Walter N; Turner, Douglas H

    2012-01-01

    Influenza A is a significant public health threat, partially because of its capacity to readily exchange gene segments between different host species to form novel pandemic strains. An understanding of the fundamental factors providing species barriers between different influenza hosts would facilitate identification of strains capable of leading to pandemic outbreaks and could also inform vaccine development. Here, we describe the difference in predicted RNA secondary structure stability that exists between avian, swine and human coding regions. The results predict that global ordered RNA structure exists in influenza A segments 1, 5, 7 and 8, and that ranges of free energies for secondary structure formation differ between host strains. The predicted free energy distributions for strains from avian, swine, and human species suggest criteria for segment reassortment and strains that might be ideal candidates for viral attenuation and vaccine development.

  4. Determining the effects of microwave heating on the ordered structures of rice starch by NMR.

    PubMed

    Fan, Daming; Ma, Wenrui; Wang, Liyun; Huang, Jianlian; Zhang, Fengmin; Zhao, Jianxin; Zhang, Hao; Chen, Wei

    2013-02-15

    The effects of microwave heating on the double helices, single helix and amorphous structures and the relative crystallinity of rice starch were studied by (13)C CP/MAS NMR method, with rapid heating in an oil bath and conventional slow heating as controls. The results indicated that compared with rapid heating, microwave heating did not significantly change the ordered and disordered structures. All of the heating methods exhibited similar content changes to the double helices, V-type single helix and amorphous structures with rising temperature. The rapid heating effects caused by microwave and oil bath accelerated the destruction of the V-type single helix in the starch granules. The electromagnetic effect of microwave heating did not affect the decrease of the double helices or the amorphous content of the starch.

  5. Design and construction of higher-order structure and function in proteinosome-based protocells.

    PubMed

    Huang, Xin; Patil, Avinash J; Li, Mei; Mann, Stephen

    2014-06-25

    The design and construction of higher-order structure and function in proteinosome microcompartments enclosed by a cross-linked membrane of amphiphilic bovine serum albumin/poly(N-isopropylacrylamide) (BSA-NH2/PNIPAAm) nanoconjugates is described. Three structure/function relationships are investigated: (i) differential chemical cross-linking for the control of membrane disassembly and regulated release of encapsulated genetic polymers; (ii) enzyme-mediated hydrogel structuring of the internal microenvironment to increase mechanical robustness and generate a molecularly crowded reaction environment; and (iii) self-production of a membrane-enclosing outer hydrogel wall for generating protease-resistant forms of the protein-polymer protocells. Our results highlight the potential of integrating aspects of supramolecular and polymer chemistry into the design and construction of novel bioinspired microcompartments as a step toward small-scale materials systems based on synthetic cellularity.

  6. A fractional-order controller for vibration suppression of uncertain structures.

    PubMed

    Aghababa, Mohammad Pourmahmood

    2013-11-01

    The problem of active control of vibration structures has attracted much attention over the past decades. A general description of the control problem of vibration systems is to design an active controller to suppress the vibrations of the system induced by external disturbances such as an earthquake. In this paper, a novel fractional-order sliding mode control is introduced to attenuate the vibrations of structures with uncertainties and disturbances. After establishing a stable fractional sliding surface, a sliding mode control law is proposed. Then, the global asymptotic stability of the closed-loop system is analytically proved using fractional Lyapunov stability theorem. Finally, the robustness and applicability of the technique are verified using two examples, including a three degree of freedom structure and a two-story shear building.

  7. Structural transitions of ordered kesterite-type Cu2ZnSnS4 under pressure

    NASA Astrophysics Data System (ADS)

    Efthimiopoulos, I.; Ritscher, A.; Lerch, M.; Speziale, S.; Pakhomova, A. S.; Liermann, H. P.; Koch-Müller, M.

    2017-01-01

    We have investigated the high-pressure structural and vibrational behavior of the ordered kesterite-type Cu2ZnSnS4 compound. Our investigations have revealed two structural transitions: a kesterite-to-disordered kesterite transition was observed between 7 and 9 GPa, which involves a Zn/Cu disorder within the respective cationic sublattice, whereas a rocksalt-type structure was realized at ˜15 GPa. The latter transition is accompanied by a cationic coordination increase from fourfold-to-sixfold with respect to the sulfur anions. The predicted kesterite-to-stannite transition was not detected. Furthermore, our high-pressure Raman studies have shown that the aforementioned Zn/Cu cationic disorder will always be present in Cu2ZnSnS4 under relatively moderate compression.

  8. Magnetism, structure and chemical order in small CoPd clusters: A first-principles study

    NASA Astrophysics Data System (ADS)

    Mokkath, Junais Habeeb

    2014-01-01

    The structural, electronic and magnetic properties of small ComPdn(N=m+n=8,m=0-N) nanoalloy clusters are studied in the framework of a generalized-gradient approximation to density-functional theory. The optimized cluster structures have a clear tendency to maximize the number of nearest-neighbor CoCo pairs. The magnetic order is found to be ferromagnetic-like (FM) for all the ground-state structures. Antiferromagnetic-like spin arrangements were found in some low-lying isomers. The average magnetic moment per atom μ increases approximately linearly with Co content. A remarkable enhancement of the local Co moments is observed as a result of Pd doping. This is a consequence of the increase in the number of Co d holes, due to CoPd charge transfer, combined with the reduced local coordination. The influence of spin-orbit interactions on the cluster properties is also discussed.

  9. Communication: No guidance needed: Ordered structures and transformations of thin methanol ice on hydrophobic surfaces.

    PubMed

    He, Xing; Wu, Chengyi; Yang, Ding-Shyue

    2016-11-07

    A clear knowledge of structures is essential to the understanding and potential control of complex interfacial phenomena that involve multiple intermolecular and surface interactions of different strengths. Molecules with the ability to form hydrogen bonds are often of particular interest. Here, we report the observation of 2- and 3-dimensional ordered assemblies of methanol molecules on hydrophobic silicon surfaces, using reflection high-energy electron diffraction. Direct structure probing reveals that the crystallization temperatures and the structural transformations of the hydrogen-bonded networks are far beyond a single-stage description and strongly depend on the thermal annealing procedures used. Such results elucidate the unique self-assembling behavior of interfacial methanol even without much guidance from the smooth substrate.

  10. Hidden spin-order-induced room-temperature ferroelectricity in a peculiar conical magnetic structure

    NASA Astrophysics Data System (ADS)

    Shen, Shi-Peng; Liu, Xin-Zhi; Chai, Yi-Sheng; Studer, Andrew; Rule, Kirrily; Zhai, Kun; Yan, Li-Qin; Shang, Da-Shan; Klose, Frank; Liu, Yun-Tao; Chen, Dong-Feng; Sun, Young

    2017-03-01

    A novel mechanism of spin-induced ferroelectricity is unraveled in the alternating longitudinal conical (ALC) magnetic structure. Because the noncollinear ALC structure possesses a c -axis component with collinear ↑-↑-↓-↓ spin order, spin-driven ferroelectricity along the c axis due to the exchange striction mechanism is predicted. Our experiments verify this prediction in the Y-type hexaferrite B a0.3S r1.7C o2F e11Al O22 , where ferroelectricity along the c axis is observed up to room temperature. Neutron diffraction data clearly reveal the ALC phase and its evolution with magnetic fields. The c -axis electric polarization can be well modulated by applying either a b -plane or c -axis magnetic fields, even at 305 K. This kind of spin-induced ferroelectricity associated with the ALC magnetic structure provides a new resource of type II multiferroics.

  11. 1st Advanced Marine Renewable Energy Instrumentation Experts Workshop: April 5-7, 2011

    SciTech Connect

    Not Available

    2011-10-01

    The U.S. marine energy industry is actively pursuing development of offshore wind and marine hydrokinetic (MHK) energy systems. Experience in the wind energy sector demonstrates that new technology development requires thorough measurement and characterization of the environmental conditions prevalent at installation sites and of technology operating in the field. Presently, there are no turn-key instrumentation system solutions that meet the measurement needs of the marine energy industry. The 1st Advanced Marine Renewable Energy Instrumentation Experts Workshop brought together technical experts from government laboratories, academia, and industry representatives from marine energy, wind, offshore oil and gas, and instrumentation developers to present and discuss the instrumentation needs of the marine energy industry. The goals of the meeting were to: (1) Share the latest relevant knowledge among technical experts; (2) Review relevant state-of-the-art field measurement technologies and methods; (3) Review lessons learned from recent field deployments; (4) Identify synergies across different industries; (5) Identify gaps between existing and needed instrumentation capabilities; (6) Understand who are the leading experts; (7) Provide a forum where stakeholders from the marine energy industry could provide substantive input in the development of new marine energy field deployable instrumentation packages.

  12. The Current Status of the 1st Electromagnetism Satellite Mission in China

    NASA Astrophysics Data System (ADS)

    Shen, Xuhui; Wang, Lanwei; Zhang, Xuemin; Yuan, Shigeng

    2014-05-01

    The 1st China Electromagnetism Satellite now is on its Phase C for Electrical Mode and Qualification mode. And according to the developing schedule, the satellite is due to be launched before the end of 2016. The first electromagnetism satellite is defined as an experiment satellite with it's major scientific objectives to monitor the global electromagnetic fields as well as plasma distribution in ionosphere, to provide seismo-eletromagnetic information for studying earthquake mechanism and short-term prediction of large earthquakes, and to share the data with earthquake sciences and space sciences. The satellite will work on Sun synchronous orbit with the attitude of about 500km and descending node 14:00LT. The payload assembly are as following: Search Coil Magnetometer, Electric Field Detector, Flux-Gate Magnetometer, Plasma Analyser, Langmuir Probe, GNSS Two-frequency Receiver, Three-frequency Transmitter, Energetic Particle Detector. The main physical parameters and products of the mission are electromagnetic field and electromagnetic wave, plasma density, temperature, and tomography in ionosphere, high energy particle disturbance, etc. The Chinese work team is ready to open the data and jointly research on common topics with international colleagues.

  13. 1st ACT global trajectory optimisation competition: Results found at the Jet Propulsion Laboratory

    NASA Astrophysics Data System (ADS)

    Petropoulos, Anastassios E.; Kowalkowski, Theresa D.; Vavrina, Matthew A.; Parcher, Daniel W.; Finlayson, Paul A.; Whiffen, Gregory J.; Sims, Jon A.

    2007-11-01

    Results obtained at the Jet Propulsion Laboratory for the 1st ACT global trajectory optimisation competition are presented and the methods used to obtain them are described. The search for the globally optimal, low-thrust, gravity-assist trajectory for maximally deflecting an asteroid is performed in two steps. The first step involves a rough global search of the global search space, which has, however, been somewhat bounded based on prior mission-design experience, intuition, and energy arguments. A shape-based method is used to represent the low-thrust arcs, while the ballistic portions are searched almost exhaustively. The second step involves local optimisation of trajectories which stand out from the rough global search. The low-thrust optimisation problem is turned into a parameter optimisation problem by approximating the continuous thrusting as a series of impulsive manoeuvres. Of the many trajectories found, three optimal trajectories are reported and compared, including the one submitted for the competition. The best one employed a double-Venus, quadruple-Earth, Jupiter Saturn Jupiter gravity-assist sequence. The trajectory submitted for the competition used one less Venus flyby and one less Earth flyby.

  14. Calibration and commutability assessment of the 1st International Standard for Diphtheria Antitoxin Human.

    PubMed

    Stickings, Paul; Rigsby, Peter; Coombes, Laura; von Hunolstein, Christina; Ralli, Luisa; Pinto, Antonella; Sesardic, Dorothea

    2013-11-01

    The 1st International Standard for Diphtheria Antitoxin Human (coded 10/262) was established by the World Health Organization Expert Committee on Biological Standardization in 2012. This paper describes the production, characterization and calibration of the new standard which is intended for use in the standardization of assays used to measure diphtheria antibody responses in human serum. The new standard was calibrated in terms of the International Standard for Diphtheria Antitoxin Equine in an international collaborative study. A total of 8 participants from 8 different countries performed in vivo and/or in vitro toxin neutralization tests and returned data that was used to assign units to the proposed new standard. The new standard has a diphtheria antitoxin potency of 2 IU/ampoule and is predicted to be stable. A follow up study was performed to assess commutability of the new standard. The follow up study was an existing external quality assessment, modified to include the new standard. Results obtained suggest that the new standard is commutable, showing comparable behaviour to native human serum samples in the majority of the assays compared, and is therefore suitable for use as a reference preparation in assays used to measure the level of anti-diphtheria antibodies in human serum.

  15. Providing simulation experiences for large cohorts of 1st year nursing students: evaluating quality and impact.

    PubMed

    Rochester, Suzanne; Kelly, Michelle; Disler, Rebecca; White, Haidee; Forber, Jan; Matiuk, Sonia

    2012-01-01

    To provide each student within a large cohort the opportunity to participate in a small group simulation that meets recognised quality indicators is a challenge for Bachelor of Nursing programmes in Australia. This paper, as part of a larger longitudinal study, describes one approach used to manage a simulation for 375 1st year nursing students and to report on the quality of the experience from the student's perspective. To ensure quality was maintained within the large cohort, aspects of the simulation were assessed against the following indicators: alignment with curriculum pedagogy and goals; preparation of students and staff; fidelity; and debriefing. Data obtained from a student focus group were analysed in the context of the quality indicators. The following themes emerged from the data: knowing what to expect; assuming roles for the simulation; authenticity and thinking on your feet; feeling the RN role; and, preparation for clinical practice. This paper demonstrates it is possible to provide students in large cohorts with active participatory roles in simulations whilst maintaining quality indicators.

  16. Parenting and Preschool Self-Regulation as Predictors of Social Emotional Competence in 1st Grade

    PubMed Central

    Russell, Beth S.; Lee, Jungeun Olivia; Spieker, Susan; Oxford, Monica L.

    2016-01-01

    The current longitudinal study used data from the National Institute of Child Health and Human Development (NICHD) Study of Early Child Care and Youth Development (SECCYD) to examine a model of development that emphasizes early caregiving environments as predictors of social emotional competence (including classroom competence). This path analysis model included features of parenting, emotion regulation, preschool language skills, and attention to predict child outcomes in 1st grade. Early caregiving environments were directly predictive of peer relationship satisfaction, oppositional behavior, social skills, and classroom competence over and above significant mediated effects through preschool self regulation (language, inattention, and anger/frustration). These results suggest that the characteristics of supportive and stimulating caregiving shift in valence over time, such that qualities of the infant-child relationship that are significant in predicting early childhood outcomes are not the same as the caregiving qualities that move to the foreground in predicting primary school outcomes. Implications for school-readiness programming are discussed, including interventions in the early caregiving system to encourage sensitive and supportive parent child interactions to bolster school readiness via the development of social-emotional competence. PMID:27616805

  17. Establishing the 1st Chinese National Standard for inactivated hepatitis A vaccine.

    PubMed

    Gao, Fan; Mao, Qun-Ying; Wang, Yi-Ping; Chen, Pan; Liang, Zheng-Lun

    2016-07-01

    A reference standard calibrated in the International Units is needed for the quality control of hepatitis A vaccine. Thus, National Institutes for Food and Drug Control launched a project to establish a non-adsorbed inactivated hepatitis A vaccine reference as the working standard calibrated against the 1st International Standard (IS). Two national standard candidates (NSCs) were obtained from two manufacturers, and designated as NSC A (lyophilized form) and NSC B (liquid form). Six laboratories participated in the collaborative study and were asked to use their in-house validated enzyme-linked immunosorbent assay methods to detect hepatitis A vaccine antigen content. Although both exhibited good parallelism and linear relationship with IS, NSC B showed a better agreement among laboratories than NSC A. And based on suitability of the candidates, NSC B was selected. The accelerated degradation study showed that NSC B was stable at the storage temperature (≤-70 °C). Therefore NSC B was approved as the first Chinese national antigen standard for inactivated hepatitis A vaccine, with an assigned antigen content of 70 IU/ml.

  18. 1st paleomagnetic investigation of Nubia Sandstone at Kalabsha, south Western Desert of Egypt

    NASA Astrophysics Data System (ADS)

    Mostafa, R.; Khashaba, A.; El-Hemaly, I. A.; Takla, E. M.; Abdel Aal, E.; Odah, H.

    2016-06-01

    Two profiles have been sampled from the Nubia Sandstone at Aswan, south Western Desert: the 1st profile has been taken from Abu Aggag Formation and the 2nd one was from Sabaya Formation (23.25 °N, 32.75 °E). 136 oriented cores (from 9 sites) have been sampled. Abu Aggag Formation is of Late Cretaceous (Turonian) and Sabaya Formation is of early Cretaceous (Albian-Cenomanian). The studied rocks are subjected to rock magnetic measurements as well as demagnetization treatment. It has been found that hematite is the main magnetic mineral in both formations. Four profile sections from Abu Aggag Formation, yielded a magnetic component with D = 352.7°, I = 36.6° with α95 = 5.2° and the corresponding pole lies at Lat. = 82.8 °N and Long. = 283.1 °E. Five profile sections from Sabaya Formation, yielded a magnetic component with D = 348.6°, I = 33.3° with α95 = 5.8° and the corresponding pole lies at Lat. = 78.3 °N and Long. = 280.4 °E. The obtained paleopole for the two formations lies at Lat. = 80.5 °N and Long. = 281.7 °E. The obtaind magnetic components are considered primary and the corresponding paleopole reflects the age of Nubia Sandstone when compared with the previously obtained Cretaceous poles for Egypt.

  19. Self-assembly of hierarchically ordered structures in DNA nanotube systems

    NASA Astrophysics Data System (ADS)

    Glaser, Martin; Schnauß, Jörg; Tschirner, Teresa; Schmidt, B. U. Sebastian; Moebius-Winkler, Maximilian; Käs, Josef A.; Smith, David M.

    2016-05-01

    The self-assembly of molecular and macromolecular building blocks into organized patterns is a complex process found in diverse systems over a wide range of size and time scales. The formation of star- or aster-like configurations, for example, is a common characteristic in solutions of polymers or other molecules containing multi-scaled, hierarchical assembly processes. This is a recurring phenomenon in numerous pattern-forming systems ranging from cellular constructs to solutions of ferromagnetic colloids or synthetic plastics. To date, however, it has not been possible to systematically parameterize structural properties of the constituent components in order to study their influence on assembled states. Here, we circumvent this limitation by using DNA nanotubes with programmable mechanical properties as our basic building blocks. A small set of DNA oligonucleotides can be chosen to hybridize into micron-length DNA nanotubes with a well-defined circumference and stiffness. The self-assembly of these nanotubes to hierarchically ordered structures is driven by depletion forces caused by the presence of polyethylene glycol. This trait allowed us to investigate self-assembly effects while maintaining a complete decoupling of density, self-association or bundling strength, and stiffness of the nanotubes. Our findings show diverse ranges of emerging structures including heterogeneous networks, aster-like structures, and densely bundled needle-like structures, which compare to configurations found in many other systems. These show a strong dependence not only on concentration and bundling strength, but also on the underlying mechanical properties of the nanotubes. Similar network architectures to those caused by depletion forces in the low-density regime are obtained when an alternative hybridization-based bundling mechanism is employed to induce self-assembly in an isotropic network of pre-formed DNA nanotubes. This emphasizes the universal effect inevitable

  20. First-order computation of the statistics of joint moments in partially restrained steel structures

    NASA Astrophysics Data System (ADS)

    Almusallam, T. H.; Al-Sugair, F. H.

    1994-08-01

    The flexibility of connections affects the performance of steel frame structures. Therefore, it must be considered in order to analyze the structure accurately. This flexibility is best described by the moment-rotation (M-theta ) curve of the connection which is modeled quite well by the Richard model. This model characterizes the M-theta relation by four parameters. The variation in the four parameters governing the M-theta curves for similar connections is mainly due to differences in fabrication and field conditions. This results in the moment predicted by the Richard M-theta model being a random variable. For a specific value of joint rotation, the probability distribution of the moment is dependent on the four parameters which define the model. This distribution should be determined in order to account for the variability in joint behavior in the analysis of flexible steel frames, and to assess the reliability of the structures. In this study, the distribution of the moment is found from the distributions of the four parameters which completely characterize the Richard model. Statistical simulation is used to generate values of the four parameters from their respective distributions. These values are used to calculate values of the moment for a range of values of rotation. The results are used to compute the statistics of the moment and to fit an appropriate probability distribution to its value. Finally, in order to provide a practical means of estimating the mean value and variance of the moment, a first-order Taylor series approximation is used and its results are compared to those of the simulation.

  1. Synthesis, electrochemistry, STM investigation of oligothiophene self-assemblies with superior structural order and electronic properties

    NASA Astrophysics Data System (ADS)

    Kuo, Cheng-Yu; Liu, Yinghao; Yarotski, Dmitry; Li, Hao; Xu, Ping; Yen, Hung-Ju; Tretiak, Sergei; Wang, Hsing-Lin

    2016-12-01

    Three oligothiophene (terthiophene, tetrathiophene and pentathiophene) derivatives are synthesized and their monolayer self-assemblies on gold (Au) are prepared via Au-S covalent bond. Our UV-Vis experimental characterization of solution reveals the dependence of the optical properties on the conjugation length of the oligothiophenes, which compares well with Time-Dependent Density Functional Theory (TDDFT) simulations of spectra of individual chromophores. Photoluminescent spectra of thin films show pronounced red shifts compared to that of solutions, suggesting strong inter-oligomer interactions. The comparative studies of cyclic voltammograms of tetrathiophene from solution, cast film and self-assembled monolayer (SAM) indicate presence of one, two, and three oxidized species in these samples, respectively, suggesting a very strong electronic coupling between tetrathiophene molecules in the SAM. Scanning tunneling microscopy (STM) imaging of SAMs of the tetrathiophene on an atomically flat Au surface exhibits formation of monolayer assemblies with molecular order, and the molecular packing appears to show an overlay of oligothiophene molecules on top of another one. In contrast, the trimer and pentamer images show only aggregated species lacking long-range order on the molecular level. Such trends in going from disordered-ordered-disordered monolayer assemblies are mainly due to a delicate balance between inter-chromophore π-π couplings, hydrophobic interaction and the propensity to form Au-S covalent bond. Such hypothesis has been validated by our computational results suggesting different interaction patterns of oligothiophenes with odd numbered and even numbered thiophene repeat units placed in a dimer configuration. Observed correlations between oligomer geometry and structural order of monolayer assembly elucidate important structure-property relationships and have implications for these molecular structures in organic optoelectronic devices and energy

  2. Cognitive-based approach in teaching 1st year Physics for Life Sciences, including Atmospheric Physics and Climate Change components

    NASA Astrophysics Data System (ADS)

    Petelina, S. V.

    2009-12-01

    Most 1st year students who take the service course in Physics - Physics for Life Sciences - in Australia encounter numerous problems caused by such factors as no previous experience with this subject; general perception that Physics is hard and only very gifted people are able to understand it; lack of knowledge of elementary mathematics; difficulties encountered by lecturers in teaching university level Physics to a class of nearly 200 students with no prior experience, diverse and sometime disadvantageous backgrounds, different majoring areas, and different learning abilities. As a result, many students either drop, or fail the subject. In addition, many of those who pass develop a huge dislike towards Physics, consider the whole experience as time wasted, and spread this opinion among their peers and friends. The above issues were addressed by introducing numerous changes to the curriculum and modifying strategies and approaches in teaching Physics for Life Sciences. Instead of a conventional approach - teaching Physics from simple to complicated, topic after topic, the students were placed in the world of Physics in the same way as a newborn child is introduced to this world - everything is seen all the time and everywhere. That created a unique environment where a bigger picture and all details were always present and interrelated. Numerous concepts of classical and modern physics were discussed, compared, and interconnected all the time with “Light” being a key component. Our primary field of research is Atmospheric Physics, in particular studying the atmospheric composition and structure using various satellite and ground-based data. With this expertise and also inspired by an increasing importance of training a scientifically educated generation who understands the challenges of the modern society and responsibilities that come with wealth, a new section on environmental physics has been developed. It included atmospheric processes and the greenhouse

  3. Parametric reduced order models for predicting the nonlinear vibration response of cracked structures with uncertainty

    NASA Astrophysics Data System (ADS)

    Hong, Sung-Kwon; Castanier, Matthew P.; Epureanu, Bogdan I.

    2009-03-01

    Modeling and re-analysis techniques are proposed for predicting the dynamic response of complex structures that have suffered damage in one or more of their components. When such damages are present, the model of the healthy structure may no longer capture the system-level response or the loading from the rest of the structure on the damaged components. Hence, novel models that allow for an accurate re-analysis of the response of damaged structures are needed in important applications, including damage detection. Herein, such models are obtained by using a reduced order modeling approach based on component mode synthesis. Because the resonant response of a complex structure is often sensitive to component uncertainties (in geometric parameters such as thickness, material properties such as Young's modulus, etc.), novel parametric reduced order models (PROMs) are developed. In previous work, PROMs have been applied for handling uncertainties in a single substructure. Herein, PROMs are extended to the general case of multiple substructures with uncertain parameters or damage. Two damage cases are considered: severe structural deformation (dents), and cracks. For the first damage case, an approximate method based on static mode compensation (SMC) is used to perform fast re-analysis of the vibration response of the damaged structure. The re-analysis is performed through a range of locations and severity levels of the damage. For selected damage locations and levels, the SMC approximation is compared to full finite element analysis to demonstrate the accuracy and computational time savings for the new method. For the second damage case (cracks), the vibration problem becomes nonlinear due to the intermittent contact of the crack faces. Therefore, to estimate the resonant frequencies for a cracked structure, the bi-linear frequency approximation (BFA) is used for cracks of various lengths. Since BFA is based on linear analyses, it is fast and particularly well suited for

  4. Hardware efficient implementation of DFT using an improved first-order moments based cyclic convolution structure

    NASA Astrophysics Data System (ADS)

    Xiong, Jun; Liu, J. G.; Cao, Li

    2015-12-01

    This paper presents hardware efficient designs for implementing the one-dimensional (1D) discrete Fourier transform (DFT). Once DFT is formulated as the cyclic convolution form, the improved first-order moments-based cyclic convolution structure can be used as the basic computing unit for the DFT computation, which only contains a control module, a barrel shifter and (N-1)/2 accumulation units. After decomposing and reordering the twiddle factors, all that remains to do is shifting the input data sequence and accumulating them under the control of the statistical results on the twiddle factors. The whole calculation process only contains shift operations and additions with no need for multipliers and large memory. Compared with the previous first-order moments-based structure for DFT, the proposed designs have the advantages of less hardware consumption, lower power consumption and the flexibility to achieve better performance in certain cases. A series of experiments have proven the high performance of the proposed designs in terms of the area time product and power consumption. Similar efficient designs can be obtained for other computations, such as DCT/IDCT, DST/IDST, digital filter and correlation by transforming them into the forms of the first-order moments based cyclic convolution.

  5. Maternal Sleep-Related Cognitions and Infant Sleep: A Longitudinal Study from Pregnancy through the 1st Year

    ERIC Educational Resources Information Center

    Tikotzky, Liat; Sadeh, Avi

    2009-01-01

    Infant sleep is a major source of concern for many parents. The aims of this longitudinal study were to assess: (a) the development of sleep patterns among infants, (b) the development of maternal cognitions regarding infant sleep, and (c) the relations between these domains during the 1st year of life. Eighty-five mothers were recruited during…

  6. Comparative analysis of 1st, 2nd, and 4th year MD students' attitudes toward Complementary Alternative Medicine (CAM)

    PubMed Central

    Riccard, Christopher P; Skelton, Michele

    2008-01-01

    Background To identify and report the attitudes and beliefs of 1st, 2nd, and 4th year medical students toward complementary alternative medicine (CAM). Methods The previously validated and reliability tested CHBQ was administered to medical students attending the University of South Florida School of Medicine. Results Significant changes were found between both 1st (46.0 ± 7.7) and 4th (37.8 ± 15.7) year students and 2nd (48.3 ± 7.8) and 4th (37.8 ± 15.7) year students. No significant difference was found between 1st (46.0 ± 7.7) and 2nd (48.3 ± 7.8) year students. When comparing scores based on gender, a significant difference was present between males (41.2 ± 12.2) and females (46.1 ± 11.0). Conclusion CHBQ scores were significantly more positive in both 1st and 2nd year medical students in comparison with 4th year student's scores. These findings suggest that as student exposure to allopathic techniques and procedures increases during the last year of medical school, their attitudes toward CAM decrease. Females were also significantly more likely to have stronger positive attitudes toward CAM than males, though both genders represented an overall positive attitude toward CAM. PMID:18799010

  7. Jordanian Kindergarten and 1st-Grade Teachers' Beliefs about Child-Based Dimensions of School Readiness

    ERIC Educational Resources Information Center

    Fayez, Merfat; Ahmad, Jamal Fathi; Oliemat, Enass

    2016-01-01

    The purpose of this study was to explore the beliefs of Jordanian kindergarten and 1st-grade teachers regarding six child-based dimensions of school readiness: academic knowledge, basic thinking skills, socioemotional maturity, physical well-being and motor development, self-discipline, and communication skills. Questionnaires were used to collect…

  8. 78 FR 7781 - Filing Dates for the South Carolina Special Elections in the 1st Congressional District

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-02-04

    ... From the Federal Register Online via the Government Publishing Office FEDERAL ELECTION COMMISSION Filing Dates for the South Carolina Special Elections in the 1st Congressional District AGENCY: Federal Election Commission. ACTION: Notice of filing dates for special elections. SUMMARY: South Carolina...

  9. Addressing the Effects of Reciprocal Teaching on the Receptive and Expressive Vocabulary of 1st-Grade Students

    ERIC Educational Resources Information Center

    Mandel, Eliana; Osana, Helena P.; Venkatesh, Vivek

    2013-01-01

    This study evaluated the effects of Adapted Reciprocal Teaching (ART) on the receptive and expressive flight-word vocabulary of 1st-grade students. During ART, classroom interactions produced narrative contexts within which students assumed responsibility for applying new flight words in personally meaningful ways. Students in the control group…

  10. Adsorption and structural properties of ordered mesoporous carbons synthesized by using various carbon precursors and ordered siliceous P6mm and Ia3d mesostructures as templates.

    PubMed

    Gierszal, Kamil P; Kim, Tae-Wan; Ryoo, Ryong; Jaroniec, Mietek

    2005-12-15

    Adsorption and structural properties of inverse carbon replicas of two ordered siliceous P6mm and Ia3d mesostructures have been studied by nitrogen adsorption, powder X-ray diffraction, and transmission electron microscopy. These carbon replicas were prepared by filling the pores of SBA-15 and KIT-6 siliceous templates with various carbon precursors followed by carbonization and silica dissolution. Sucrose, furfuryl alcohol, acenaphthene, mesophase pitch, and petroleum pitch were used to obtain inverse carbon replicas of SBA-15 and KIT-6. While structural properties of the resulting ordered mesoporous carbons are mainly determined by the hard template used, their adsorption properties depend on the type of the carbon precursor.

  11. Magneto-fluorescent hybrid of dye and SPION with ordered and radially distributed porous structures

    NASA Astrophysics Data System (ADS)

    Gogoi, Madhulekha; Deb, Pritam

    2014-04-01

    We have reported the development of a silica based magneto-fluorescent hybrid of a newly synthesized dye and superparamagnetic iron oxide nanoparticles with ordered and radially distributed porous structure. The dye is synthesized by a novel yet simple synthetic approach based on Michael addition between dimer of glutaraldehyde and oleylamine molecule. The surfactant used for phase transformation of the dye from organic to aqueous phase, also acts as a structure directing agent for the porous structure evolution of the hybrid with radial distribution. The evolution of the radially distributed pores in the hybrids can be attributed to the formation of rod-like micelles containing nanoparticles, for concentration of micelles greater than critical micelle concentration. A novel water extraction method is applied to remove the surfactants resulting in the characteristic porous structure of the hybrid. Adsorption isotherm analysis confirms the porous nature of the hybrids with pore diameter ∼2.4 nm. A distinct modification in optical and magnetic property is observed due to interaction of the dye and SPION within the silica matrix. The integration of multiple structural components in the so developed hybrid nanosystem results into a potential agent for multifunctional biomedical application.

  12. Micro-structuring of polycarbonate-urethane surfaces in order to reduce platelet activation and adhesion.

    PubMed

    Clauser, Johanna; Gester, Kathrin; Roggenkamp, Jan; Mager, Ilona; Maas, Judith; Jansen, Sebastian V; Steinseifer, Ulrich

    2014-01-01

    In the development of new hemocompatible biomaterials, surface modification appears to be a suitable method in order to reduce the thrombogenetic potential of such materials. In this study, polycarbonate-urethane (PCU) tubes with different surface microstructures to be used for aortic heart valve models were investigated with regard to the thrombogenicity. The surface structures were produced by using a centrifugal casting process for manufacturing PCU tubes with defined casting mold surfaces which are conferred to the PCU surface during the process. Tubes with different structures defined by altering groove widths were cut into films and investigated under dynamic flow conditions in contact with porcine blood. The analysis was carried out by laser scanning microscopy which allowed for counting various morphological types of platelets with regard to the grade of activation. The comparison between plain and shaped PCU samples showed that the surface topography led to a decline of the activation of the coagulation cascade and thus to the reduction of the fibrin synthesis. Comparing different types of structures revealed that smooth structures with a small groove width (d ~ 3 μm) showed less platelet activation as well as less adhesion in contrast to a distinct wave structure (d ~ 90 μm). These results prove surface modification of polymer biomaterials to be a suitable method for reducing thrombogenicity and hence give reason for further alterations and improvements.

  13. Structural order parameters of the ? transition - a soft-Ising-system

    NASA Astrophysics Data System (ADS)

    Holst, C.; Schmahl, W. W.; Knight, K. S.; Fuess, H.

    1998-10-01

    Order parameter and spontaneous strain of the coelastic Brillouin zone boundary transition 0953-8984/10/39/016/img9 at 0953-8984/10/39/016/img10 K were obtained from Rietveld refinement of high-resolution neutron powder diffraction data. The main aspect of the transition is that of zone boundary ordering of an Ising pseudo-spin variable, describing two distinct distorted states 0953-8984/10/39/016/img11, where the absolute value 0953-8984/10/39/016/img12 has some displaced character and is also temperature dependent. For Rietveld refinement the system was thus described by an Ising-like occupational parameter 0953-8984/10/39/016/img13 and displaced atomic shifts from the aristotype structure, which were derived from a constrained split model. The thermodynamic order parameter, representing the average state of order in the system, is the product of the occupational and displaced variables. An empirical power law 0953-8984/10/39/016/img14 leads to a scaling exponent 0953-8984/10/39/016/img15, whereas the total symmetric spontaneous strain 0953-8984/10/39/016/img16 of the unit cell follows a critical scaling 0953-8984/10/39/016/img17. Due to a small hysteresis derived from thermo-analytical measurements Landau first-order behaviour could be verified with a discontinuous shift of the polyphosphate chains in [010] of 0953-8984/10/39/016/img18 pm. Below about 840 K deviations of the order parameter behaviour to a less pronounced temperature dependence indicate a change in local dynamics.

  14. Role of Halides in the Ordered Structure Transitions of Heated Gold Nanocrystal Superlattices

    PubMed Central

    2015-01-01

    Dodecanethiol-capped gold (Au) nanocrystal superlattices can undergo a surprisingly diverse series of ordered structure transitions when heated (Goodfellow, B. W.; Rasch, M. R.; Hessel, C. M.; Patel, R. N.; Smilgies, D.-M.; Korgel, B. A. Nano Lett.2013, 13, 5710–5714). These are the result of highly uniform changes in nanocrystal size, which subsequently force a spontaneous rearrangement of superlattice structure. Here, we show that halide-containing surfactants play an essential role in these transitions. In the absence of any halide-containing surfactant, superlattices of dodecanethiol-capped (1.9-nm-diameter) Au nanocrystals do not change size until reaching about 190–205 °C, at which point the gold cores coalesce. In the presence of halide-containing surfactant, such as tetraoctylphosphonium bromide (TOPB) or tetraoctylammounium bromide (TOAB), the nanocrystals ripen at much lower temperature and superlattices undergo various ordered structure transitions upon heating. Chloride- and iodide-containing surfactants induce similar behavior, destabilizing the Au–thiol bond and reducing the thermal stability of the nanocrystals. PMID:26013597

  15. Pressure-induced structural and magnetic phase transitions in ordered and disordered equiatomic FeCo

    NASA Astrophysics Data System (ADS)

    Torchio, R.; Kvashnin, Y. O.; Marini, C.; Mathon, O.; Garbarino, G.; Mezouar, M.; Wright, J. P.; Bruno, P.; Genovese, L.; Baudelet, F.; Meneghini, C.; Mobilio, S.; Morley, N. A.; Gibbs, M. R. J.; Pascarelli, S.

    2013-11-01

    The magnetic and structural phase diagram of equiatomic FeCo has been studied up to 45 GPa using K-edge x-ray magnetic circular dichroism, x-ray absorption near edge spectroscopy, x-ray diffraction, and supporting density-functional-theory-based calculations. FeCo foils with different degrees of chemical order were obtained by magnetron sputtering. Our results show that Fe0.5Co0.5 undergo the bcc ferromagnetic to hcp nonferromagnetic transition in the 30-45 GPa pressure range. Interestingly, the chemical order, i.e., the relative arrangements of Fe and Co atoms, plays a major role in affecting the high-pressure structural and magnetic phase diagram of these alloys. This result is confirmed by first-principles modeling of different structures of equiatomic FeCo alloy. Moreover, the total-energy analysis reveals a strong competition between different magnetic hcp states upon compression. A possible emergence of antiferromagnetism is emphasized and requires further experimental investigation.

  16. Structurally ordered mesoporous carbon nanoparticles as transmembrane delivery vehicle in human cancer cells.

    PubMed

    Kim, Tae-Wan; Chung, Po-Wen; Slowing, Igor I; Tsunoda, Makoto; Yeung, Edward S; Lin, Victor S-Y

    2008-11-01

    A structurally ordered, CMK-1 type mesoporous carbon nanoparticle (MCN) material was successfully synthesized by using a MCM-48 type mesoporous silica nanoparticle as template. The structure of MCN was analyzed by a series of different techniques, including the scanning and transmission electron microscopy, powder X-ray diffraction, and N2 sorption analysis. To the best of our knowledge, no study has been reported prior to our investigation on the utilization of these structurally ordered mesoporous carbon nanoparticles for the delivery of membrane impermeable chemical agents inside of eukaryotic cells. The cellular uptake efficiency and biocompatibility of MCN with human cervical cancer cells (HeLa) were investigated. Our results show that the inhibitory concentration (IC50) value of MCN is very high (>50 microg/mL per million cells) indicating that MCN is fairly biocompatible in vitro. Also, a membrane impermeable fluorescence dye, Fura-2, was loaded to the mesoporous matrix of MCN. We demonstrated that the MCN material could indeed serve as a transmembrane carrier for delivering Fura-2 through the cell membrane to release these molecules inside of live HeLa cells. We envision that further developments of this MCN material will lead to a new generation of nanodevices for transmembrane delivery and intracellular release applications.

  17. 29Si NMR study of structural ordering in aluminosilicate geopolymer gels.

    PubMed

    Duxson, Peter; Provis, John L; Lukey, Grant C; Separovic, Frances; van Deventer, Jannie S J

    2005-03-29

    A systematic series of aluminosilicate geopolymer gels was synthesized and then analyzed using 29Si magic-angle spinning nuclear magnetic resonance (MAS NMR) in combination with Gaussian peak deconvolution to characterize the short-range ordering in terms of T-O-T bonds (where T is Al or Si). The effect of nominal Na2O/(Na2O + K2O) and Si/Al ratios on short-range network ordering was quantified by deconvolution of the 29Si MAS NMR spectra into individual Gaussian peaks representing different Q4(mAl) silicon centers. The deconvolution procedure developed in this work is applicable to other aluminosilicate gel systems. The short-range ordering observed here indicates that Loewenstein's Rule of perfect aluminum avoidance may not apply strictly to geopolymeric gels, although further analyses are required to quantify the degree of aluminum avoidance. Potassium geopolymers appeared to exhibit a more random Si/Al distribution compared to that of mixed-alkali and sodium systems. This work provides a quantitative account of the silicon and aluminum ordering in geopolymers, which is essential for extending our understanding of the mechanical strength, chemical and thermal stability, and fundamental structure of these systems.

  18. Monadic structures over an ordered universal random graph and finite automata

    NASA Astrophysics Data System (ADS)

    Dudakov, Sergey M.

    2011-10-01

    We continue the investigation of the expressive power of the language of predicate logic for finite algebraic systems embedded in infinite systems. This investigation stems from papers of M. A. Taitslin, M. Benedikt and L. Libkin, among others. We study the properties of a finite monadic system which can be expressed by formulae if such a system is embedded in a random graph that is totally ordered in an arbitrary way. The Büchi representation is used to connect monadic structures and formal languages. It is shown that, if one restricts attention to formulae that are -invariant in totally ordered random graphs, then these formulae correspond to finite automata. We show that =-invariant formulae expressing the properties of the embedded system itself can express only Boolean combinations of properties of the form `the cardinality of an intersection of one-place predicates belongs to one of finitely many fixed finite or infinite arithmetic progressions'.

  19. Electronic structure model of the hidden order and Fermi surface gapping in URu2Si2

    NASA Astrophysics Data System (ADS)

    Oppeneer, Peter; Elgazzar, Saad; Rusz, Jan; Suzuki, Michi-To; Mydosh, John

    2009-03-01

    The hidden order (HO) in the heavy-fermion superconductor URu2Si2 has been studied for more than 20 years, without that the nature of this unusual phase could be uncovered. We present a microscopic explanation for the mechanism of the hidden order, on the basis of state-of-the-art electronic structure calculations. In particular, we show that our calculations explain very well all the known properties of the paramagnetic and large moment antiferromagnetic (LMAF) phases. Exploiting the known experimental equivalence between the Fermi surface properties of the LMAF and HO phases, we identify the Fermi surface ``hot spots'' where a Fermi surface instability is lifted through spontaneous symmetry breaking, causing a surprisingly large Fermi surface gapping. We quantify that symmetry breaking through collective modes of antiferromagnetic moment excitations can induce a substantial Fermi surface gapping that consistently explains the transport properties and entropy loss of the HO phase.

  20. ANOVA-HDMR structure of the higher order nodal diffusion solution

    SciTech Connect

    Bokov, P. M.; Prinsloo, R. H.; Tomasevic, D. I.

    2013-07-01

    Nodal diffusion methods still represent a standard in global reactor calculations, but employ some ad-hoc approximations (such as the quadratic leakage approximation) which limit their accuracy in cases where reference quality solutions are sought. In this work we solve the nodal diffusion equations utilizing the so-called higher-order nodal methods to generate reference quality solutions and to decompose the obtained solutions via a technique known as High Dimensional Model Representation (HDMR). This representation and associated decomposition of the solution provides a new formulation of the transverse leakage term. The HDMR structure is investigated via the technique of Analysis of Variance (ANOVA), which indicates why the existing class of transversely-integrated nodal methods prove to be so successful. Furthermore, the analysis leads to a potential solution method for generating reference quality solutions at a much reduced calculational cost, by applying the ANOVA technique to the full higher order solution. (authors)

  1. Third-order nonlinear optical response in quantum dot-metal nanoparticle hybrid structures

    NASA Astrophysics Data System (ADS)

    Liu, X. N.; Yao, D. Z.; Zhou, H. M.; Chen, F.; Xiong, G. G.

    2013-12-01

    Third-order nonlinear optical response of a semiconductor quantum dot, modulated by the metal nanoparticle (MNP), has been studied by using the effective mass and the rotating wave approximation. Considering multiple effects in the local and nonlocal optical response of the MNP, the dependence of the dispersion and the absorption on the size of the hybrid system are investigated in detail. By controlling the geometrical parameters of the hybrid structure and the direction of the electric field polarization, a significant enhancement of the nonlinear response is shown. The enhancement factor is nearly two orders of the magnitude, which is consistent with the experiment. Compared to the results obtained with the local effect, the center frequency shows blueshift obviously in the case of the nonlocal effect. In particular, the presence of the MNP leads to a strong absorption band appearance, which promises applications in the field of light transmission and the optical switching.

  2. Construction of minimum energy high-order Helmholtz bases for structured elements

    NASA Astrophysics Data System (ADS)

    Rodrigues, Caio F.; Suzuki, Jorge L.; Bittencourt, Marco L.

    2016-02-01

    We present a construction procedure for high-order expansion bases for structured finite elements specific for the operator under consideration. The procedure aims to obtain bases in such way that the condition numbers for the element matrices are almost constant or have a moderate increase in terms of the polynomial order. The internal modes of the mass and stiffness matrices are made simultaneously diagonal and the minimum energy concept is used to make the boundary modes orthogonal to the internal modes. The performance of the proposed bases is compared to the standard basis using Jacobi polynomials. This is performed through numerical examples for Helmholtz problem and transient linear elasticity employing explicit and implicit time integration algorithms and the conjugate gradient method with diagonal, SSOR and Gauss-Seidel pre-conditioners. The sparsity patterns, conditioning and solution costs are investigated. A significant speedup and reduction in the number of iterations are obtained when compared to the standard basis.

  3. Multiple Ordering Transitions in a Liquid Stabilized by Low Symmetry Structures

    NASA Astrophysics Data System (ADS)

    Ronceray, Pierre; Harrowell, Peter

    2014-01-01

    We present a numerical study of a lattice model of a liquid characterized by a low-symmetry favored local structure. We find that the freezing point is depressed far enough to reveal an exotic liquid-liquid transition characterized by the appearance of an extended chirality, prior to freezing. The ordered liquid can be readily supercooled to zero temperature, as the combination of critical slowing down and competing crystal polymorphs results in a dramatically slow crystallization process. These results provide an explicit scenario by which the ordering of a liquid can proceed via an intermediate liquid-liquid transition, a scenario that may prove helpful in the analysis of low temperature liquids interacting by more realistic interactions.

  4. Signatures of symmetry and electronic structure in high-order harmonic generation in polyatomic molecules

    SciTech Connect

    Wong, M. C. H.; Brichta, J.-P.; Bhardwaj, V. R.

    2010-06-15

    We report detailed measurements of high-order harmonic generation in chloromethane molecules (CCl{sub 4}, CHCl{sub 3}, and CH{sub 2}Cl{sub 2}) to show that fingerprints of symmetry and electronic structure can be decoded from high-order harmonic generation even in complex randomly oriented molecules. In our measurements, orbital symmetries of these molecules are manifested as both extended harmonic cutoffs and a local minimum in the ellipticity dependence of the cut-off harmonics, suggesting the occurrence of quantum interferences during ionization. The harmonic spectra exhibit distinct interference minima at {approx}42 and {approx}60 eV. We attribute the former to the Cooper minimum in the photoionization cross section and the latter to intramolecular interference during the recombination process.

  5. Fundamental structure of Fresnel diffraction: longitudinal uniformity with respect to fractional Fourier order.

    PubMed

    Ozaktas, Haldun M; Arık, Sercan Ö; Coşkun, Türker

    2012-01-01

    Fresnel integrals corresponding to different distances can be interpreted as scaled fractional Fourier transformations observed on spherical reference surfaces. Transverse samples can be taken on these surfaces with separation that increases with propagation distance. Here, we are concerned with the separation of the spherical reference surfaces along the longitudinal direction. We show that these surfaces should be equally spaced with respect to the fractional Fourier transform order, rather than being equally spaced with respect to the distance of propagation along the optical axis. The spacing should be of the order of the reciprocal of the space-bandwidth product of the signals. The space-dependent longitudinal and transverse spacings define a grid that reflects the structure of Fresnel diffraction.

  6. Detecting memory and structure in human navigation patterns using Markov chain models of varying order.

    PubMed

    Singer, Philipp; Helic, Denis; Taraghi, Behnam; Strohmaier, Markus

    2014-01-01

    One of the most frequently used models for understanding human navigation on the Web is the Markov chain model, where Web pages are represented as states and hyperlinks as probabilities of navigating from one page to another. Predominantly, human navigation on the Web has been thought to satisfy the memoryless Markov property stating that the next page a user visits only depends on her current page and not on previously visited ones. This idea has found its way in numerous applications such as Google's PageRank algorithm and others. Recently, new studies suggested that human navigation may better be modeled using higher order Markov chain models, i.e., the next page depends on a longer history of past clicks. Yet, this finding is preliminary and does not account for the higher complexity of higher order Markov chain models which is why the memoryless model is still widely used. In this work we thoroughly present a diverse array of advanced inference methods for determining the appropriate Markov chain order. We highlight strengths and weaknesses of each method and apply them for investigating memory and structure of human navigation on the Web. Our experiments reveal that the complexity of higher order models grows faster than their utility, and thus we confirm that the memoryless model represents a quite practical model for human navigation on a page level. However, when we expand our analysis to a topical level, where we abstract away from specific page transitions to transitions between topics, we find that the memoryless assumption is violated and specific regularities can be observed. We report results from experiments with two types of navigational datasets (goal-oriented vs. free form) and observe interesting structural differences that make a strong argument for more contextual studies of human navigation in future work.

  7. Higher-order massive neutrino perturbations in large-scale structure

    NASA Astrophysics Data System (ADS)

    Führer, Florian; Wong, Yvonne Y. Y.

    2015-03-01

    We develop a higher-order perturbation theory for large-scale structure formation involving a free-streaming hot or warm dark matter species. We focus on the case of mixed cold dark matter and massive neutrinos, although our approach is applicable also to a single warm dark matter species. In order to capture the suppressed growth of neutrino density perturbations on small scales, we account for the full momentum dependence of the phase space distribution using the Vlasov equation, and derive from it a formal closed-form nonlinear equation for the neutrino density. Using a systematic perturbative expansion of this equation we compute high-order corrections to the neutrino density contrast without the explicit need to track the perturbed neutrino momentum distribution. We calculate the leading-order total matter bispectrum for several neutrino masses. Using our result as a benchmark, we test the accuracy of the fluid approximation and a linear approximation used in perturbative and N-body analyses, as well as a new hybrid approach that combines the exact linear evolution with the nonlinear structure of the fluid equations. Aiming at lesssim 1% accuracy, we find that the total matter bispectrum with a low neutrino mass m = 0.046 eV can be reproduced by all but the fluid approximation, while for larger neutrino masses m=0.46 → 0.93 eV only the hybrid approach has the desired accuracy on a large range of scales. This result serves as a cautionary note that approximate nonlinear models of neutrino clustering that reproduce the gross features of some observables may not suffice for precision calculations, nor are they guaranteed to apply to other observables. All of the approximation schemes fail to reproduce the bispectrum of the neutrino density perturbations at better than 20% accuracy across all scales, indicating that an exact treatment of nonlinear neutrino perturbations is necessary.

  8. Structure and optical properties of ordered mesoporous titania-silica composite thin films.

    PubMed

    Wang, Zhongying; Wang, Peiyu; Li, Jiangong; Lu, Qingshan

    2009-04-01

    Highly ordered mesoporous titania-silica (TiO2-SiO2) composite thin films have been prepared by spin-coating technique using poly(alkaline oxide) triblock copolymers EO20PO70EO20 (P123) as structure-directing agent. Low-angle X-ray diffraction analysis shows that the mesoporous composite thin films remain a long range periodic ordered structure even if the TiO2/SiO2 ratio in the thin films is as high as 80%. Wide-angle X-ray diffraction analysis reveals that the average grain size of TiO2 increases from 2.2 to 5.1 nm as the TiO2/SiO2 ratio increases from 20% to 80%. The crystal structure of TiO2 is identified to be the anatase phase. Transmission electron microscopy observations confirm that the mesoporous titania-silica composite thin films have a hexagonally ordered pore array nanostructure. Ultraviolet-visible absorption spectra give the evidence that the TiO2 nanocrystals as well as the four-coordinate Ti co-exist in the silica matrix. The semiconductor TiO2 nanocrystals in the silica matrix have an obvious blue shift phenomenon of the absorption edge. As the average TiO2 grain size increases from 2.2 to 5.1 nm, the band gap of the TiO2 nanocrystals in the mesoporous titania-silica composite thin films decreases from 3.9 to 3.45 eV.

  9. Correlation of structural order, anomalous density, and hydrogen bonding network of liquid water.

    PubMed

    Bandyopadhyay, Dibyendu; Mohan, S; Ghosh, S K; Choudhury, Niharendu

    2013-07-25

    We use extensive molecular dynamics simulations employing different state-of-the-art force fields to find a common framework for comparing structural orders and density anomalies as obtained from different water models. It is found that the average number of hydrogen bonds correlates well with various order parameters as well as the temperature of maximum densities across the different models, unifying apparently disparate results from different models and emphasizing the importance of hydrogen bonding in determining anomalous properties and the structure of water. A deeper insight into the hydrogen bond network of water reveals that the solvation shell of a water molecule can be defined by considering only those neighbors that are hydrogen-bonded to it. On the basis of this view, the origin of the appearance of a non-tetrahedral peak at a higher temperature in the distribution of tetrahedral order parameters has been explained. It is found that a neighbor that is hydrogen-bonded to the central molecule is tetrahedrally coordinated even at higher temperatures. The non-tetrahedral peak at a higher temperature arises due to the strained orientation of the neighbors that are non-hydrogen-bonded to the central molecule. With the new definition of the solvation shell, liquid water can be viewed as an instantaneously changing random hydrogen-bonded network consisting of differently coordinated hydrogen-bonded molecules with their distinct solvation shells. The variation of the composition of these hydrogen-bonded molecules against temperature accounts for the density anomaly without introducing the concept of large-scale structural polyamorphism in water.

  10. First- and second-order sensitivity analysis of linear and nonlinear structures

    NASA Technical Reports Server (NTRS)

    Haftka, R. T.; Mroz, Z.

    1986-01-01

    This paper employs the principle of virtual work to derive sensitivity derivatives of structural response with respect to stiffness parameters using both direct and adjoint approaches. The computations required are based on additional load conditions characterized by imposed initial strains, body forces, or surface tractions. As such, they are equally applicable to numerical or analytical solution techniques. The relative efficiency of various approaches for calculating first and second derivatives is assessed. It is shown that for the evaluation of second derivatives the most efficient approach is one that makes use of both the first-order sensitivities and adjoint vectors. Two example problems are used for demonstrating the various approaches.

  11. Treatment Characteristics of Second Order Structure of Proteins Using Low-Pressure Oxygen RF Plasma

    NASA Astrophysics Data System (ADS)

    Hayashi, Nobuya; Nakahigashi, Akari; Kawaguchi, Ryutaro; Goto, Masaaki

    2010-10-01

    Removal of proteins from the surface of medical equipments is attempted using oxygen plasma produced by RF discharge. FTIR spectra indicate that the bonding of C-H and N-H in the casein protein is reduced after irradiation of oxygen plasma. Also, the second order structure of a protein such as α-helix and β-sheet are modified by the oxygen plasma. Complete removal of casein protein with the concentration of 0.016 mg/cm2 that is equivalent to remnants on the medical equipment requires two hours avoiding the damage to medical equipments.

  12. Topological band order, structural, electronic and optical properties of XPdBi (X = Lu, Sc) compounds

    NASA Astrophysics Data System (ADS)

    Narimani, M.; Nourbakhsh, Z.

    2016-05-01

    In this paper, the structural, electronic and optical properties of LuPdBi and ScPdBi compounds are investigated using the density functional theory by WIEN2K package within the generalized gradient approximation, local density approximation, Engel-Vosco generalized gradient approximations and modified Becke-Johnson potential approaches. The topological phases and band orders of these compounds are studied. The effect of pressure on band inversion strength, electron density of states and the linear coefficient of the electronic specific heat of these compounds is investigated. Furthermore, the effect of pressure on real and imaginary parts of dielectric function, absorption and reflectivity coefficients of these compounds is studied.

  13. Development of structural order during supercooling of a fragile oxide melt.

    PubMed

    Hennet, L; Pozdnyakova, I; Bytchkov, A; Price, D L; Greaves, G N; Wilding, M; Fearn, S; Martin, C M; Thiaudière, D; Bérar, J-F; Boudet, N; Saboungi, M-L

    2007-02-21

    The authors have studied the structural evolution of the fragile glass-forming liquid CaAl2O4 during supercooling from the stable liquid phase to the cold glass below Tg. The evolution is characterized by a sharpening of the first diffraction peak and a shortening of the average nearest-neighbor bond length around 1.25Tg, indicating an increase in the degree of both intermediate-range and short-range orders occurring close to the dynamical crossover temperature. The cooling curve developed a kink at this temperature, indicating a simultaneous change in thermodynamic properties.

  14. Band gap and chemically ordered domain structure of a graphene analogue BCN

    NASA Astrophysics Data System (ADS)

    Venu, K.; Kanuri, S.; Raidongia, K.; Hembram, K. P. S. S.; Waghmare, U. V.; Datta, R.

    2010-12-01

    Chemically synthesized few layer graphene analogues of B xC yN z are characterized by aberration corrected transmission electron microscopy and high resolution electron energy loss spectroscopy (HREELS) to determine the local phase, electronic structure and band gap. HREELS band gap studies of a B xC yN z composition reveal absorption edges at 2.08, 3.43 and 6.01 eV, indicating that the B xC yN z structure may consist of domains of different compositions. The K-absorption edge energy position of the individual elements in B xC yN z is determined and compared with h-BN and graphite. An understanding of these experimental findings is developed with complementary first-principles based calculations of the various ordered configurations of B xC yN z.

  15. Angled-cavity lasers with photonic-crystal structure and high-order surface gratings

    NASA Astrophysics Data System (ADS)

    Liu, Y.; Qu, H. W.; Zhao, S. Y.; Zhou, X. Y.; Wang, Y. F.; Zheng, W. H.

    2017-01-01

    980 nm angled-cavity laser diodes with photonic-crystal structures and high-order surface gratings (HSGs) were first designed and fabricated. These lasers were fabricated using standard photolithography on a single-growth wafer with a photonic crystal structure. In addition, the angled-cavity lasers with asymmetric HSGs offer a simple solution for laser emission with a high power, low divergence angle, and narrow spectral width. A continuous-wave output power of 848 mW facet-1 was experimentally obtained for a 100 μm-wide and 1 mm-long device. The lowest divergence angle and narrowest spectral width exhibited by these devices were 1.5° × 10.6° and 0.07 nm, respectively.

  16. Ordered mixed-layer structures in the Mighei carbonaceous chondrite matrix

    NASA Technical Reports Server (NTRS)

    Mackinnon, I. D. R.

    1982-01-01

    High resolution transmission electron microscopy of the Mighei carbonaceous chondrite matrix has revealed the presence of a new mixed layer structure material. This mixed-layer material consists of an ordered arrangement of serpentine-type (S) and brucite-type (B) layers in the sequence SBBSBB. Electron diffraction and imaging techniques show that the basal periodicity is approximately 17 A. Discrete crystals of SBB-type material are typically curved, of small size (less than 1 micron) and show structural variations similar to the serpentine group minerals. Mixed-layer material also occurs in association with planar serpentine. Characteristics of SBB-type material are not consistent with known terrestrial mixed-layer clay minerals. Evidence for formation by a condensation event or by subsequent alteration of pre-existing material is not yet apparent.

  17. Ordered structure upon deposition of Ge on the monolayer silicene on Ag(111)

    NASA Astrophysics Data System (ADS)

    Chen, Han-De; Lin, Dengsung

    The growth of monolayer silicene on Ag (111) has been a hot research in recent years. The akin structure of the same group IV element: Germanene, has also been grown successfully on different metal substrates. In this investigation, Ge has been deposited by molecular beam epitaxy on the monolayer-thick silicene grown on Ag(111). Low-temperature scanning tunneling microscopy (LT-STM) has been employed to observed the surface morphology and atomic structure. On the (3 x 3)Si phase, only one Ge adatom is found on each (3 x 3)Si unit cell on two different sites, A and B. The deposited Ge adatoms prefer to settle around a unit cell that has already incorporated one Ge adatom, thereby forming two domains (3 x 3)A and (3 x 3)B. Results on (r7 x r7)Si superstructure showing local ordering will also be presented.

  18. Structure, temperature effect and bonding order analysis of hydrated bromide clusters

    NASA Astrophysics Data System (ADS)

    Wen, Hui; Huang, Teng; Liu, Yi-Rong; Jiang, Shuai; Peng, Xiu-Qiu; Miao, Shou-Kui; Wang, Chun-Yu; Hong, Yu; Huang, Wei

    2016-11-01

    Halide ions have been received intense interest in charactering and understanding their implications in atmospheric chemistry since they are related to the ozone destruction in the stratosphere. In the current study, structures, thermodynamic properties, and spectroscopic signatures of hydrated bromide Br-(H2O)n (n = 1-8) clusters are thoroughly studied and compared with available studies, the new global minima were observed for the larger size Br-(H2O)7,8 clusters. The numbers of isomer increase with the increasing water molecules, considering the growing complexity, the isomer populations of each size clusters are provided under a wide temperature range, it was shown that different type of structures possess different temperature dependences. In addition, the bond order of different bond types of hydrated bromide has been systematically investigated for the first time.

  19. Structural orderings of anisotropically confined colloids interacting via a quasi-square-well potential

    NASA Astrophysics Data System (ADS)

    Campos, L. Q. Costa; Apolinario, S. W. S.

    2015-01-01

    We implement Brownian dynamics to investigate the static properties of colloidal particles confined anisotropically and interacting via a potential which can be tailored in a repulsive-attractive-respulsive fashion as the interparticle distance increases. A diverse number of structural phases are self-assembled, which were classified according to two aspects, that is, their macroscopic and microscopic patterns. Concerning the microscopic phases we found the quasicrystalline, triangular, square, and mixed orderings, where this latter is a combination of square and triangular cells in a 3 ×2 proportion, i.e., the so-called (33,42) Archimedian lattice. On the macroscopic level the system could self-organize in a compact or perforated single cluster surrounded or not by fringes. All the structural phases are summarized in detailed phases diagrams, which clearly show that the different phases are extended as the confinement potential becomes more anisotropic.

  20. Nonlinear Acoustic Response of an Aircraft Fuselage Sidewall Structure by a Reduced-Order Analysis

    NASA Technical Reports Server (NTRS)

    Przekop, Adam; Rizzi, Stephen A.; Groen, David S.

    2006-01-01

    A reduced-order nonlinear analysis of a structurally complex aircraft fuselage sidewall panel is undertaken to explore issues associated with application of such analyses to practical structures. Of primary interest is the trade-off between computational efficiency and accuracy. An approach to modal basis selection is offered based upon the modal participation in the linear regime. The nonlinear static response to a uniform pressure loading and nonlinear random response to a uniformly distributed acoustic loading are computed. Comparisons of the static response with a nonlinear static solution in physical degrees-of-freedom demonstrate the efficacy of the approach taken for modal basis selection. Changes in the modal participation as a function of static and random loading levels suggest a means for improvement in the basis selection.

  1. Charge-distribution effect of imaging molecular structure by high-order above-threshold ionization

    SciTech Connect

    Wang Bingbing; Fu Panming; Guo Yingchun; Zhang Bin; Zhao Zengxiu; Yan Zongchao

    2010-10-15

    Using a triatomic molecular model, we show that the interference pattern in the high-order above-threshold ionization (HATI) spectrum depends dramatically on the charge distribution of the molecular ion. Therefore the charge distribution can be considered a crucial factor for imaging a molecular geometric structure. Based on this study, a general destructive interference formula for each above-threshold ionization channel is obtained for a polyatomic molecule concerning the positions and charge values of each nuclei. Comparisons are made for the HATI spectra of CO{sub 2}, O{sub 2}, NO{sub 2}, and N{sub 2}. These results may shed light on imaging complex molecular structure by the HATI spectrum.

  2. Exchange and polarization effect in high-order harmonic imaging of molecular structures

    SciTech Connect

    Sukiasyan, Suren; Ivanov, Misha Yu.; Patchkovskii, Serguei; Smirnova, Olga; Brabec, Thomas

    2010-10-15

    We analyze the importance of exchange, polarization, and electron-electron correlation in high-order harmonic generation in molecules interacting with intense laser fields. We find that electron exchange can become particularly important for harmonic emission associated with intermediate excitations in the molecular ion. In particular, for orbitals associated with two-hole one-particle excitations, exchange effects can eliminate structure-related minima and maxima in the harmonic spectra. Laser-induced polarization of the neutral molecule may also have major effects on orbital structure-related minima and maxima in the harmonic spectra. Finally, we show how exchange terms in recombination can be viewed as a shakedownlike process induced by sudden electronic excitation in the ion.

  3. Patterns of Irregular Burials in Western Europe (1st-5th Century A.D.)

    PubMed Central

    Milella, Marco; Mariotti, Valentina; Belcastro, Maria Giovanna; Knüsel, Christopher J.

    2015-01-01

    Background Irregular burials (IB—burials showing features that contrast with the majority of others in their geographic and chronological context) have been the focus of archaeological study because of their relative rarity and enigmatic appearance. Interpretations of IB often refer to supposed fear of the dead or to social processes taking place in time-specific contexts. However, a comprehensive and quantitative analysis of IB for various geographical contexts is still lacking, a fact that hampers any discussion of these burials on a larger scale. Methods Here, we collected a bibliographic dataset of 375 IB from both Britain and Continental Europe, altogether spanning a time period from the 1st to the 5th century AD. Each burial has been coded according to ten dichotomous variables, further analyzed by means of chi-squared tests on absolute frequencies, non-metric multidimensional scaling, and cluster analysis. Results Even acknowledging the limits of this study, and in particular the bias represented by the available literature, our results point to interesting patterns. Geographically, IB show a contrast between Britain and Continental Europe, possibly related to historical processes specific to these regions. Different types of IB (especially prone depositions and depositions with the cephalic extremity displaced) present a series of characteristics and associations between features that permit a more detailed conceptualization of these occurrences from a socio-cultural perspective that aids to elucidate their funerary meaning. Conclusions and Significance Altogether, the present work stresses the variability of IB, and the need to contextualize them in a proper archaeological and historical context. It contributes to the discussion of IB by providing a specific geographic and chronological frame of reference that supports a series of hypotheses about the cultural processes possibly underlying their occurrence. PMID:26115408

  4. PREFACE: 1st Conference on Light and Particle Beams in Materials Science 2013 (LPBMS2013)

    NASA Astrophysics Data System (ADS)

    Kumai, Reiji; Murakami, Youichi

    2014-04-01

    From 29-31 August 2013, the 1st International Conference on Light and Particle Beams in Materials Science, LPBMS 2013, took place in the Tsukuba International Congress Center in the city of Tsukuba, Japan. The conference was a continuation of the international series Synchrotron Radiation in Materials Science (SRMS), which started in 1994. The last one, SRMS-7, was held in Oxford UK 11-14 July 2010, where the International Advisory Committee (IAC) recommended the conference be enlarged to incorporate Materials Research from Neutron, Muon, and Slow Positron Sources, as well as the science emerging from Synchrotron Light Sources. The conference brought together contributions from academics and industrial researchers with a diverse background and experience from the physics, chemistry and engineering communities. The topics covered in the LPBMS2013 include strongly correlated electron systems, magnetism and magnetic materials, soft matter, interface and surface defects, catalysts, biomaterials, and ceramics. In the 3-day scientific program, the conference consisted of 9 plenary talks, 33 invited talks, 20 oral presentations, and 126 poster presentations. We are pleased to publish the proceedings of the LPBMS2013 in this volume of Journal of Physics: Conference Series. This volume contains 58 papers representing the work that was presented and discussed at the conference. We hope that this volume will promote further development of this interdisciplinary materials research emerging from synchrotron light, neutron, muon, and slow positron sciences. Finally, we would like to thank the International Advisory Committee (Chair: Professor G N Greaves), sponsors, all the participants and contributors for making possible this international meeting of researchers. Reiji Kumai & Youichi Murakami Conference photograph Details of the program and organizing committees are available in the pdf

  5. Lying to ourselves: rationality, critical reflexivity, and the moral order as 'structured agency'.

    PubMed

    Goodman, Benny

    2016-07-01

    A report suggests that United States' army officers may engage in dishonest reporting regarding their compliance procedures. Similarly, nurses with espoused high ethical standards sometimes fail to live up to them and may do so while deceiving themselves about such practices. Reasons for lapses are complex. However, multitudinous managerial demands arising within 'technical and instrumental rationality' may impact on honest decision-making. This paper suggests that compliance processes, which operates within the social structural context of the technical and instrumental rationality manifest as 'managerialism', contributes to professional 'dishonesty' about lapses in care, sometimes through 'thoughtlessness'. The need to manage risk, measure, account, and control in order to deliver efficiency, effectiveness, and economy (technical rationality) thus has both unintended and dysfunctional consequences. Meeting compliance requirements may be mediated by factors such as the 'affect heuristic' and 'reflexive deliberations' as part of the 'structured agency' of nurses. It is the complexity of 'structured agency' which may explain why some nurses fail to respond to such things as sentinel events, a failure to recognize 'personal troubles' as 'public issues', a failure which to outsiders who expect rational and professional responses may seem inconceivable. There is a need to understand these processes so that nurses can critique the context in which they work and to move beyond either/or explanations of structure or agency for care failures, and professional dishonesty.

  6. Local structure order in Pd78Cu6Si16 liquid

    DOE PAGES

    Yue, G. Q.; Zhang, Y.; Sun, Y.; ...

    2015-02-05

    The short-range order (SRO) in Pd78Cu6Si16 liquid was studied by high energy x-ray diffraction and ab initio molecular dynamics (MD) simulations. The calculated pair correlation functions at different temperatures agree well with the experimental results. The partial pair correlation functions from ab intio MD simulations indicate that Si atoms prefer to be uniformly distributed while Cu atoms tend to aggregate. By performing structure analysis using Honeycutt-Andersen index, Voronoi tessellation, and atomic cluster alignment method, we show that the icosahedron and face-centered cubic SRO increase upon cooling. The dominant SRO is the Pd-centered Pd9Si2 motif, namely the structure of which motifmore » is similar to the structure of Pd-centered clusters in the Pd9Si2 crystal. The study further confirms the existence of trigonal prism capped with three half-octahedra that is reported as a structural unit in Pd-based amorphous alloys. The majority of Cu-centered clusters are icosahedra, suggesting that the presence of Cu is benefit to promote the glass forming ability.« less

  7. Structural refinement of Pbnm-type perovskite films from analysis of half-order diffraction peaks

    NASA Astrophysics Data System (ADS)

    Brahlek, M.; Choquette, A. K.; Smith, C. R.; Engel-Herbert, R.; May, S. J.

    2017-01-01

    Engineering structural modifications of epitaxial perovskite thin films is an effective route to induce new functionalities or enhance existing properties due to the close relation of the electronic ground state to the local bonding environment. As such, there is a necessity to systematically refine and precisely quantify these structural displacements, particularly those of the oxygen octahedra, which is a challenge due to the weak scattering factor of oxygen and the small diffraction volume of thin films. Here, we present an optimized algorithm to refine the octahedral rotation angles using specific unit-cell-doubling half-order diffraction peaks for the a-a-c+ Pbnm structure. The oxygen and A-site positions can be obtained by minimizing the squared-error between calculated and experimentally determined peak intensities using the (1/2 1/2 3/2) and (1/2 1/2 5/2) reflections to determine the rotation angle α about in-plane axes and the (1/2 5/2 1), (1/2 3/2 1), and (1/2 3/2 2) reflections to determine the rotation angle γ about the out-of-plane axis, whereas the convoluting A-site displacements associated with the octahedral rotation pattern can be determined using (1 1 1/2) and (1/2 1/2 1/2) reflections to independently determine A-site positions. The validity of the approach is confirmed by applying the refinement procedure to determine the A-site and oxygen displacements in a NdGaO3 single crystal. The ability to refine both the oxygen and A-site displacements relative to the undistorted perovskite structure enables a deeper understanding of how structural modifications alter functionality properties in epitaxial films exhibiting this commonly occurring crystal structure.

  8. Effects of Membrane Charge and Order on Membrane Binding of the Retroviral Structural Protein Gag

    PubMed Central

    Wen, Yi; Dick, Robert A.

    2016-01-01

    ABSTRACT The retroviral structural protein Gag binds to the inner leaflet of the plasma membrane (PM), and many cellular proteins do so as well. We used Rous sarcoma virus (RSV) Gag together with membrane sensors to study the principles governing peripheral protein membrane binding, including electrostatics, specific recognition of phospholipid headgroups, sensitivity to phospholipid acyl chain compositions, preference for membrane order, and protein multimerization. We used an in vitro liposome-pelleting assay to test protein membrane binding properties of Gag, the well-characterized MARCKS peptide, a series of fluorescent electrostatic sensor proteins (mNG-KRn), and the specific phosphatidylserine (PS) binding protein Evectin2. RSV Gag and mNG-KRn bound well to membranes with saturated and unsaturated acyl chains, whereas the MARCKS peptide and Evectin2 preferentially bound to membranes with unsaturated acyl chains. To further discriminate whether the primary driving force for Gag membrane binding is electrostatic interactions or preference for membrane order, we measured protein binding to giant unilamellar vesicles (GUVs) containing the same PS concentration in both disordered (Ld) and ordered (Lo) phases. RSV Gag and mNG-KRn membrane association followed membrane charge, independent of membrane order. Consistent with pelleting data, the MARCKS peptide showed preference for the Ld domain. Surprisingly, the PS sensor Evectin2 bound to the PS-rich Ld domain with 10-fold greater affinity than to the PS-rich Lo domain. In summary, we found that RSV Gag shows no preference for membrane order, while proteins with reported membrane-penetrating domains show preference for disordered membranes. IMPORTANCE Retroviral particles assemble on the PM and bud from infected cells. Our understanding of how Gag interacts with the PM and how different membrane properties contribute to overall Gag assembly is incomplete. This study examined how membrane charge and membrane order

  9. The role of the nucleosome acidic patch in modulating higher order chromatin structure.

    PubMed

    Kalashnikova, Anna A; Porter-Goff, Mary E; Muthurajan, Uma M; Luger, Karolin; Hansen, Jeffrey C

    2013-05-06

    Higher order folding of chromatin fibre is mediated by interactions of the histone H4 N-terminal tail domains with neighbouring nucleosomes. Mechanistically, the H4 tails of one nucleosome bind to the acidic patch region on the surface of adjacent nucleosomes, causing fibre compaction. The functionality of the chromatin fibre can be modified by proteins that interact with the nucleosome. The co-structures of five different proteins with the nucleosome (LANA, IL-33, RCC1, Sir3 and HMGN2) recently have been examined by experimental and computational studies. Interestingly, each of these proteins displays steric, ionic and hydrogen bond complementarity with the acidic patch, and therefore will compete with each other for binding to the nucleosome. We first review the molecular details of each interface, focusing on the key non-covalent interactions that stabilize the protein-acidic patch interactions. We then propose a model in which binding of proteins to the nucleosome disrupts interaction of the H4 tail domains with the acidic patch, preventing the intrinsic chromatin folding pathway and leading to assembly of alternative higher order chromatin structures with unique biological functions.

  10. Structurally ordered Pt–Zn/C series nanoparticles as efficient anode catalysts for formic acid electrooxidation

    SciTech Connect

    Zhu, Jing; Zheng, Xin; Wang, Jie; Wu, Zexing; Han, Lili; Lin, Ruoqian; Xin, Huolin L.; Wang, Deli

    2015-09-15

    Controlling the size, composition, and structure of bimetallic nanoparticles is of particular interest in the field of electrocatalysts for fuel cells. In the present work, structurally ordered nanoparticles with intermetallic phases of Pt3Zn and PtZn have been successfully synthesized via an impregnation reduction method, followed by post heat-treatment. The Pt3Zn and PtZn ordered intermetallic nanoparticles are well dispersed on a carbon support with ultrasmall mean particle sizes of ~5 nm and ~3 nm in diameter, respectively, which are credited to the evaporation of the zinc element at high temperature. These catalysts are less susceptible to CO poisoning relative to Pt/C and exhibited enhanced catalytic activity and stability toward formic acid electrooxidation. The mass activities of the as-prepared catalysts were approximately 2 to 3 times that of commercial Pt at 0.5 V (vs. RHE). As a result, this facile synthetic strategy is scalable for mass production of catalytic materials.

  11. Self-association of collagen triple helic peptides into higher order structures.

    PubMed

    Kar, Karunakar; Amin, Priyal; Bryan, Michael A; Persikov, Anton V; Mohs, Angela; Wang, Yuh-Hwa; Brodsky, Barbara

    2006-11-03

    Interest in self-association of peptides and proteins is motivated by an interest in the mechanism of physiologically higher order assembly of proteins such as collagen as well as the mechanism of pathological aggregation such as beta-amyloid formation. The triple helical form of (Pro-Hyp-Gly)(10), a peptide that has proved a useful model for molecular features of collagen, was found to self-associate, and its association properties are reported here. Turbidity experiments indicate that the triple helical peptide self-assembles at neutral pH via a nucleation-growth mechanism, with a critical concentration near 1 mM. The associated form is more stable than individual molecules by about 25 degrees C, and the association is reversible. The rate of self-association increases with temperature, supporting an entropically favored process. After self-association, (Pro-Hyp-Gly)(10) forms branched filamentous structures, in contrast with the highly ordered axially periodic structure of collagen fibrils. Yet a number of characteristics of triple helix assembly for the peptide resemble those of collagen fibril formation. These include promotion of fibril formation by neutral pH and increasing temperature; inhibition by sugars; and a requirement for hydroxyproline. It is suggested that these similar features for peptide and collagen self-association are based on common lateral underlying interactions between triple helical molecules mediated by hydrogen-bonded hydration networks involving hydroxyproline.

  12. Structurally ordered Pt–Zn/C series nanoparticles as efficient anode catalysts for formic acid electrooxidation

    DOE PAGES

    Zhu, Jing; Zheng, Xin; Wang, Jie; ...

    2015-09-15

    Controlling the size, composition, and structure of bimetallic nanoparticles is of particular interest in the field of electrocatalysts for fuel cells. In the present work, structurally ordered nanoparticles with intermetallic phases of Pt3Zn and PtZn have been successfully synthesized via an impregnation reduction method, followed by post heat-treatment. The Pt3Zn and PtZn ordered intermetallic nanoparticles are well dispersed on a carbon support with ultrasmall mean particle sizes of ~5 nm and ~3 nm in diameter, respectively, which are credited to the evaporation of the zinc element at high temperature. These catalysts are less susceptible to CO poisoning relative to Pt/Cmore » and exhibited enhanced catalytic activity and stability toward formic acid electrooxidation. The mass activities of the as-prepared catalysts were approximately 2 to 3 times that of commercial Pt at 0.5 V (vs. RHE). As a result, this facile synthetic strategy is scalable for mass production of catalytic materials.« less

  13. The structure and ordering of {epsilon}-MnO{sub 2}

    SciTech Connect

    Kim, Chang-Hoon; Akase, Zentaro; Zhang Lichun; Heuer, Arthur H. . E-mail: heuer@case.edu; Newman, Aron E.; Hughes, Paula J.

    2006-03-15

    The presence of {epsilon}-MnO{sub 2} as a major component of electrolytic manganese dioxide (EMD) has been demonstrated by a combined X-ray diffraction/transmission electron microscopy (TEM) study. {epsilon}-MnO{sub 2} usually has a partially ordered defect NiAs structure containing 50% cation vacancies; these vacancies can be fully ordered by a low temperature (200 deg. C) heat treatment to form a pseudohexagonal but monoclinic superlattice. Numerous fine-scale anti-phase domain boundaries are present in ordered {epsilon}-MnO{sub 2} and cause extensive peak broadening and a massive shift of a very intense, 0.37 nm superlattice peak. This suggests a radically different explanation of the ubiquitous, very broad {approx}0.42 nm peak ({approx}21-22 deg. 2{theta}, CuK{alpha} radiation) in EMDs, which heretofore has been attributed to Ramsdellite containing numerous planar defects. This work confirms the multi-phase model of equiaxed EMDs proposed by Heuer et al. [ITE Lett. 1(6) (2000) B50; Proc. Seventh Int. Symp. Adv. Phys. Fields 92 (2001)], rather than the defective single-phase model of Chabre and Pannetier [Prog. Solid State Chem. 23 (1995) 1] and Bowden et al. [ITE Lett. 4(1) (2003) B1].

  14. SMARCA4 regulates gene expression and higher-order chromatin structure in proliferating mammary epithelial cells

    PubMed Central

    Barutcu, A. Rasim; Lajoie, Bryan R.; Fritz, Andrew J.; McCord, Rachel P.; Nickerson, Jeffrey A.; van Wijnen, Andre J.; Lian, Jane B.; Stein, Janet L.; Dekker, Job; Stein, Gary S.; Imbalzano, Anthony N.

    2016-01-01

    The packaging of DNA into chromatin plays an important role in transcriptional regulation and nuclear processes. Brahma-related gene-1 SMARCA4 (also known as BRG1), the essential ATPase subunit of the mammalian SWI/SNF chromatin remodeling complex, uses the energy from ATP hydrolysis to disrupt nucleosomes at target regions. Although the transcriptional role of SMARCA4 at gene promoters is well-studied, less is known about its role in higher-order genome organization. SMARCA4 knockdown in human mammary epithelial MCF-10A cells resulted in 176 up-regulated genes, including many related to lipid and calcium metabolism, and 1292 down-regulated genes, some of which encode extracellular matrix (ECM) components that can exert mechanical forces and affect nuclear structure. ChIP-seq analysis of SMARCA4 localization and SMARCA4-bound super-enhancers demonstrated extensive binding at intergenic regions. Furthermore, Hi-C analysis showed extensive SMARCA4-mediated alterations in higher-order genome organization at multiple resolutions. First, SMARCA4 knockdown resulted in clustering of intra- and inter-subtelomeric regions, demonstrating a novel role for SMARCA4 in telomere organization. SMARCA4 binding was enriched at topologically associating domain (TAD) boundaries, and SMARCA4 knockdown resulted in weakening of TAD boundary strength. Taken together, these findings provide a dynamic view of SMARCA4-dependent changes in higher-order chromatin organization and gene expression, identifying SMARCA4 as a novel component of chromatin organization. PMID:27435934

  15. Crystal structure refinement and Mössbauer spectroscopy of an ordered, triclinic clinochlore

    USGS Publications Warehouse

    Smyth, Joseph R.; Dyar, M. Darby; May, Howard M.; Bricker, Owen P.; Acker, James G.

    1997-01-01

    The crystal structure of a natural, ordered IIb-4 triclinic clinochlore has been refined in space group C1¯ from 4282 unique X-ray intensity measurements of which 3833 are greater than 3 times the statistical counting error (3σ). Unit cell parameters are a = 5.3262(6) Å; b = 9.226(1) Å; c = 14.334(3) Å; α = 90.56(2)°; β = 97.47(2)°; and γ = 89.979(9)°, which represents the greatest deviation from monoclinic symmetry yet recorded for a triclinic chlorite. The final weighted R is 0.059 for reflections with I > 3σ and 0.064 for all reflections. The chemical formula is (Mg0.966Fe0.034)M1(Mg0.962Fe0.038)M22(Si2.96Al1.04)O10 (OH)2(Mg0.996Fe0.004)M32(Al0.841FeIII0.102Cr0.004Ti0.004)M4(OH)6, which is consistent with electron microprobe (EMP), wet chemical analyses, Mössbauer spectroscopy and X-ray structure refinement. The high degree of ordering of the divalent versus trivalent octahedral cations in the interlayer is noteworthy, with FeIII and Al in M4 and virtually no Fe in M3. In the 2:1 layer, M1 and M2 each contain similar amounts of Fe. The 2 tetrahedral sites have nearly identical mean oxygen distances and volumes, and thus show no evidence of long-range cation ordering.

  16. Second-order structure function scaling derivation from the Euler and magnetohydrodynamic equations.

    PubMed

    Beronov, Kamen N

    2002-06-01

    An anomalous scaling paradigm that has recently come to be canonical has two features limiting its range of applicability: The driving and driven fields are separated dyamically and the driving field statistics is prescribed, in terms of the (inertial subrange) scaling of its second-order structure functions and of white-noise statistics in time. Then the spectrum of scaling exponents for the driven field, scalar or vector, depends parametrically on the driving. Here, the coupling of turbulent vorticity to the driving velocity field is considered. Using simple approximations and no white-noise statistics assumption, equations are derived for the evolution of two-point second-order correlations. The turbulent magnetohydrodynamic (MHD) case is treated in an analogous fashion. In the neutral case, the kinematic coupling between vorticity and velocity leads to a unique prediction for the scaling exponent of the second-order structure functions of the two turbulent fields. The velocity scaling exponent estimate is zeta(2)=3(1/2)-1 approximately equal to 0.732, i.e., close to experimental data. Unlike Kolmogorov scaling, this result is systematically derived from the Euler equations. The analogous scaling of MHD fields is now treated beyond the dynamo theory approximation. In contrast to the uniqueness found in the neutral case, predicted MHD scalings depend on one parameter, similar to the "plasma beta" parameter beta(T) relating kinetic to magnetic energy. The nature of predicted dependence of inertial-range scaling exponents on beta(T) agrees with an observed dichotomy between high-beta(T) and low-beta(T) turbulence regimes.

  17. 1(st) EMBL/DFG Women in Science Network Conference Heidelberg 2016: From Genes, Cells and the Immune System towards Therapies - Meeting Report.

    PubMed

    Stripecke, Renata; Gouttefangeas, Cécile; Förster, Irmgard

    2016-11-01

    The 1(st) EMBL/DFG Women in Science (WiS) Conference "From Genes, Cells and the Immune System towards Therapies" was held on 19(th) - 20(th) September 2016 in Heidelberg, Germany. The WiS conference was funded by nine Collaborative Research Centers (CRCs) of the German Research Council (Deutsche Forschungsgemeinschaft, DFG; Table 1) and benefited from an outstanding hosting environment at the Advanced Training Center of the European Molecular Biology Laboratory (EMBL). Scientific talks focused at genetic, cellular and immunologic mechanisms, and immune therapy, and progress from all stages of development covering basic research to clinical developments was described. The presentations were embedded between structured networking sessions and a round table discussion with representatives of the DFG, EMBL, European Molecular Biology Organisation (EMBO), and the German Society of Immunology (DGfI).

  18. Hydrated goethite (alpha-FeOOH) (100) interface structure: Ordered water and surface functional groups.

    SciTech Connect

    Ghose, S.K.; Waychunas, G.A.; Trainor, T.P.; Eng, P.J.

    2009-12-15

    Goethite({alpha}-FeOOH), an abundant and highly reactive iron oxyhydroxide mineral, has been the subject of numerous stud-ies of environmental interface reactivity. However, such studies have been hampered by the lack of experimental constraints on aqueous interface structure, and especially of the surface water molecular arrangements. Structural information of this type is crucial because reactivity is dictated by the nature of the surface functional groups and the structure or distribution of water and electrolyte at the solid-solution interface. In this study we have investigated the goethite(100) surface using surface diffraction techniques, and have determined the relaxed surface structure, the surface functional groups, and the three dimensional nature of two distinct sorbed water layers. The crystal truncation rod (CTR) results show that the interface structure consists of a double hydroxyl, double water terminated interface with significant atom relaxations. Further, the double hydroxyl terminated surface dominates with an 89% contribution having a chiral subdomain structure on the(100) cleavage faces. The proposed interface stoichiometry is ((H{sub 2}O)-(H{sub 2}O)-OH{sub 2}-OH-Fe-O-O-Fe-R) with two types of terminal hydroxyls; a bidentate (B-type) hydroxo group and a monodentate (A-type) aquo group. Using the bond-valence approach the protonation states of the terminal hydroxyls are predicted to be OH type (bidentate hydroxyl with oxygen coupled to two Fe{sup 3+} ions) and OH{sub 2} type (monodentate hydroxyl with oxygen tied to only one Fe{sup 3+}). A double layer three dimensional ordered water structure at the interface was determined from refinement of fits to the experimental data. Application of bond-valence constraints to the terminal hydroxyls with appropriate rotation of the water dipole moments allowed a plausible dipole orientation model as predicted. The structural results are discussed in terms of protonation and H-bonding at the interface

  19. Higher Order Amyloid Fibril Structure by MAS NMR and DNP Spectroscopy

    PubMed Central

    Debelouchina, Galia T.; Bayro, Marvin J.; Fitzpatrick, Anthony W.; Ladizhansky, Vladimir; Colvin, Michael T.; Caporini, Marc A.; Jaroniec, Christopher P.; Bajaj, Vikram S.; Rosay, Melanie; MacPhee, Cait E.; Vendruscolo, Michele; Maas, Werner E.; Dobson, Christopher M.; Griffin, Robert G.

    2014-01-01

    Protein magic angle spinning (MAS) NMR spectroscopy has generated structural models of several amyloid fibril systems, thus providing valuable information regarding the forces and interactions that confer the extraordinary stability of the amyloid architecture. Despite these advances, however, obtaining atomic resolution information describing the higher levels of structural organization within the fibrils remains a significant challenge. Here, we detail MAS NMR experiments and sample labeling schemes designed specifically to probe such higher order amyloid structure and we have applied them to the fibrils formed by an eleven-residue segment of the amyloidogenic protein transthyretin (TTR(105-115)). These experiments have allowed us to define unambiguously not only the arrangement of the peptide β-strands into β-sheets but also the β-sheet interfaces within each protofilament, and in addition to identify the nature of the protofilament-to-protofilament contacts that lead to the formation of the complete fibril. Our efforts have resulted in 111 quantitative distance and torsion angle restraints (10 per residue) that describe the various levels of structure organization. The experiments benefited extensively from the use of dynamic nuclear polarization (DNP), which in some cases allowed us to shorten the data acquisition time from days to hours and to improve significantly the signal-to-noise ratios of the spectra. The β-sheet interface and protofilament interactions identified here revealed local variations in the structure that result in multiple peaks for the exposed N- and C-termini of the peptide and in inhomogeneous line-broadening for the side-chains buried within the interior of the fibrils. PMID:24304221

  20. Scaffolding, ladders, chains, and rare ferrimagnetism in intermetallic borides: electronic structure calculations and magnetic ordering.

    PubMed

    Brgoch, Jakoah; Goerens, Christian; Fokwa, Boniface P T; Miller, Gordon J

    2011-05-04

    The electronic structures of "Ti(9-n)Fe(2+n)Ru(18)B(8)" (n=0, 0.5, 1, 2, 3), in connection to the recently synthesized Ti(9-n)Fe(2+n)Ru(18)B(8) (n=1, 2), have been investigated and analyzed using LSDA tight-binding calculations to elucidate the distribution of Fe and Ti, to determine the maximum Fe content, and to explore possible magnetic structures to interpret experimental magnetization results. Through a combination of calculations on specific models and using the rigid band approximation, which is validated by the DOS curves for "Ti(9-n)Fe(2+n)Ru(18)B(8)" (n=0, 0.5, 1, 2, 3), mixing of Fe and Ti is anticipated at both the 2b- and 4h-chain sites. The model "Ti(8.5)Fe(2.5)Ru(18)B(8)" (n=0.5) revealed that both Brewer-type Ti-Ru interactions as well as ligand field splitting of the Fe 3d orbitals regulated the observed valence electron counts between 220 and 228 electrons/formula unit. Finally, models of magnetic structures were created using "Ti(6)Fe(5)Ru(18)B(8)" (n=3). A rigid band analysis of the LSDA DOS curves concluded preferred ferromagnetic ordering at low Fe content (n≤0.75) and ferrimagnetic ordering at higher Fe content (n>0.75). Ferrimagnetism arises from antiferromagnetic exchange coupling in the scaffold of Fe1-ladder and 4h-chain sites.

  1. The asymptotic structure of nonpremixed methane-air flames with oxidizer leakage of order unity

    SciTech Connect

    Seshadri, K.; Ilincic, N.

    1995-04-01

    The asymptotic structure of nonpremixed methane-air flames is analyzed using a reduced three-step mechanism. The three global steps of this reduced mechanism are similar to those used in a previous analysis. The rates of the three steps are related to the rates of the elementary reactions appearing in the C{sub 1}-mechanism for oxidation of methane. The present asymptotic analysis differs from the previous analysis in that oxygen is presumed to leak from the reaction zone to the leading order. Chemical reactions are presumed to occur in three asymptotically thin layers: the fuel-consumption layer, the nonequilibrium layer for the water-gas shift reaction and the oxidation layer. The structure of the fuel-consumption layer is presumed to be identical to that analyzed previously and in this layer the fuel reacts with the radicals to form primarily CO and H{sub 2} and some CO{sub 2} and H{sub 2}O In the oxidation layer the CO and H{sub 2} formed in the fuel-consumption layer are oxidized to CO{sub 2} and H{sub 2}O. The present analysis of the oxidation layer is simpler than the previous analysis because the variation in the values of the concentration of oxygen can be neglected to the leading order and this is a better representation of the flame structure in the vicinity of the critical conditions of extinction. The predictions of the critical conditions of extinction of the present model are compared with the predictions of previous models. It is anticipated that the present simple model can be easily extended to more complex problems such as pollutant formation in flames or chemical inhibition of flames.

  2. Creating Research-Rich Learning Experiences and Quantitative Skills in a 1st Year Earth Systems Course

    NASA Astrophysics Data System (ADS)

    King, P. L.; Eggins, S.; Jones, S.

    2014-12-01

    We are creating a 1st year Earth Systems course at the Australian National University that is built around research-rich learning experiences and quantitative skills. The course has top students including ≤20% indigenous/foreign students; nonetheless, students' backgrounds in math and science vary considerably posing challenges for learning. We are addressing this issue and aiming to improve knowledge retention and deep learning by changing our teaching approach. In 2013-2014, we modified the weekly course structure to a 1hr lecture; a 2hr workshop with hands-on activities; a 2hr lab; an assessment piece covering all face-to-face activities; and a 1hr tutorial. Our new approach was aimed at: 1) building student confidence with data analysis and quantitative skills through increasingly difficult tasks in science, math, physics, chemistry, climate science and biology; 2) creating effective learning groups using name tags and a classroom with 8-person tiered tables; 3) requiring students to apply new knowledge to new situations in group activities, two 1-day field trips and assessment items; 4) using pre-lab and pre-workshop exercises to promote prior engagement with key concepts; 5) adding open-ended experiments to foster structured 'scientific play' or enquiry and creativity; and 6) aligning the assessment with the learning outcomes and ensuring that it contains authentic and challenging southern hemisphere problems. Students were asked to design their own ocean current experiment in the lab and we were astounded by their ingenuity: they simulated the ocean currents off Antarctica; varied water density to verify an equation; and examined the effect of wind and seafloor topography on currents. To evaluate changes in student learning, we conducted surveys in 2013 and 2014. In 2014, we found higher levels of student engagement with the course: >~80% attendance rates and >~70% satisfaction (20% neutral). The 2014 cohort felt that they were more competent in writing

  3. Size, separation, structural order, and mass density of molecules packing in water and ice.

    PubMed

    Huang, Yongli; Zhang, Xi; Ma, Zengsheng; Li, Wen; Zhou, Yichun; Zhou, Ji; Zheng, Weitao; Sun, Chang Q

    2013-10-21

    The structural symmetry and molecular separation in water and ice remain uncertain. We present herewith a solution to unifying the density, the structure order and symmetry, the size (H-O length dH), and the separation (d(OO) = d(L) + d(H) or the O:H length d(L)) of molecules packing in water and ice in terms of statistic mean. This solution reconciles: i) the d(L) and the d(H) symmetrization of the O:H-O bond in compressed ice, ii) the d(OO) relaxation of cooling water and ice and, iii) the d(OO) expansion of a dimer and between molecules at water surface. With any one of the d(OO), the density ρ(g·cm⁻³), the d(L), and the d(H), as a known input, one can resolve the rest quantities using this solution that is probing conditions or methods independent. We clarified that: i) liquid water prefers statistically the mono-phase of tetrahedrally-coordinated structure with fluctuation, ii) the low-density phase (supersolid phase as it is strongly polarized with even lower density) exists only in regions consisting molecules with fewer than four neighbors and, iii) repulsion between electron pairs on adjacent oxygen atoms dictates the cooperative relaxation of the segmented O:H-O bond, which is responsible for the performance of water and ice.

  4. Facile synthesis of hydrogenated carbon nanospheres with a graphite-like ordered carbon structure.

    PubMed

    Xiao, Junping; Yao, Mingguang; Zhu, Kai; Zhang, Dong; Zhao, Shijia; Lu, Shuangchen; Liu, Bo; Cui, Wen; Liu, Bingbing

    2013-11-21

    We report a synthesis of hydrogenated carbon nanospheres (HCNSs) via a facile solvothermal route at low temperatures (60-100 °C), using CHCl3 as the carbon source and potassium (K) as the reductant. Selective cleavage of the relatively lower stable C-Cl bonds (compared to C-H bonds) of the carbon precursor (CHCl3) by K metal results in the growth of HCNSs. The diameter of HCNSs ranges from 40 to 90 nm. The HCNSs have a graphite-like ordered carbon structure in spite of their high degree of hydrogenation. The HCNSs exhibit an average Brunauer-Emmett-Teller (BET) surface area of 43 m(2) g(-1), containing a small amount of mesopores and macropores in the structure. The nanospheres' sample as an anode material for lithium ion batteries (LIBs) has been studied. It exhibits a high discharge capacity (3539 mA h g(-1) in the first cycle, 978 mA h g(-1) after 50 cycles) and good cycling stability, demonstrating advantages as a promising candidate for anode materials in LIBs. The high capacity of the HCNSs is due to their unique nanostructures and high percentage hydrogenation, as well as hydrogenation induced structural defects.

  5. Getting in (and out of) the loop: regulating higher order telomere structures

    PubMed Central

    Luke-Glaser, Sarah; Poschke, Heiko; Luke, Brian

    2012-01-01

    The DNA at the ends of linear chromosomes (the telomere) folds back onto itself and forms an intramolecular lariat-like structure. Although the telomere loop has been implicated in the protection of chromosome ends from nuclease-mediated resection and unscheduled DNA repair activities, it potentially poses an obstacle to the DNA replication machinery during S-phase. Therefore, the coordinated regulation of telomere loop formation, maintenance, and resolution is required in order to establish a balance between protecting the chromosome ends and promoting their duplication prior to cell division. Until recently, the only factor known to influence telomere looping in human cells was TRF2, a component of the shelterin complex. Recent work in yeast and mouse cells has uncovered additional regulatory factors that affect the loop structure at telomeres. In the following “perspective” we outline what is known about telomere looping and highlight the latest results regarding the regulation of this chromosome end structure. We speculate about how the manipulation of the telomere loop may have therapeutic implications in terms of diseases associated with telomere dysfunction and uncontrolled proliferation. PMID:23226680

  6. Topography-Correlated Confocal Raman Microscopy with Cylindrical Vector Beams for Probing Nanoscale Structural Order.

    PubMed

    Wang, Xiao; Broch, Katharina; Scholz, Reinhard; Schreiber, Frank; Meixner, Alfred J; Zhang, Dai

    2014-04-03

    Cylindrical vector beams, such as radially or azimuthally polarized doughnut beams, are combined with topography studies of pentacene thin films, allowing us to correlate Raman spectroscopy with intermolecular interactions depending on the particular pentacene polymorph. Polarization-dependent Raman spectra of the C-H bending vibrations are resolved layer by layer within a thin film of ∼20 nm thickness. The variation of the Raman peak positions indicates changes in the molecular orientation and in the local environment at different heights of the pentacene film. With the assistance of a theoretical model based on harmonic oscillator and perturbation theory, our method reveals the local structural order and the polymorph at different locations within the same pentacene thin film, depending mainly on its thickness. In good agreement with the crystallographic structures reported in the literature, our observations demonstrate that the first few monolayers grown in a structure are closer to the thin-film phase, but for larger film thicknesses, the morphology evolves toward the crystal-bulk phase with a larger tilting angle of the pentacene molecules against the substrate normal.

  7. Fabrication of continuous highly ordered mesoporous silica nanofibre with core/sheath structure and its application as catalyst carrier

    NASA Astrophysics Data System (ADS)

    Wang, Haiyan; Wu, Dayong; Li, Dongzhou; Niu, Zhongwei; Chen, Yuzhe; Tang, Daihua; Wu, Min; Cao, Jianhua; Huang, Yong

    2011-09-01

    A core/sheath structured mesoporous silica nanofibre was prepared by coaxial electrospinning combined with the solvent evaporation induced surfactant assembly process. The characterization has given convincing evidence for the continuous highly ordered mesoporous structures, and its catalyst application was tested.A core/sheath structured mesoporous silica nanofibre was prepared by coaxial electrospinning combined with the solvent evaporation induced surfactant assembly process. The characterization has given convincing evidence for the continuous highly ordered mesoporous structures, and its catalyst application was tested. Electronic supplementary information (ESI) available: Synthesis of highly ordered mesoporous silica nanofibres and immobilized catalysts, characterization, and photosensitized oxidation. See DOI: 10.1039/c1nr10547g

  8. SU-E-T-188: Commission of World 1st Commercial Compact PBS Proton System

    SciTech Connect

    Ding, X; Patel, B; Song, X; Syh, J; Syh, J; Zhang, J; Freund, D; Rosen, L; Wu, H

    2015-06-15

    Purpose: ProteusONE is the 1st commercial compact PBS proton system with an upstream scanning gantry and C230 cyclotron. We commissioned XiO and Raystation TPS simultaneously. This is a summary of beam data collection, modeling, and verification and comparison without range shiter for this unique system with both TPS. Methods: Both Raystation and XiO requires the same measurements data: (i) integral depth dose(IDDs) of single central spot measured in water tank; (ii) absolute dose calibration measured at 2cm depth of water with mono-energetic 10×10 cm2 field with spot spacing 4mm, 1MU per spot; and (iii) beam spot characteristics in air at 0cm and ± 20cm away from ISO. To verify the beam model for both TPS, same 15 cube plans were created to simulate different treatment sites, target volumes and positions. PDDs of each plan were measured using a Multi-layer Ionization Chamber(MLIC), absolute point dose verification were measured using PPC05 in water tank and patient-specific QA were measured using MatriXX PT, a 2D ion chamber array. Results: All the point dose measurements at midSOBP were within 2% for both XiO and Raystation. However, up to 5% deviations were observed in XiO’s plans at shallow depth while within 2% in Raystation plans. 100% of the ranges measured were within 1 mm with maximum deviation of 0.5 mm. 20 patient specific plan were generated and measured in 3 planes (distal, proximal and midSOBP) in Raystation. The average of gamma index is 98.7%±3% with minimum 94% Conclusions: Both TPS were successfully commissioned and can be safely deployed for clinical use for ProteusONE. Based on our clinical experience in PBS planning, user interface, function and workflow, we preferably use Raystation as our main clinical TPS. Gamma Index >95% at 3%/3 mm criteria is our institution action level for patient specific plan QAs.

  9. PREFACE: 1st-2nd Young Researchers Meetings in Rome - Proceedings

    NASA Astrophysics Data System (ADS)

    YRMR Organizing Committee; Cannuccia, E.; Mazzaferro, L.; Migliaccio, M.; Pietrobon, D.; Stellato, F.; Veneziani, M.

    2011-03-01

    Students in science, particularly in physics, face a fascinating and challenging future. Scientists have proposed very interesting theories, which describe the microscopic and macroscopic world fairly well, trying to match the quantum regime with cosmological scales. Between the extremes of this scenario, biological phenomena in all their complexity take place, challenging the laws we observe in the atomic and sub-atomic world. More and more accurate and complex experiments have been devised and these are now going to test the paradigms of physics. Notable experiments include: the Large Hadronic Collider (LHC), which is going to shed light on the physics of the Standard Model of Particles and its extensions; the Planck-Herschel satellites, which target a very precise measurement of the properties of our Universe; and the Free Electron Lasers facilities, which produce high-brilliance, ultrafast X-ray pulses, allowing the investigation of the fundamental processes of solid state physics, chemistry, and biology. These projects are the result of huge collaborations spread across the world, involving scientists belonging to different and complementary research fields: physicists, chemists, biologists and others, keen to make the best of these extraordinary laboratories. Even though each branch of science is experiencing a process of growing specialization, it is very important to keep an eye on the global picture, remaining aware of the deep interconnections between inherent fields. This is even more crucial for students who are beginning their research careers. These considerations motivated PhD students and young post-docs connected to the Roman scientific research area to organize a conference, to establish the background and the network for interactions and collaborations. This resulted in the 1st and 2nd Young Researchers Meetings in Rome (http://ryrm.roma2.infn.it), one day conferences aimed primarily at graduate students and post-docs, working in physics in Italy

  10. PREFACE: 1st International Conference on Mechanical Engineering Research 2011 (ICMER2011)

    NASA Astrophysics Data System (ADS)

    Abu Bakar, Rosli

    2012-09-01

    The year 2010 represented a significant milestone in the history of the Mechanical Engineering community with the organization of the first and second national level conferences (National Conference in Mechanical Engineering for Research, 1st and 2nd NCMER) at Universiti Malaysia Pahang on 26-27 May and 3-4 December 2010. The conferences attracted a large number of delegates from different premier academic and research institutions in the country to participate and share their research experiences at the conference. The International Conference on Mechanical Engineering Research (ICMER 2011) followed on from the first and second conferences due to good support from researchers. The ICMER 2011 is a good platform for researchers and postgraduate students to present their latest finding in research. The conference covers a wide range of topics including the internal combustion engine, machining processes, heat and mass transfer, fuel, biomechanical analysis, aerodynamic analysis, thermal comfort, computational techniques, design and simulation, automotive transmission, optimization techniques, hybrid electric vehicles, engine vibration, heat exchangers, finite element analysis, computational fluid dynamics, green energy, vehicle dynamics renewable energy, combustion, design, product development, advanced experimentation techniques, to name but a few. The international conference has helped to bridge the gap between researchers working at different institutions and in different countries to share their knowledge and has helped to motivate young scientists with their research. This has also given some clear direction for further research from the deliberations of the conference. Several people have contributed in different ways to the success of the conference. We thank the keynote speakers and all authors of the contributed papers, for the cooperation rendered to us in the publication of the CD conference proceedings. In particular, we would like to place on record our

  11. PREFACE: 1st International Conference on Sensing for Industry, Control, Communication & Security Technologies

    NASA Astrophysics Data System (ADS)

    Shuja Syed, Ahmed

    2013-12-01

    The 1st International Conference on Sensing for Industry, Control, Communication & Security Technologies (ICSICCST-2013), took place in Karachi, Pakistan, from 24-26 June 2013. It was organized by Indus University, Karachi, in collaboration with HEJ Research Institute of Chemistry, University of Karachi, Karachi. More than 80 abstracts were submitted to the conference and were double blind-reviewed by an international scientific committee. The topics of the Conference were: Video, Image & Voice Sensing Sensing for Industry, Environment, and Health Automation and Controls Laser Sensors and Systems Displays for Innovative Applications Emerging Technologies Unmanned, Robotic, and Layered Systems Sensing for Defense, Homeland Security, and Law Enforcement The title of the conference, 'Sensing for Industry, Control, Communication & Security Technologies' is very apt in capturing the main issues facing the industry of Pakistan and the world. We believe the sensing industry, particularly in Pakistan, is currently at a critical juncture of its development. The future of the industry will depend on how the industry players choose to respond to the challenge of global competition and opportunities arising from strong growth in the Asian region for which we are pleased to note that the conference covered a comprehensive spectrum of issues with an international perspective. This will certainly assist industry players to make informed decisions in shaping the future of the industry. The conference gathered qualified researchers from developed countries like USA, UK, Sweden, Saudi Arabia, China, South Korea and Malaysia etc whose expertise resulting from the research can be drawn upon to build an exploitable area of new technology that has potential Defense, Homeland Security, and Military applicability. More than 250 researchers/students attended the event and made the event great success as the turnout was 100%. An exceptional line-up of speakers spoke at the occasion. We want

  12. Effects of the April 1st, 2014 GLONASS Outage on GNSS Receivers

    NASA Astrophysics Data System (ADS)

    Blume, F.; Berglund, H. T.; Romero, I.; D'Anastasio, E.

    2014-12-01

    The use of multi-constellation GNSS receivers has been assumed as a way to increase system integrity both by increased coverage during normal operations and failover redundancy in the event of a constellation failure. At approximately 21:00 UTC on April 1st the entire GLONASS constellation was disrupted as illegal ephemeris uploaded to each satellite took effect simultaneously. The outage continued for more than 10 hours. While ephemeris were incorrect, pseudoranges were correctly broadcast on both L1 and L2 and carrier phases were not affected; in the best case, GNSS receivers could be expected to continue to track all signals including GLONASS and at the worst to continue to track GPS and other constellations. It became clear to operators of the GeoNet network in New Zealand that the majority of their 79 GLONASS-enabled receivers experienced total tracking failures. Further detailed analysis of data from these and 315 additional GLONASS-enabled stations worldwide showed that receiver tracking behavior was affected for most receiver brands and models, both for GLONASS and GPS. Findings regarding the impacts of the GLONASS outage on receiver behavior will be highlighted. We use data recorded by GLONASS enabled global sites for the days during, preceding and following the outage to evaluate the impact of the outage on tracking and positioning performance. We observe that for some receiver types the onboard receiver autonomous integrity monitoring (RAIM) failed to ignore the incorrect messages, resulting in degraded GLONASS and GPS tracking and in some cases complete tracking failures and significant data loss. In addition, many of the receivers with clock steering enabled showed outliers in their receiver clock bias estimates that also coincided with the outage. Our results show in detail how different brands, configurations, and distributions of receivers were affected to varying extents, but no common factors are apparent. This event shows that many manufacturers

  13. Host-guest interaction and structural ordering in polymeric nanoassemblies: Influence of molecular design.

    PubMed

    Antoniuk, Iurii; Plazzotta, Beatrice; Wintgens, Véronique; Volet, Gisèle; Nielsen, Thorbjørn T; Pedersen, Jan Skov; Amiel, Catherine

    2017-02-24

    Host-guest nanoassemblies made from spontaneous self-association of host and guest polymers in aqueous solutions have been studied. The specific motivation behind this work was to clarify the impact of the molecular design of the polymers on the interactions between them and on the inner structure of the resulting nanoassemblies. The polymers were composed of a dextran backbone, functionalized with either pendant β-cyclodextrin (CD) or adamantyl (Ada). Those groups were connected to the backbone either directly or with hydrophilic polyethylene glycol (PEG) spacers. To study the impact of those spacers we have proposed a synthetic pathway to new guest polymers. The latter relied on the use of thiol-substituted dextrans as a scaffold, which is subsequently transformed into PEG-Ada grafted guest polymers via nucleophile-mediated thiol-click reaction. Surface plasmon resonance (SPR) studies evidenced strong mutual affinities between the host and guest polymers and showed that the stoichiometry was close to the ideal one (CD/Ada = 1/1) when PEG spacers were introduced. The structure of the nanoassemblies was studied by a combination of dynamic light scattering (DLS) and small-angle X-ray scattering (SAXS). The nature of the individual host or guest polymers has a strong impact on the size and internal structure of the resulting nanoassemblies. The presence of PEG spacers in the polymers led to smaller and less compact nanoassemblies, as evidenced by their large correlation length values (4-20nm compared to 2nm without PEG spacers). At the same time, all types of nanoassemblies appear to have radial density distribution with denser cores and pending polymer chains at the periphery. This study, centered on the influence of the molecular design on the host-guest interactions and structural ordering in polymeric nanoassemblies, will help to tailor host-guest nanoassemblies with attractive drug delivery profiles.

  14. Local atomic order, electronic structure and electron transport properties of Cu-Zr metallic glasses

    NASA Astrophysics Data System (ADS)

    Antonowicz, J.; Pietnoczka, A.; Pekała, K.; Latuch, J.; Evangelakis, G. A.

    2014-05-01

    We studied atomic and electronic structures of binary Cu-Zr metallic glasses (MGs) using combined experimental and computational methods including X-ray absorption fine structure spectroscopy, electrical resistivity, thermoelectric power (TEP) measurements, molecular dynamics (MD) simulations, and ab-initio calculations. The results of MD simulations and extended X-ray absorption fine structure analysis indicate that atomic order of Cu-Zr MGs and can be described in terms of interpenetrating icosahedral-like clusters involving five-fold symmetry. MD configurations were used as an input for calculations of theoretical electronic density of states (DOS) functions which exhibits good agreement with the experimental X-ray absorption near-edge spectra. We found no indication of minimum of DOS at Fermi energy predicted by Mott's nearly free electron (NFE) model for glass-forming alloys. The theoretical DOS was subsequently used to test Mott's model describing the temperature variation of electrical resistivity and thermoelectric power of transition metal-based MGs. We demonstrate that the measured temperature variations of electrical resistivity and TEP remain in a contradiction with this model. On the other hand, the experimental temperature dependence of electrical resistivity can be explained by incipient localization of conduction electrons. It is shown that weak localization model works up to relatively high temperatures when localization is destroyed by phonons. Our results indicate that electron transport properties of Cu-Zr MGs are dominated by localization effects rather than by electronic structure. We suggest that NFE model fails to explain a relatively high glass-forming ability of binary Cu-Zr alloys.

  15. Local atomic order, electronic structure and electron transport properties of Cu-Zr metallic glasses

    SciTech Connect

    Antonowicz, J. Pietnoczka, A.; Pękała, K.; Latuch, J.; Evangelakis, G. A.

    2014-05-28

    We studied atomic and electronic structures of binary Cu-Zr metallic glasses (MGs) using combined experimental and computational methods including X-ray absorption fine structure spectroscopy, electrical resistivity, thermoelectric power (TEP) measurements, molecular dynamics (MD) simulations, and ab-initio calculations. The results of MD simulations and extended X-ray absorption fine structure analysis indicate that atomic order of Cu-Zr MGs and can be described in terms of interpenetrating icosahedral-like clusters involving five-fold symmetry. MD configurations were used as an input for calculations of theoretical electronic density of states (DOS) functions which exhibits good agreement with the experimental X-ray absorption near-edge spectra. We found no indication of minimum of DOS at Fermi energy predicted by Mott's nearly free electron (NFE) model for glass-forming alloys. The theoretical DOS was subsequently used to test Mott's model describing the temperature variation of electrical resistivity and thermoelectric power of transition metal-based MGs. We demonstrate that the measured temperature variations of electrical resistivity and TEP remain in a contradiction with this model. On the other hand, the experimental temperature dependence of electrical resistivity can be explained by incipient localization of conduction electrons. It is shown that weak localization model works up to relatively high temperatures when localization is destroyed by phonons. Our results indicate that electron transport properties of Cu-Zr MGs are dominated by localization effects rather than by electronic structure. We suggest that NFE model fails to explain a relatively high glass-forming ability of binary Cu-Zr alloys.

  16. Thermo-Elastic Analysis of Internally Cooled Structures Using a Higher Order Theory

    NASA Technical Reports Server (NTRS)

    Arnold, Steven M.; Bednarcyk, Brett A.; Aboudi, Jacob

    2001-01-01

    This paper presents the results of a study on the thermomechanical behavior of internally cooled silicon nitride structures. Silicon nitride is under consideration for elevated temperature aerospace engine applications. and techniques for lowering the operating temperature of structures composed of this material are under development. Lowering the operating temperature provides a large payoff in terms of fatigue life and may be accomplished through the use of thermal barrier coatings (TBC's) and the novel concept of included cooling channels. Herein, an in-depth study is performed on the behavior of a flame-impinged silicon nitride plate with a TBC and internal channels cooled by forced air. The analysis is performed using the higher order theory for functionally graded materials (HOTFGM), which has been developed through NASA Glenn Research Center funding over the past several years. HOTFGM was chosen over the traditional finite element approach as a prelude to an examination of functionally graded silicon nitride structures for which HOTFGM is ideally suited. To accommodate the analysis requirement% of the internally cooled plate problem, two crucial enhancements were made to the two-dimensional Cartesian-based version of HOTFGM. namely, incorporation of internal boundary capabilities and incorporation of convective boundary conditions. Results indicate the viability and large benefits of cooling the plate via forced air through cooling channels. Furthermore, cooling can positively impact the stress and displacement fields present in the plate, yielding an additional payoff in terms of fatigue life. Finally, a spin-off capability resulted from inclusion of internal boundaries within HOTFGM; the ability to simulate the thermo-elastic response of structures with curved surfaces. This new capability is demonstrated, and through comparison with an analytical solution, shown to be viable and accurate.

  17. 25th Anniversary Article: Ordered Polymer Structures for the Engineering of Photons and Phonons

    PubMed Central

    Lee, Jae-Hwang; Koh, Cheong Yang; Singer, Jonathan P; Jeon, Seog-Jin; Maldovan, Martin; Stein, Ori; Thomas, Edwin L

    2014-01-01

    The engineering of optical and acoustic material functionalities via construction of ordered local and global architectures on various length scales commensurate with and well below the characteristic length scales of photons and phonons in the material is an indispensable and powerful means to develop novel materials. In the current mature status of photonics, polymers hold a pivotal role in various application areas such as light-emission, sensing, energy, and displays, with exclusive advantages despite their relatively low dielectric constants. Moreover, in the nascent field of phononics, polymers are expected to be a superior material platform due to the ability for readily fabricated complex polymer structures possessing a wide range of mechanical behaviors, complete phononic bandgaps, and resonant architectures. In this review, polymer-centric photonic and phononic crystals and metamaterials are highlighted, and basic concepts, fabrication techniques, selected functional polymers, applications, and emerging ideas are introduced. PMID:24338738

  18. 25th anniversary article: ordered polymer structures for the engineering of photons and phonons.

    PubMed

    Lee, Jae-Hwang; Koh, Cheong Yang; Singer, Jonathan P; Jeon, Seog-Jin; Maldovan, Martin; Stein, Ori; Thomas, Edwin L

    2014-01-01

    The engineering of optical and acoustic material functionalities via construction of ordered local and global architectures on various length scales commensurate with and well below the characteristic length scales of photons and phonons in the material is an indispensable and powerful means to develop novel materials. In the current mature status of photonics, polymers hold a pivotal role in various application areas such as light-emission, sensing, energy, and displays, with exclusive advantages despite their relatively low dielectric constants. Moreover, in the nascent field of phononics, polymers are expected to be a superior material platform due to the ability for readily fabricated complex polymer structures possessing a wide range of mechanical behaviors, complete phononic bandgaps, and resonant architectures. In this review, polymer-centric photonic and phononic crystals and metamaterials are highlighted, and basic concepts, fabrication techniques, selected functional polymers, applications, and emerging ideas are introduced.

  19. Higher-order chromatin structure in DSB induction, repair and misrepair.

    PubMed

    Falk, Martin; Lukasova, Emilie; Kozubek, Stanislav

    2010-01-01

    Double-strand breaks (DSBs), continuously introduced into DNA by cell metabolism, ionizing radiation and some chemicals, are the biologically most deleterious type of genome damage, and must be accurately repaired to protect genomic integrity, ensure cell survival, and prevent carcinogenesis. Although a huge amount of information has been published on the molecular basis and biological significance of DSB repair, our understanding of DSB repair and its spatiotemporal arrangement is still incomplete. In particular, the role of higher-order chromatin structure in DSB induction and repair, movement of DSBs and the mechanism giving rise to chromatin exchanges, and many other currently disputed questions are discussed in this review. Finally, a model explaining the formation of chromosome translocations is proposed.

  20. First-order reliability application and verification methods for semistatic structures

    NASA Astrophysics Data System (ADS)

    Verderaime, V.

    1994-11-01

    Escalating risks of aerostructures stimulated by increasing size, complexity, and cost should no longer be ignored in conventional deterministic safety design methods. The deterministic pass-fail concept is incompatible with probability and risk assessments; stress audits are shown to be arbitrary and incomplete, and the concept compromises the performance of high-strength materials. A reliability method is proposed that combines first-order reliability principles with deterministic design variables and conventional test techniques to surmount current deterministic stress design and audit deficiencies. Accumulative and propagation design uncertainty errors are defined and appropriately implemented into the classical safety-index expression. The application is reduced to solving for a design factor that satisfies the specified reliability and compensates for uncertainty errors, and then using this design factor as, and instead of, the conventional safety factor in stress analyses. The resulting method is consistent with current analytical skills and verification practices, the culture of most designers, and the development of semistatic structural designs.

  1. Structural Stabilities of Ordered Arrays of Nb4 Clusters on NaCl(100) Surface

    NASA Astrophysics Data System (ADS)

    Wang, Xiao-Chun; Zhang, Jian-Hua; Wen, Yu-Hua; Zhu, Zi-Zhong

    2009-01-01

    Adsorption of ordered (2 × 2) arrays of Nb4 clusters on the insulating surface of NaCl(100) is studied by the first-principles calculations within the density functional theory. The calculations on the relaxed geometries and cohesive energies show that both the tetrahedron and quadrangle-Nb4 can be stably adsorbed on this substrate, which may have important applications. The adsorption of quadrangle-Nb4 on the NaCl(100) surface is more stable than that of tetrahedron-Nb4. Both the Nb4 clusters studied and a single Nb atom prefer the top site of the Cl atom in the NaCl(100) surface. Electronic structure analysis suggests that the interactions between the Nb4 clusters and the substrate are weak.

  2. Ordered and isomorphic mapping of periodic structures in the parametrically forced logistic map

    NASA Astrophysics Data System (ADS)

    Maranhão, Dariel M.

    2016-09-01

    We investigate the periodic domains found in the parametrically forced logistic map, the classical logistic map when its control parameter changes dynamically. Phase diagrams in two-parameter spaces reveal intricate periodic structures composed of patterns of intersecting superstable orbits curves, defining the cell of a periodic window. Cells appear multifoliated and ordered, and they are isomorphically mapped when one changes the map parameters. Also, we identify the characteristics of simplest cell and apply them to other more complex, discussing how the topography on parameter space is affected. By use of the winding number as defined in periodically forced oscillators, we show that the hierarchical organization of the periodic domains is manifested in global and local scales.

  3. Ordered assembly of NiCo₂O₄ multiple hierarchical structures for high-performance pseudocapacitors.

    PubMed

    Zhou, Qingwen; Xing, Jiachao; Gao, Yanfang; Lv, Xiaojun; He, Yongmei; Guo, Zihan; Li, Yueming

    2014-07-23

    The design and development of nanomaterials has become central to the advancement of pseudocapacitive performance. Many one-dimensional nanostructures (1D NSs), two-dimensional nanostructures (2D NSs), and three-dimensional hierarchical structures (3D HSs) composed of these building blocks have been synthesized as pseudocapacitive materials via different methods. However, due to the unclear assembly mechanism of these NSs, reports of HSs simultaneously assembled from two or more types of NSs are rare. In this article, NiCo2O4 multiple hierarchical structures (MHSs) composed of 1D nanowires and 2D nanosheets are simply grown on Ni foam using an ordered two-step hydrothermal synthesis followed by annealing processing. The low-dimensional nanowire is found to hold priority in the growth order, rather than the high-dimensional nanosheet, thus effectively promoting the integration of these different NSs in the assembly of the NiCo2O4 MHSs. With vast electroactive surface area and favorable mesoporous architecture, the NiCo2O4 MHSs exhibit a high specific capacitance of up to 2623.3 F g(-1), scaled to the active mass of the NiCo2O4 sample at a current density of 1 A g(-1). A nearly constant rate performance of 68% is achieved at a current density ranging from 1 to 40 A g(-1), and the sample retains approximately 94% of its maximum capacitance even after 3000 continuous charge-discharge cycles at a consistently high current density of 10 A g(-1).

  4. Teachers' Spatial Anxiety Relates to 1st-and 2nd-Graders' Spatial Learning

    ERIC Educational Resources Information Center

    Gunderson, Elizabeth A.; Ramirez, Gerardo; Beilock, Sian L.; Levine, Susan C.

    2013-01-01

    Teachers' anxiety about an academic domain, such as math, can impact students' learning in that domain. We asked whether this relation held in the domain of spatial skill, given the importance of spatial skill for success in math and science and its malleability at a young age. We measured 1st-and 2nd-grade teachers' spatial anxiety…

  5. Uncertainty Requirement Analysis for the Orbit, Attitude, and Burn Performance of the 1st Lunar Orbit Insertion Maneuver

    NASA Astrophysics Data System (ADS)

    Song, Young-Joo; Bae, Jonghee; Kim, Young-Rok; Kim, Bang-Yeop

    2016-12-01

    In this study, the uncertainty requirements for orbit, attitude, and burn performance were estimated and analyzed for the execution of the 1st lunar orbit insertion (LOI) maneuver of the Korea Pathfinder Lunar Orbiter (KPLO) mission. During the early design phase of the system, associate analysis is an essential design factor as the 1st LOI maneuver is the largest burn that utilizes the onboard propulsion system; the success of the lunar capture is directly affected by the performance achieved. For the analysis, the spacecraft is assumed to have already approached the periselene with a hyperbolic arrival trajectory around the moon. In addition, diverse arrival conditions and mission constraints were considered, such as varying periselene approach velocity, altitude, and orbital period of the capture orbit after execution of the 1st LOI maneuver. The current analysis assumed an impulsive LOI maneuver, and two-body equations of motion were adapted to simplify the problem for a preliminary analysis. Monte Carlo simulations were performed for the statistical analysis to analyze diverse uncertainties that might arise at the moment when the maneuver is executed. As a result, three major requirements were analyzed and estimated for the early design phase. First, the minimum requirements were estimated for the burn performance to be captured around the moon. Second, the requirements for orbit, attitude, and maneuver burn performances were simultaneously estimated and analyzed to maintain the 1st elliptical orbit achieved around the moon within the specified orbital period. Finally, the dispersion requirements on the B-plane aiming at target points to meet the target insertion goal were analyzed and can be utilized as reference target guidelines for a mid-course correction (MCC) maneuver during the transfer. More detailed system requirements for the KPLO mission, particularly for the spacecraft bus itself and for the flight dynamics subsystem at the ground control center

  6. Statistical Mechanics of Nucleosomes Constrained by Higher-Order Chromatin Structure

    NASA Astrophysics Data System (ADS)

    Chereji, Răzvan V.; Morozov, Alexandre V.

    2011-07-01

    Eukaryotic DNA is packaged into chromatin: one-dimensional arrays of nucleosomes separated by stretches of linker DNA are folded into 30-nm chromatin fibers which in turn form higher-order structures (Felsenfeld and Groudine in Nature 421:448, 2003). Each nucleosome, the fundamental unit of chromatin, has 147 base pairs (bp) of DNA wrapped around a histone octamer (Richmond and Davey in Nature 423:145, 2003). In order to describe how chromatin fiber formation affects nucleosome positioning and energetics, we have developed a thermodynamic model of finite-size particles with effective nearest-neighbor interactions and arbitrary DNA-binding energies. We show that both one- and two-body interactions can be extracted from one-particle density profiles based on high-throughput maps of in vitro or in vivo nucleosome positions. Although a simpler approach that neglects two-body interactions (even if they are in fact present in the system) can be used to predict sequence determinants of nucleosome positions, the full theory is required to disentangle one- and two-body effects. Finally, we construct a minimal model in which nucleosomes are positioned primarily by steric exclusion and two-body interactions rather than intrinsic histone-DNA sequence preferences. The model reproduces nucleosome occupancy patterns observed over transcribed regions in living cells.

  7. Magnetic ordering and structural transition in layered Li2RuO3

    NASA Astrophysics Data System (ADS)

    Pillay, Devina; Johannes, Michelle

    2008-03-01

    Li2RuO3 is a layered, triangular-lattice metal oxide system much like NaxCoO2, NaNiO2 and LiNiO2 with the exception that one of every three transition metal ions (Ru) is replaced by a Li ion. This results in a honeycomb arrangement of spin-carrying ions and eliminates the magnetic frustration intrinsic to the triangular lattice. Here we investigate the electronic structure of Li2RuO3, especially in relation to its magnetic ordering both in-plane and between adjacent planes. We find that the dimerization of Ru atoms within the metal-oxide planes acts in conjunction with magnetic ordering to establish a gapped, magnetic ground state. The change in the energy level spectrum brought on by the formation of spin-polarized Ru-Ru molecular orbitals replaces the expected Jahn-Teller mechanism as a way of relieving a degeneracy at the Fermi energy.

  8. Dynamic Snap-Through of Thermally Buckled Structures by a Reduced Order Method

    NASA Technical Reports Server (NTRS)

    Przekop, Adam; Rizzi, Stephen A.

    2007-01-01

    The goal of this investigation is to further develop nonlinear modal numerical simulation methods for application to geometrically nonlinear response of structures exposed to combined high intensity random pressure fluctuations and thermal loadings. The study is conducted on a flat aluminum beam, which permits a comparison of results obtained by a reduced-order analysis with those obtained from a numerically intensive simulation in physical degrees-of-freedom. A uniformly distributed thermal loading is first applied to investigate the dynamic instability associated with thermal buckling. A uniformly distributed random loading is added to investigate the combined thermal-acoustic response. In the latter case, three types of response characteristics are considered, namely: (i) small amplitude vibration around one of the two stable buckling equilibrium positions, (ii) intermittent snap-through response between the two equilibrium positions, and (iii) persistent snap-through response between the two equilibrium positions. For the reduced-order analysis, four categories of modal basis functions are identified including those having symmetric transverse, anti-symmetric transverse, symmetric in-plane, and anti-symmetric in-plane displacements. The effect of basis selection on the quality of results is investigated for the dynamic thermal buckling and combined thermal-acoustic response. It is found that despite symmetric geometry, loading, and boundary conditions, the anti-symmetric transverse and symmetric in-plane modes must be included in the basis as they participate in the snap-through behavior.

  9. Dynamic Snap-Through of Thin-Walled Structures by a Reduced Order Method

    NASA Technical Reports Server (NTRS)

    Przekop, Adam; Rizzi, Stephen A.

    2006-01-01

    The goal of this investigation is to further develop nonlinear modal numerical simulation methods for application to geometrically nonlinear response of structures exposed to combined high intensity random pressure fluctuations and thermal loadings. The study is conducted on a flat aluminum beam, which permits a comparison of results obtained by a reduced-order analysis with those obtained from a numerically intensive simulation in physical degrees-of-freedom. A uniformly distributed thermal loading is first applied to investigate the dynamic instability associated with thermal buckling. A uniformly distributed random loading is added to investigate the combined thermal-acoustic response. In the latter case, three types of response characteristics are considered, namely: (i) small amplitude vibration around one of the two stable buckling equilibrium positions, (ii) intermittent snap-through response between the two equilibrium positions, and (iii) persistent snap-through response between the two equilibrium positions. For the reduced order analysis, four categories of modal basis functions are identified including those having symmetric transverse (ST), anti-symmetric transverse (AT), symmetric in-plane (SI), and anti-symmetric in-plane (AI) displacements. The effect of basis selection on the quality of results is investigated for the dynamic thermal buckling and combined thermal-acoustic response. It is found that despite symmetric geometry, loading, and boundary conditions, the AT and SI modes must be included in the basis as they participate in the snap-through behavior.

  10. Structural ordering tendencies in the new ferromagnetic Ni-Co-Fe-Ga-Zn Heusler alloys

    NASA Astrophysics Data System (ADS)

    Dannenberg, Antje; Siewert, Mario; Gruner, Markus E.; Wuttig, Manfred; Entel, Peter

    In search for new ferromagnetic shape memory alloys (FSMA) we have calculated structural energy differences, magnetic exchange interaction constants and mixing energies of quaternary (X1X2)YZ Heusler alloys with X1,X2,Y =Ni,Co,Fe and Z=Ga, Zn using density functional theory. The comparison of the energy profiles of (NiCo)FeZ, (FeNi)CoZ, and (FeCo)NiZ with Z=Ga and Zn as a function of the tetragonal distortion c / a reveals that the energetically preferred ordering type is (NiCo)FeGa and (NiCo)FeZn which shows that Fe prefers to occupy the same cubic sublattice as Ga or Zn what implies that Fe favors Co and Ni as nearest neighbors, respectively. The Curie temperatures of (NiCo)FeGa and (NiCo)FeZn are high of the order of 600 K. (NiCo)FeGa, which has the same valence electron concentration (e/a=7.5) as Ni2MnGa and also possesses a high martensitic transformation temperature (>500 K), is of interest for future magnetic shape memory devices.

  11. Evolved structure of language shows lineage-specific trends in word-order universals.

    PubMed

    Dunn, Michael; Greenhill, Simon J; Levinson, Stephen C; Gray, Russell D

    2011-05-05

    Languages vary widely but not without limit. The central goal of linguistics is to describe the diversity of human languages and explain the constraints on that diversity. Generative linguists following Chomsky have claimed that linguistic diversity must be constrained by innate parameters that are set as a child learns a language. In contrast, other linguists following Greenberg have claimed that there are statistical tendencies for co-occurrence of traits reflecting universal systems biases, rather than absolute constraints or parametric variation. Here we use computational phylogenetic methods to address the nature of constraints on linguistic diversity in an evolutionary framework. First, contrary to the generative account of parameter setting, we show that the evolution of only a few word-order features of languages are strongly correlated. Second, contrary to the Greenbergian generalizations, we show that most observed functional dependencies between traits are lineage-specific rather than universal tendencies. These findings support the view that-at least with respect to word order-cultural evolution is the primary factor that determines linguistic structure, with the current state of a linguistic system shaping and constraining future states.

  12. Educational impact of a clinical anatomy workshop on 1st-year orthopedic and rheumatology fellows in Mexico City.

    PubMed

    Saavedra, M A; Villaseñor-Ovies, P; Harfush, L A; Navarro-Zarza, J E; Canoso, J J; Cruz-Domínguez, P; Vargas, A; Hernández-Díaz, C; Chiapas-Gasca, K; Camacho-Galindo, J; Alvarez-Nemegyei, J; Kalish, R A

    2016-05-01

    We aim to study the educational impact of a clinical anatomy workshop in 1st-year orthopedic and rheumatology fellows. First-year rheumatology fellows (N = 17) and a convenience sample of 1st-year orthopedic fellows (N = 14) from Mexico City in the 9th month of training participated in the study. The pre- and the post- workshop tests included the same 20 questions that had to be answered by identification or demonstration of relevant anatomical items. The questions, arranged by anatomical regions, were asked in five dynamic stations. Overall, the 31 participants showed an increase of correct answers, from a median of 6 (range 1 to 12) in the pre-workshop test, to a median of 14 (range 7 to 19) in the post-workshop test. In the pre-workshop test, the correct median answers were 7 (range 2 to 12) in the orthopedic fellows and 5 (range 1 to 10) in the rheumatology fellows (p = 0.297). Corresponding scores in the post-workshop were 15 (range 10 to 19) and 12 (range 7 to 18) (p = 0.026) showing a significant difference favoring the orthopedic group. Our clinical anatomy workshop was efficacious, in the short term, as a teaching instrument for 1st-year orthopedic and rheumatology fellows. The post-workshop scores, although significantly improved in both groups, particularly in the orthopedic fellows, were still suboptimal. Further refinements of our workshop might yield better results.

  13. Structural determinants of protein partitioning into ordered membrane domains and lipid rafts.

    PubMed

    Lorent, Joseph Helmuth; Levental, Ilya

    2015-11-01

    Increasing evidence supports the existence of lateral nanoscopic lipid domains in plasma membranes, known as lipid rafts. These domains preferentially recruit membrane proteins and lipids to facilitate their interactions and thereby regulate transmembrane signaling and cellular homeostasis. The functionality of raft domains is intrinsically dependent on their selectivity for specific membrane components; however, while the physicochemical determinants of raft association for lipids are known, very few systematic studies have focused on the structural aspects that guide raft partitioning of proteins. In this review, we describe biophysical and thermodynamic aspects of raft-mimetic liquid ordered phases, focusing on those most relevant for protein partitioning. Further, we detail the variety of experimental models used to study protein-raft interactions. Finally, we review the existing literature on mechanisms for raft targeting, including lipid post-translational modifications, lipid binding, and transmembrane domain features. We conclude that while protein palmitoylation is a clear raft-targeting signal, few other general structural determinants for raft partitioning have been revealed, suggesting that many discoveries lie ahead in this burgeoning field.

  14. An evaluation of higher-order model methods for calculating transient structural response

    NASA Technical Reports Server (NTRS)

    Camarda, Charles J.; Haftka, Raphael T.; Riley, Michael F.

    1987-01-01

    A higher-order modal method proposed by Leung for transient structural analysis entitled the force-derivative method is evaluated. This method repeatedly integrates by parts with respect to time the convolution-integral form of the structural response to produce successively better approximations to the contribution of the higher modes which are neglected in the modal summation. Comparisons are made of the force-derivative, the mode-displacement, and the mode-acceleration methods for several numerical example problems for various times, levels of damping, and forcing functions. The example problems include a tip-loaded cantilevered beam and a simply-supported multispan beam. The force-derivative method is shown to converge to an accurate solution in fewer modes than either the mode-displacement or the mode-acceleration methods. In addition, for problems in which there are a large number of closely-spaced frequencies whose mode shapes have a negligible contribution to the response, the force-derivative method is very effective in representing the effect of the important, but otherwise neglected, higher modes.

  15. Structural origins of chiral second-order optical nonlinearity in collagen: amide I band.

    PubMed

    Reiser, Karen M; McCourt, Alexander B; Yankelevich, Diego R; Knoesen, André

    2012-11-21

    The molecular basis of nonlinear optical (NLO) chiral effects in the amide I region of type I collagen was investigated using sum-frequency generation vibrational spectroscopy; chiral and achiral tensor elements were separated using different input/output beam polarization conditions. Spectra were obtained from native rat tail tendon (RTT) collagen and from cholesteric liquid crystal-like (LC) type I collagen films. Although RTT and LC collagen both possess long-range order, LC collagen lacks the complex hierarchical organization of RTT collagen. Their spectra were compared to assess the role of such organization in NLO chirality. No significant differences were observed between RTT and LC with respect to chiral or achiral spectra. These findings suggest that amide I NLO chiral effects in type I collagen assemblies arise predominantly from the chiral organization of amide chromophores within individual collagen molecules, rather than from supramolecular structures. The study suggests that sum-frequency generation vibrational spectroscopy may be uniquely valuable in exploring fundamental aspects of chiral nonlinearity in complex macromolecular structures.

  16. A generative spike train model with time-structured higher order correlations.

    PubMed

    Trousdale, James; Hu, Yu; Shea-Brown, Eric; Josić, Krešimir

    2013-01-01

    Emerging technologies are revealing the spiking activity in ever larger neural ensembles. Frequently, this spiking is far from independent, with correlations in the spike times of different cells. Understanding how such correlations impact the dynamics and function of neural ensembles remains an important open problem. Here we describe a new, generative model for correlated spike trains that can exhibit many of the features observed in data. Extending prior work in mathematical finance, this generalized thinning and shift (GTaS) model creates marginally Poisson spike trains with diverse temporal correlation structures. We give several examples which highlight the model's flexibility and utility. For instance, we use it to examine how a neural network responds to highly structured patterns of inputs. We then show that the GTaS model is analytically tractable, and derive cumulant densities of all orders in terms of model parameters. The GTaS framework can therefore be an important tool in the experimental and theoretical exploration of neural dynamics.

  17. Drying-Mediated Self-Assembly of Highly Ordered Complex Structures: From Polymers to Nanoparticles

    NASA Astrophysics Data System (ADS)

    Lin, Zhiqun

    2009-03-01

    Drying of a sessile drop containing nonvolatile solutes readily self-assembles into a number of concentric ``coffee rings'' by repetitive ``stick-slip'' motion of the three-phase contact line. However, due mainly to lack of control over the evaporation process of the drop, the challenge remains to use evaporative self-assembly to rationally ``synthesize'' ``coffee rings'' of different shapes and sizes of high regularity and fidelity. Here, we report a facile, robust, and one-step evaporation method for producing in a precisely controllable manner versatile microstructures possessing high regularity, dispensing with the need for lithographic techniques and externally applied fields. Polymer or nanocrystal solutions are confined in a simple geometry comprised of a curved surface placed upon a flat substrate. By changing the shape of the upper surface of the imposed geometry, the controlled, evaporative self-assembly of polymer or nanocrystal solutions yields a variety of complex, intriguing, and well-ordered structures over large areas. As such, this method represents a significant advance in creating regularly organized, complex structures with potential applications in microelectronics, optoelectronics, and biotechnology, among other areas.

  18. RF-Thermal-Structural Analysis of a Waveguide Higher Order Mode Absorber

    SciTech Connect

    G. Cheng; E. F. Daly; R. A. Rimmer; M. Stirbet; L. Vogel; H. Wang; K. M. Wilson

    2007-07-03

    For an ongoing high current cryomodule project, a total of 5 higher order mode (HOM) absorbers are required per cavity. The load is designed to absorb Radio Frequency (RF) heat induced by HOMs in a 748.5MHz cavity. Each load is targeted at a 4 kW dissipation capability. Water cooling is employed to remove the heat generated in ceramic tiles and by surface losses on the waveguide walls. A sequentially coupled RF-thermal-structural analysis was developed in ANSYS to optimize the HOM load design. Frequency-dependent dielectric material properties measured from samples and RF power spectrum calculated by the beam-cavity interaction codes were considered. The coupled field analysis capability of ANSYS avoided mapping of results between separate RF and thermal/structural simulation codes. For verification purposes, RF results obtained from ANSYS were compared to those from MAFIA, HFSS, and Microwave Studio. Good agreement was reached and this confirms that multiple-field coupled analysis is a desirable choice in analysis of HOM loads. Similar analysis could be performed on other particle accelerator components where distributed RF heating and surface current induced losses are inevitable.

  19. A generative spike train model with time-structured higher order correlations

    PubMed Central

    Trousdale, James; Hu, Yu; Shea-Brown, Eric; Josić, Krešimir

    2013-01-01

    Emerging technologies are revealing the spiking activity in ever larger neural ensembles. Frequently, this spiking is far from independent, with correlations in the spike times of different cells. Understanding how such correlations impact the dynamics and function of neural ensembles remains an important open problem. Here we describe a new, generative model for correlated spike trains that can exhibit many of the features observed in data. Extending prior work in mathematical finance, this generalized thinning and shift (GTaS) model creates marginally Poisson spike trains with diverse temporal correlation structures. We give several examples which highlight the model's flexibility and utility. For instance, we use it to examine how a neural network responds to highly structured patterns of inputs. We then show that the GTaS model is analytically tractable, and derive cumulant densities of all orders in terms of model parameters. The GTaS framework can therefore be an important tool in the experimental and theoretical exploration of neural dynamics. PMID:23908626

  20. Structural features of the ferromagnetic order formation in the Mn1- x Cr x NiGe system

    NASA Astrophysics Data System (ADS)

    Val'kov, V. I.; Kamenev, V. I.; Mityuk, V. I.; Gribanov, I. F.; Golovchan, A. V.; Delikatnaya, T. Yu.

    2017-02-01

    Within the phenomenological model of the interacting parameters of magnetic and structural orders, magnetic and structural transitions in magnetocaloric alloys of the Mn1- x Cr x NiGe system are analyzed. Based on the calculated isobaric temperature dependences of the parameters of magnetic and structural orders, a magnetic susceptibility jump in the first-order structural transition region is predicted and confirmed experimentally; the change in the magnetic ordering type during the approach of magnetic and structural transitions is justified. The change in the phase transition type during the reverse change in the temperature and magnetic field, which is observed in a number of samples of the system under study, is explained. The efficiency of the use of the transitions induced by the magnetic field in magnetocaloric applications is analyzed.

  1. Structural changes of small amplitude kinetic Alfvén solitary waves due to second-order corrections

    NASA Astrophysics Data System (ADS)

    Choi, Cheong R.

    2015-10-01

    The structural changes of kinetic Alfvén solitary waves (KASWs) due to higher-order terms are investigated. While the first-order differential equation for KASWs provides the dispersion relation for kinetic Alfvén waves, the second-order differential equation describes the structural changes of the solitary waves due to higher-order nonlinearity. The reductive perturbation method is used to obtain the second-order and third-order partial differential equations; then, Kodama and Taniuti's technique [J. Phys. Soc. Jpn. 45, 298 (1978)] is applied in order to remove the secularities in the third-order differential equations and derive a linear second-order inhomogeneous differential equation. The solution to this new second-order equation indicates that, as the amplitude increases, the hump-type Korteweg-de Vries solution is concentrated more around the center position of the soliton and that dip-type structures form near the two edges of the soliton. This result has a close relationship with the interpretation of the complex KASW structures observed in space with satellites.

  2. Structural changes of small amplitude kinetic Alfvén solitary waves due to second-order corrections

    SciTech Connect

    Choi, Cheong R.

    2015-10-15

    The structural changes of kinetic Alfvén solitary waves (KASWs) due to higher-order terms are investigated. While the first-order differential equation for KASWs provides the dispersion relation for kinetic Alfvén waves, the second-order differential equation describes the structural changes of the solitary waves due to higher-order nonlinearity. The reductive perturbation method is used to obtain the second-order and third-order partial differential equations; then, Kodama and Taniuti's technique [J. Phys. Soc. Jpn. 45, 298 (1978)] is applied in order to remove the secularities in the third-order differential equations and derive a linear second-order inhomogeneous differential equation. The solution to this new second-order equation indicates that, as the amplitude increases, the hump-type Korteweg-de Vries solution is concentrated more around the center position of the soliton and that dip-type structures form near the two edges of the soliton. This result has a close relationship with the interpretation of the complex KASW structures observed in space with satellites.

  3. Higher Cord C-Peptide Concentrations Are Associated With Slower Growth Rate in the 1st Year of Life in Girls but Not in Boys

    PubMed Central

    Regnault, Nolwenn; Botton, Jérémie; Heude, Barbara; Forhan, Anne; Hankard, Régis; Foliguet, Bernard; Hillier, Teresa A.; Souberbielle, Jean-Claude; Dargent-Molina, Patricia; Charles, Marie-Aline

    2011-01-01

    OBJECTIVE To understand the relationships between maternal glycemia during pregnancy and prenatal and early postnatal growth by evaluating cord C-peptide and IGF-I as mediating biomarkers in boys and girls separately. RESEARCH DESIGN AND METHODS We evaluated 342 neonates within the EDEN mother-child cohort study born to mothers without diabetes diagnosis before pregnancy. We measured maternal glycemia at 24–28 weeks of gestation and neonates’ cord blood C-peptide (used as a proxy for fetal insulin) and IGF-I at birth. Reported maternal prepregnancy BMI and all measured infant weights and lengths in the 1st year were recorded. Growth modeling was used to obtain an individual growth curve for each infant in the 1st year. Path models, a type of structural equation modeling, were used for statistical analysis. Path analysis is a multivariate method associated with a graphical display that allows evaluation of mediating factors and distinguishes direct, indirect, and total effects. RESULTS Cord C-peptide at birth was positively correlated with maternal prepregnancy BMI and maternal glycemia and was higher in girls. In a path model that represented prenatal growth, there was no significant direct effect of maternal glycemia on birth weight, but the effect of maternal glycemia on birth weight was mediated by fetal insulin and IGF-I in both girls and boys. However, in girls only, higher concentrations of cord C-peptide (but not cord IGF-I or maternal glucose) were associated with slower weight growth in the first 3 months of life. CONCLUSIONS Our study underlines the role of the fetal insulin–IGF-I axis in the relationship between maternal glycemia during pregnancy and birth weight. We also show for the first time that high insulin concentration in female fetuses is associated with slower early postnatal growth. This slow, early growth pattern may be programmed by fetal hyperinsulinemia, and girls may be more susceptible than boys to its consequences. PMID:21700880

  4. Soft matter dispersions with ordered inner structures, stabilized by ethoxylated phytosterols.

    PubMed

    Libster, Dima; Aserin, Abraham; Yariv, Doron; Shoham, Gil; Garti, Nissim

    2009-11-01

    This paper describes the formation and characterization of liquid crystalline dispersions based on the hexagonal phase of GMO/tricaprylin/water. As a stabilizer of the soft particles dispersed in the aqueous phase, a non-ionic, non-polymeric surfactant--ethoxylated phytosterol with 30 oxyethylene units (PhEO) was utilized. In contrast to Pluronic copolymers, normally utilized in the stabilization of liquid crystalline dispersions with ordered inner structure, use of such non-polymeric surfactant is not a common practice in this field. We revealed how properties of these particles, such as internal structure, size, and stability, can be rationally modified by the concentration of the stabilizing agent and processing conditions. The physical stability of the hexosomes was further examined by the LUMiFuge technique. Structural effect of PhEO solubilization on the properties of the bulk H(II) mesophase system showed that phase behavior was greatly influenced following phase transitions: H(II)-->H(II)+cubic-->cubic+L(alpha)-->L(alpha). The decrease of hydrogen bonding of the hydroxyl and carbonyl groups of monoolein with water and simultaneous hydration of EO groups of PhEO appeared to be important for the observed behavior. The use of PhEO as a dispersant resulted in a soft matter multi-phase water dispersion with bimodal distribution of the particle population. Effective stabilization of hexosomes was obtained in an extremely narrow concentration range of PhEO (0.1-0.2 wt%), coexisting with small vesicles and disordered particles. At higher PhEO content, particles had disordered inner structure, and unilamellar and multilamellar vesicles, at the expense of hexosomes in consequence of incorporation of the dispersant into the hexosome structure. PhEO was found to induce lamellar phase formation, introducing disorder into the hexagonal LLC and reducing their domain size. Finally, hexosomes were evaluated as delivery vehicles for the therapeutic peptide desmopressin

  5. Variable structure control of linear time invariant fractional order systems using a finite number of state feedback law

    NASA Astrophysics Data System (ADS)

    Balochian, Saeed; Sedigh, Ali Khaki; Zare, Asef

    2011-03-01

    In this paper, an approach based on the variable structure control is proposed for stabilization of linear time invariant fractional order systems (LTI-FOS) using a finite number of available state feedback controls, none of which is capable of stabilizing the LTI-FOS by itself. First, a system with integer order derivatives is defined and its existence is proved, which has stability equivalent properties with respect to the fractional system. This makes it possible to use Lyapunov function and convex analysis in order to define the sliding sector and develop a variable structure control which enables the switching between available control gains and stabilizing the fractional order system.

  6. The theoretical simulation on electrostatic distribution of 1st proximity region in proximity focusing low-light-level image intensifier

    NASA Astrophysics Data System (ADS)

    Zhang, Liandong; Bai, Xiaofeng; Song, De; Fu, Shencheng; Li, Ye; Duanmu, Qingduo

    2015-03-01

    Low-light-level night vision technology is magnifying low light level signal large enough to be seen by naked eye, which uses the photons - photoelectron as information carrier. Until the micro-channel plate was invented, it has been possibility for the realization of high performance and miniaturization of low-light-level night vision device. The device is double-proximity focusing low-light-level image intensifier which places a micro-channel plate close to photocathode and phosphor screen. The advantages of proximity focusing low-light-level night vision are small size, light weight, small power consumption, no distortion, fast response speed, wide dynamic range and so on. It is placed parallel to each other for Micro-channel plate (both sides of it with metal electrode), the photocathode and the phosphor screen are placed parallel to each other. The voltage is applied between photocathode and the input of micro-channel plate when image intensifier works. The emission electron excited by photo on the photocathode move towards to micro-channel plate under the electric field in 1st proximity focusing region, and then it is multiplied through the micro-channel. The movement locus of emission electrons can be calculated and simulated when the distributions of electrostatic field equipotential lines are determined in the 1st proximity focusing region. Furthermore the resolution of image tube can be determined. However the distributions of electrostatic fields and equipotential lines are complex due to a lot of micro-channel existing in the micro channel plate. This paper simulates electrostatic distribution of 1st proximity region in double-proximity focusing low-light-level image intensifier with the finite element simulation analysis software Ansoft maxwell 3D. The electrostatic field distributions of 1st proximity region are compared when the micro-channel plates' pore size, spacing and inclination angle ranged. We believe that the electron beam movement

  7. The influence of cross-order terms in interface mobilities for structure-borne sound source characterization: Frame-like structures

    NASA Astrophysics Data System (ADS)

    Bonhoff, H. A.; Petersson, B. A. T.

    2009-01-01

    The applicability of interface mobilities for structure-borne sound source characterization critically depends on the admissibility of neglecting the cross-order terms. Following on from a previous study [H.A. Bonhoff, B.A.T. Petersson, Journal of Sound and Vibration 311 (2008) 473-484], the influence of the cross-order terms is investigated for frame-like structures under the assumption of a uniform force-order distribution. Considering the complex power, the cross-order terms are significant from intermediate frequencies on upwards. At lower frequencies, the cross-order terms can come into play for cases where the in-phase motion of the structure along the interface is constrained. The frequency characteristics of the influence of cross-order terms for the zero-order source descriptor and coupling function are similar to those of the complex power. For non-zero source descriptor and coupling function orders, the quality of the equal-order approximation mainly depends on the presence of low-order cross-order interface mobilities. By analyzing the symmetry of an interface system, it is possible to predict which cross-order terms are equal to zero. The equal-order approximation manages to capture the main trends and overall characteristics and offers an acceptable estimate for engineering practice.

  8. CONDENSED MATTER: STRUCTURE, THERMAL AND MECHANICAL PROPERTIES: Reverse Monte Carlo study on structural order in liquid and glassy AlFe alloys

    NASA Astrophysics Data System (ADS)

    Zhang, Jing-Xiang; Li, Hui; Zhang, Jie; Song, Xi-Gui; Bian, Xiu-Fang

    2009-11-01

    This paper reports that anomalous local order in liquid and glassy AlFeCe alloy has been detected by x-ray diffraction measurements. The addition of the element Ce has a great effect on this local structural order. The element Ce favours interpenetration of the icosahedra by sharing a common face and edges. It argues that frustration between this short-range order and the long-range crystalline order controls the glass-forming ability of these liquids. The obtained results suggest that a system having a stronger tendency to show local icosahedral order should be a better glass-former. This scenario also naturally explains the close relationship between the local icosahedral order in a liquid, glass-forming ability, and the nucleation barrier. Such topological local order has also been analysed directly using the reverse Monte Carlo method. It also estimated the fraction of local ordered and disordered structural units in a glassy AlFeCe alloy.

  9. Magnetic ordering and exchange interactions in structural modifications of M n3Ga alloys: Interplay of frustration, atomic order, and off-stoichiometry

    NASA Astrophysics Data System (ADS)

    Khmelevskyi, Sergii; Ruban, Andrei V.; Mohn, Peter

    2016-05-01

    Mn-Ga alloys close to the M n3Ga stoichiometry can be synthesized in three different crystal modifications: hexagonal, tetragonal, and face-centered cubic, both in bulk and in thin-film forms. The magnetic ordering of these modifications is varying from noncollinear antiferromagnetic in the hexagonal case to ferrimagnetic order in the tetragonal one, whereas it is still unknown for the atomically disordered fcc structure. Here we study the onset of magnetic order at finite temperatures in these systems on a first-principles basis calculating the interatomic magnetic exchange interactions in the high-temperature paramagnetic regime. We employ the disordered local moment formalism and the magnetic force theorem within the framework of the local spin-density approximation and Monte Carlo simulations taking also the effects of atomic disorder in fcc alloys into account. In particular we find the origin of the stabilization of the noncollinear 3 k structure in competition between antiferromagnetic inter- and in-plane couplings of frustrated kagome planes in hexagonal M n3Ga and predict the antiferromagnetic-1 collinear order due to frustration in fcc alloys. Special attention is paid to the effects of the off-stoichiometry and the consequences of atomic disorder. We calculate the site-preference energy of Ga antisite atoms in the tetragonal structures in the range of the compositions from M n3Ga to M n2Ga and slightly beyond and confirm the earlier explanation of the effect of magnetization increase due to Ga preferentially occupying one of the Mn sites.

  10. Atomic study on the ordered structure in Al melts induced by liquid/substrate interface with Ti solute

    SciTech Connect

    Zhang, H. L.; Han, Y. F. E-mail: bdsun@sjtu.edu.cn; Zhou, W.; Dai, Y. B.; Wang, J.; Sun, B. D. E-mail: bdsun@sjtu.edu.cn

    2015-01-26

    Atomic ordering in Al melts induced by liquid/substrate interface with Ti solute was investigated by ab initio molecular dynamics simulations and in-situ synchrotron X-ray diffraction. It is predicted that deformed nanoscale ordering Al layers with a rhombohedral-centered hexagonal structure (R3{sup ¯}m space group) instead of the intrinsic fcc structure (Fm3{sup ¯}m space group) form on substrate at temperature above Al liquids. With Al atoms stacking away from the interface, the ordering structure reaches a critical thickness, which inhibits the consecutive stacking of Al atoms on substrates. The locally stacking reconstruction induced by Ti atom relieves the accumulated elastic strain energy in ordered Al layers, facilitating fully heterogeneous nucleation on substrate beyond the deformed ordering Al layer around the melting point. The roles of liquid/substrate interface with Ti solute in the physical behavior of heterogeneous nucleation on substrate were discussed.

  11. Structural and Kinetic Properties of Lumazine Synthase Isoenzymes in the Order Rhizobiales

    SciTech Connect

    Klinke,S.; Zylberman, V.; Bonomi, H.; Haase, I.; Guimaraes, B.; Braden, B.; Bacher, A.; Fischer, M.; Goldbaum, F.

    2007-01-01

    6, 7-Dimethyl-8-ribityllumazine synthase (lumazine synthase; LS) catalyzes the penultimate step in the biosynthesis of riboflavin in plants and microorganisms. This protein is known to exhibit different quaternary assemblies between species, existing as free pentamers, decamers (dimers of pentamers) and icosahedrally arranged dodecamers of pentamers. A phylogenetic analysis on eubacterial, fungal and plant LSs allowed us to classify them into two categories: Type I LSs (pentameric or icosahedral) and Type II LSs (decameric). The Rhizobiales represent an order of ?-proteobacteria that includes, among others, the genera Mesorhizobium, Agrobacterium and Brucella. Here, we present structural and kinetic studies on several LSs from Rhizobiales. Interestingly, Mesorhizobium and Brucella encode both a Type-I LS and a Type-II LS called RibH1 and RibH2, respectively. We show that Type II LSs appear to be almost inactive, whereas Type I LSs present a highly variable catalytic activity according to the genus. Additionally, we have solved four RibH1/RibH2 crystallographic structures from the genera Mesorhizobium and Brucella. The relationship between the active-site architecture and catalytic properties in these isoenzymes is discussed, and a model that describes the enzymatic behavior is proposed. Furthermore, sequence alignment studies allowed us to extend our results to the genus Agrobacterium. Our results suggest that the selective pressure controlling the riboflavin pathway favored the evolution of catalysts with low reaction rates, since the excess of flavins in the intracellular pool in Rhizobiales could act as a negative factor when these bacteria are exposed to oxidative or nitrosative stress.

  12. High prevalence of blaCTX-M-1/IncI1/ST3 and blaCMY-2/IncI1/ST2 plasmids in healthy urban dogs in France.

    PubMed

    Haenni, Marisa; Saras, Estelle; Métayer, Véronique; Médaille, Christine; Madec, Jean-Yves

    2014-09-01

    In the community, close contacts between humans and dogs may promote the transfer of extended-spectrum beta-lactamase/plasmidic AmpC cephalosporinase (ESBL/pAmpC) genes. Large-scale prevalence studies on ESBL/pAmpC carriage in dogs are rare, and data on ESBL/pAmpC plasmids are even more limited. Here, a considerable rate of 18.5% ESBL/pAmpC carriers was found among 368 unrelated healthy dogs in Paris, France. This prevalence is much higher than the one found in healthy humans in the same city (6%) but close to that recently reported in dogs in China (24.5%). All isolates were identified as Escherichia coli, except one Salmonella enterica and one Klebsiella pneumoniae isolate. The sequence type 131 (ST131) clone was rare (2/73 isolates). Interestingly, two plasmids (blaCTX-M-1/IncI1/ST3 and blaCMY-2/IncI1/ST2) were unexpectedly highly predominant, raising the question of their successful spread. Considering that CTX-M-1 was recently found to be equally as abundant as CTX-M-15 in healthy Parisian subjects, the question of dogs being a CTX-M-1 reservoir for humans is open. Such a high prevalence of the blaCMY-2/IncI1/ST2 plasmid may result from the use of cephalexin in veterinary medicine, as previously demonstrated experimentally. In all, our study points out healthy urban dogs as a potential source of ESBL/pAmpC genes that can further disseminate to the human community.

  13. High Prevalence of blaCTX-M-1/IncI1/ST3 and blaCMY-2/IncI1/ST2 Plasmids in Healthy Urban Dogs in France

    PubMed Central

    Saras, Estelle; Métayer, Véronique; Médaille, Christine; Madec, Jean-Yves

    2014-01-01

    In the community, close contacts between humans and dogs may promote the transfer of extended-spectrum beta-lactamase/plasmidic AmpC cephalosporinase (ESBL/pAmpC) genes. Large-scale prevalence studies on ESBL/pAmpC carriage in dogs are rare, and data on ESBL/pAmpC plasmids are even more limited. Here, a considerable rate of 18.5% ESBL/pAmpC carriers was found among 368 unrelated healthy dogs in Paris, France. This prevalence is much higher than the one found in healthy humans in the same city (6%) but close to that recently reported in dogs in China (24.5%). All isolates were identified as Escherichia coli, except one Salmonella enterica and one Klebsiella pneumoniae isolate. The sequence type 131 (ST131) clone was rare (2/73 isolates). Interestingly, two plasmids (blaCTX-M-1/IncI1/ST3 and blaCMY-2/IncI1/ST2) were unexpectedly highly predominant, raising the question of their successful spread. Considering that CTX-M-1 was recently found to be equally as abundant as CTX-M-15 in healthy Parisian subjects, the question of dogs being a CTX-M-1 reservoir for humans is open. Such a high prevalence of the blaCMY-2/IncI1/ST2 plasmid may result from the use of cephalexin in veterinary medicine, as previously demonstrated experimentally. In all, our study points out healthy urban dogs as a potential source of ESBL/pAmpC genes that can further disseminate to the human community. PMID:24982072

  14. DG-FTLE: Lagrangian coherent structures with high-order discontinuous-Galerkin methods

    NASA Astrophysics Data System (ADS)

    Nelson, Daniel A.; Jacobs, Gustaaf B.

    2015-08-01

    We present an algorithm for the computation of finite-time Lyapunov exponent (FTLE) fields using discontinuous-Galerkin (dG) methods in two dimensions. The algorithm is designed to compute FTLE fields simultaneously with the time integration of dG-based flow solvers of conservation laws. Fluid tracers are initialized at Gauss-Lobatto quadrature nodes within an element. The deformation gradient tensor, defined by the deformation of the Lagrangian flow map in finite time, is determined per element with high-order dG operators. Multiple flow maps are constructed from a particle trace that is released at a single initial time by mapping and interpolating the flow map formed by the locations of the fluid tracers after finite time integration to a unit square master element and to the quadrature nodes within the element, respectively. The interpolated flow maps are used to compute forward-time and backward-time FTLE fields at several times using dG operators. For a large finite integration time, the interpolation is increasingly poorly conditioned because of the excessive subdomain deformation. The conditioning can be used in addition to the FTLE to quantify the deformation of the flow field and identify subdomains with material lines that define Lagrangian coherent structures. The algorithm is tested on three benchmarks: an analytical spatially periodic gyre flow, a vortex advected by a uniform inviscid flow, and the viscous flow around a square cylinder. In these cases, the algorithm is shown to have spectral convergence.

  15. Three-dimensionally Ordered Macroporous Structure Enabled Nanothermite Membrane of Mn2O3/Al

    NASA Astrophysics Data System (ADS)

    Zheng, Guoqiang; Zhang, Wenchao; Shen, Ruiqi; Ye, Jiahai; Qin, Zhichun; Chao, Yimin

    2016-03-01

    Mn2O3 has been selected to realize nanothermite membrane for the first time in the literature. Mn2O3/Al nanothermite has been synthesized by magnetron sputtering a layer of Al film onto three-dimensionally ordered macroporous (3DOM) Mn2O3 skeleton. The energy release is significantly enhanced owing to the unusual 3DOM structure, which ensures Al and Mn2O3 to integrate compactly in nanoscale and greatly increase effective contact area. The morphology and DSC curve of the nanothermite membrane have been investigated at various aluminizing times. At the optimized aluminizing time of 30 min, energy release reaches a maximum of 2.09 kJ•g‑1, where the Al layer thickness plays a decisive role in the total energy release. This method possesses advantages of high compatibility with MEMS and can be applied to other nanothermite systems easily, which will make great contribution to little-known nanothermite research.

  16. Bridging Three Orders of Magnitude: Multiple Scattered Waves Sense Fractal Microscopic Structures via Dispersion

    NASA Astrophysics Data System (ADS)

    Lambert, Simon A.; Näsholm, Sven Peter; Nordsletten, David; Michler, Christian; Juge, Lauriane; Serfaty, Jean-Michel; Bilston, Lynne; Guzina, Bojan; Holm, Sverre; Sinkus, Ralph

    2015-08-01

    Wave scattering provides profound insight into the structure of matter. Typically, the ability to sense microstructure is determined by the ratio of scatterer size to probing wavelength. Here, we address the question of whether macroscopic waves can report back the presence and distribution of microscopic scatterers despite several orders of magnitude difference in scale between wavelength and scatterer size. In our analysis, monosized hard scatterers 5 μ m in radius are immersed in lossless gelatin phantoms to investigate the effect of multiple reflections on the propagation of shear waves with millimeter wavelength. Steady-state monochromatic waves are imaged in situ via magnetic resonance imaging, enabling quantification of the phase velocity at a voxel size big enough to contain thousands of individual scatterers, but small enough to resolve the wavelength. We show in theory, experiments, and simulations that the resulting coherent superposition of multiple reflections gives rise to power-law dispersion at the macroscopic scale if the scatterer distribution exhibits apparent fractality over an effective length scale that is comparable to the probing wavelength. Since apparent fractality is naturally present in any random medium, microstructure can thereby leave its fingerprint on the macroscopically quantifiable power-law exponent. Our results are generic to wave phenomena and carry great potential for sensing microstructure that exhibits intrinsic fractality, such as, for instance, vasculature.

  17. Nonlinear Reduced Order Random Response Analysis of Structures With Shallow Curvature

    NASA Technical Reports Server (NTRS)

    Przekop, Adam; Rizzi, Stephen A.

    2005-01-01

    The goal of this investigation is to further develop nonlinear modal numerical simulation methods for application to geometrically nonlinear response of structures with shallow curvature under random loadings. For reduced order analysis, the modal basis selection must be capable of reflecting the coupling in both the linear and nonlinear stiffness. For the symmetric shallow arch under consideration, four categories of modal basis functions are defined. Those having symmetric transverse displacements (ST modes) can be designated as transverse dominated (ST-T) modes and in-plane dominated (ST-I) modes. Those having anti-symmetric transverse displacements (AT modes) can similarly be designated as transverse dominated (AT-T) modes and in-plane dominated (AT-I) modes. The response of an aluminum arch under a uniformly distributed transverse random loading is investigated. Results from nonlinear modal simulations made using various modal bases are compared with those obtained from a numerical simulation in physical degrees-of-freedom. While inclusion of ST-T modes is important for all response regimes, it is found that the ST-I modes become increasingly important in the nonlinear response regime, and that AT-T and AT-I modes are critical in the autoparametric regime.

  18. Nonlinear Reduced Order Random Response Analysis of Structures with Shallow Curvature

    NASA Technical Reports Server (NTRS)

    Przekop, Adam; Rizzi, Stephen A.

    2006-01-01

    The goal of this investigation is to further develop nonlinear modal numerical simulation methods for application to geometrically nonlinear response of structures with shallow curvature under random loadings. For reduced order analysis, the modal basis selection must be capable of reflecting the coupling in both the linear and nonlinear stiffness. For the symmetric shallow arch under consideration, four categories of modal basis functions are defined. Those having symmetric transverse displacements (ST modes) can be designated as transverse dominated (ST-T) modes and in-plane dominated (ST-I) modes. Those having anti-symmetric transverse displacements (AT modes) can similarly be designated as transverse dominated (AT-T) modes and in-plane dominated (AT-I) modes. The response of an aluminum arch under a uniformly distributed transverse random loading is investigated. Results from nonlinear modal simulations made using various modal bases are compared with those obtained from a numerical simulation in physical degrees-of-freedom. While inclusion of ST-T modes is important for all response regimes, it is found that the ST-I modes become increasingly important in the nonlinear response regime, and that AT-T and AT-I modes are critical in the autoparametric regime.

  19. Three-dimensionally Ordered Macroporous Structure Enabled Nanothermite Membrane of Mn2O3/Al

    PubMed Central

    Zheng, Guoqiang; Zhang, Wenchao; Shen, Ruiqi; Ye, Jiahai; Qin, Zhichun; Chao, Yimin

    2016-01-01

    Mn2O3 has been selected to realize nanothermite membrane for the first time in the literature. Mn2O3/Al nanothermite has been synthesized by magnetron sputtering a layer of Al film onto three-dimensionally ordered macroporous (3DOM) Mn2O3 skeleton. The energy release is significantly enhanced owing to the unusual 3DOM structure, which ensures Al and Mn2O3 to integrate compactly in nanoscale and greatly increase effective contact area. The morphology and DSC curve of the nanothermite membrane have been investigated at various aluminizing times. At the optimized aluminizing time of 30 min, energy release reaches a maximum of 2.09 kJ∙g−1, where the Al layer thickness plays a decisive role in the total energy release. This method possesses advantages of high compatibility with MEMS and can be applied to other nanothermite systems easily, which will make great contribution to little-known nanothermite research. PMID:26935405

  20. Higher-Order Theory: Structural/MicroAnalysis Code (HOTSMAC) Developed

    NASA Technical Reports Server (NTRS)

    Arnold, Steven M.

    2002-01-01

    The full utilization of advanced materials (be they composite or functionally graded materials) in lightweight aerospace components requires the availability of accurate analysis, design, and life-prediction tools that enable the assessment of component and material performance and reliability. Recently, a new commercially available software product called HOTSMAC (Higher-Order Theory--Structural/MicroAnalysis Code) was jointly developed by Collier Research Corporation, Engineered Materials Concepts LLC, and the NASA Glenn Research Center under funding provided by Glenn's Commercial Technology Office. The analytical framework for HOTSMAC is based on almost a decade of research into the coupled micromacrostructural analysis of heterogeneous materials. Consequently, HOTSMAC offers a comprehensive approach for analyzing/designing the response of components with various microstructural details, including certain advantages not always available in standard displacement-based finite element analysis techniques. The capabilities of HOTSMAC include combined thermal and mechanical analysis, time-independent and time-dependent material behavior, and internal boundary cells (e.g., those that can be used to represent internal cooling passages, see the preceding figure) to name a few. In HOTSMAC problems, materials can be randomly distributed and/or functionally graded (as shown in the figure, wherein the inclusions are distributed linearly), or broken down by strata, such as in the case of thermal barrier coatings or composite laminates.

  1. Engineering lipid structure for recognition of the liquid ordered membrane phase

    DOE PAGES

    Bordovsky, Stefan S.; Wong, Christopher S.; Bachand, George D.; ...

    2016-08-26

    The selective partitioning of lipid components in phase-separated membranes is essential for domain formation involved in cellular processes. Identifying and tracking the movement of lipids in cellular systems would be improved if we understood how to achieve selective affinity between fluorophore-labeled lipids and membrane assemblies. Furthermore, we investigated the structure and chemistry of membrane lipids to evaluate lipid designs that partition to the liquid ordered (Lo) phase. A range of fluorophores at the headgroup position and lengths of PEG spacer between the lipid backbone and fluorophore were examined. On a lipid body with saturated palmityl or palmitoyl tails, we foundmore » that although the lipid tails can direct selective partitioning to the Lo phase through favorable packing interactions, headgroup hydrophobicity can override the partitioning behavior and direct the lipid to the disordered membrane phase (Ld). The PEG spacer can serve as a buffer to mute headgroup–membrane interactions and thus improve Lo phase partitioning, but its effect is limited with strongly hydrophobic fluorophore headgroups. We present a series of lipid designs leading to the development of novel fluorescently labeled lipids with selective affinity for the Lo phase.« less

  2. Engineering lipid structure for recognition of the liquid ordered membrane phase

    SciTech Connect

    Bordovsky, Stefan S.; Wong, Christopher S.; Bachand, George D.; Stachowiak, Jeanne C.; Sasaki, Darryl Y.

    2016-08-26

    The selective partitioning of lipid components in phase-separated membranes is essential for domain formation involved in cellular processes. Identifying and tracking the movement of lipids in cellular systems would be improved if we understood how to achieve selective affinity between fluorophore-labeled lipids and membrane assemblies. Furthermore, we investigated the structure and chemistry of membrane lipids to evaluate lipid designs that partition to the liquid ordered (Lo) phase. A range of fluorophores at the headgroup position and lengths of PEG spacer between the lipid backbone and fluorophore were examined. On a lipid body with saturated palmityl or palmitoyl tails, we found that although the lipid tails can direct selective partitioning to the Lo phase through favorable packing interactions, headgroup hydrophobicity can override the partitioning behavior and direct the lipid to the disordered membrane phase (Ld). The PEG spacer can serve as a buffer to mute headgroup–membrane interactions and thus improve Lo phase partitioning, but its effect is limited with strongly hydrophobic fluorophore headgroups. We present a series of lipid designs leading to the development of novel fluorescently labeled lipids with selective affinity for the Lo phase.

  3. Bridging Three Orders of Magnitude: Multiple Scattered Waves Sense Fractal Microscopic Structures via Dispersion.

    PubMed

    Lambert, Simon A; Näsholm, Sven Peter; Nordsletten, David; Michler, Christian; Juge, Lauriane; Serfaty, Jean-Michel; Bilston, Lynne; Guzina, Bojan; Holm, Sverre; Sinkus, Ralph

    2015-08-28

    Wave scattering provides profound insight into the structure of matter. Typically, the ability to sense microstructure is determined by the ratio of scatterer size to probing wavelength. Here, we address the question of whether macroscopic waves can report back the presence and distribution of microscopic scatterers despite several orders of magnitude difference in scale between wavelength and scatterer size. In our analysis, monosized hard scatterers 5  μm in radius are immersed in lossless gelatin phantoms to investigate the effect of multiple reflections on the propagation of shear waves with millimeter wavelength. Steady-state monochromatic waves are imaged in situ via magnetic resonance imaging, enabling quantification of the phase velocity at a voxel size big enough to contain thousands of individual scatterers, but small enough to resolve the wavelength. We show in theory, experiments, and simulations that the resulting coherent superposition of multiple reflections gives rise to power-law dispersion at the macroscopic scale if the scatterer distribution exhibits apparent fractality over an effective length scale that is comparable to the probing wavelength. Since apparent fractality is naturally present in any random medium, microstructure can thereby leave its fingerprint on the macroscopically quantifiable power-law exponent. Our results are generic to wave phenomena and carry great potential for sensing microstructure that exhibits intrinsic fractality, such as, for instance, vasculature.

  4. On bulk singularity structures and all order α‧ contact terms of BPS string amplitudes

    NASA Astrophysics Data System (ADS)

    Hatefi, Ehsan

    2016-10-01

    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 ∫d2 z | 1 - z|a | z|b(z - z bar) c(z + z bar) 3 on upper half plane as well.

  5. Long-Range Order and Fractality in the Structure and Organization of Eukaryotic Genomes

    NASA Astrophysics Data System (ADS)

    Polychronopoulos, Dimitris; Tsiagkas, Giannis; Athanasopoulou, Labrini; Sellis, Diamantis; Almirantis, Yannis

    2014-12-01

    The late Professor J.S. Nicolis always emphasized, both in his writings and in presentations and discussions with students and friends, the relevance of a dynamical systems approach to biology. In particular, viewing the genome as a "biological text" captures the dynamical character of both the evolution and function of the organisms in the form of correlations indicating the presence of a long-range order. This genomic structure can be expressed in forms reminiscent of natural languages and several temporal and spatial traces l by the functioning of dynamical systems: Zipf laws, self-similarity and fractality. Here we review several works of our group and recent unpublished results, focusing on the chromosomal distribution of biologically active genomic components: Genes and protein-coding segments, CpG islands, transposable elements belonging to all major classes and several types of conserved non-coding genomic elements. We report the systematic appearance of power-laws in the size distribution of the distances between elements belonging to each of these types of functional genomic elements. Moreover, fractality is also found in several cases, using box-counting and entropic scaling.We present here, for the first time in a unified way, an aggregative model of the genomic dynamics which can explain the observed patterns on the grounds of known phenomena accompanying genome evolution. Our results comply with recent findings about a "fractal globule" geometry of chromatin in the eukaryotic nucleus.

  6. The Beck Depression Inventory: A Cross-Validated Test of Second-Order Factorial Structure for Bulgarian Adolescents.

    ERIC Educational Resources Information Center

    Byrne, Barbara M.; Baron, Pierre; Balev, Jorj

    1998-01-01

    The validity of a higher order factorial structure of a Bulgarian version of the Beck Depression Inventory (BDI) (A. Beck et al, 1961) for nonclinical adolescents was studied with 3 samples totaling 691. Findings yielded strong support for the hypothesized second-order factor, adding to a growing cross-cultural agglomerate of construct validity…

  7. Kermesite, Sb2S2O: crystal structure revision and order-disorder interpretation.

    PubMed

    Hybler, Jiří; Durovič, Slavomil

    2013-12-01

    Kermesite, Sb2S2O, is a desymmetrized order-disorder (OD) structure of layers. Two data sets were recorded using twinned crystals from Pezinok, Slovakia (named as Pz21, Pz24). The primitive unit cell is triclinic, P1, Z = 4, cell parameters are a = 8.1416 (3), b = 10.6968 (3), c = 5.7835 (2) Å, α = 102.758 (3), β = 110.657 (3), γ = 101.020 (3)°, R(obs) = 0.0243 (Pz21), and a = 8.1372 (2), b = 10.6969 (2), c = 5.7840 (1) Å, α = 102.787 (2), β = 110.606 (2), γ = 100.983 (2)°, R(obs) = 0.0321 (Pz24). The structure can also be described in the non-standard pseudo-monoclinic octuple (Z = 32), F-centered (Kupčík) cell with extra points in 1/4,1/4,0; 1/4,3/4,1/2; 3/4,1/4,1/2; 3/4,3/4,0, with parameters a = 21.6466 (9), b = 8.1416 (3), c = 20.3824 (9) Å, α = 90.079 (4), β = 101.985 (5), γ = 89.948 (4)° (Pz21), and a = 21.6558 (5), b = 8.1372 (2), c = 20.3859 (8) Å, α = 90.028 (3), β = 101.994 (3), γ = 89.986 (2)° (Pz24). The structure is built of layers parallel to the bc plane, stacked along the a vector of the octuple cell, composed of ribbons parallel to the b vector: (i) ribbon of two strips of SbO5 flattened quadrangular pyramids, sharing apical edges; (ii) ribbon of edge-sharing corrugated lozenges SbO3S. Basal S atoms of pyramids share corners of lozenges. Sb atoms are displaced out of coordination polyhedra into the inter-layer space. The OD layer comprises adjacent halves of the structure building layers. The layer group is A(1)2/m1, the protocell is defined by b, c, (a/4)sin β. The MDO1 (4A) polytype is generated by repetition of the t(1,1/4,0) [or alternatively t(1,-1/4,0)] translation. The co-existence of two kinds of domains give rise to the twinning. The twin operation is 2[010], twin index 2. The total continuation of [. a2 .] generates the MDO2 (2M) polytype, space group A12/a1. Simulated and real diffraction patterns are presented. The important values (edges, angles) and

  8. Static structural signatures of nearly jammed disordered and ordered hard-sphere packings: Direct correlation function

    NASA Astrophysics Data System (ADS)

    Atkinson, Steven; Stillinger, Frank H.; Torquato, Salvatore

    2016-09-01

    The nonequilibrium process by which hard-particle systems may be compressed into disordered, jammed states has received much attention because of its wide utility in describing a broad class of amorphous materials. While dynamical signatures are known to precede jamming, the task of identifying static structural signatures indicating the onset of jamming have proven more elusive. The observation that compressing hard-particle packings towards jamming is accompanied by an anomalous suppression of density fluctuations (termed "hyperuniformity") has paved the way for the analysis of jamming as an "inverted critical point" in which the direct correlation function c (r ) , rather than the total correlation function h (r ) , diverges. We expand on the notion that c (r ) provides both universal and protocol-specific information as packings approach jamming. By considering the degree and position of singularities (discontinuities in the n th derivative) as well as how they are changed by the convolutions found in the Ornstein-Zernike equation, we establish quantitative statements about the structure of c (r ) with regards to singularities it inherits from h (r ) . These relations provide a concrete means of identifying features that must be expressed in c (r ) if one hopes to reproduce various details in the pair correlation function accurately and provide stringent tests on the associated numerics. We also analyze the evolution of systems of three-dimensional monodisperse hard spheres of diameter D as they approach ordered and disordered jammed configurations. For the latter, we use the Lubachevsky-Stillinger (LS) molecular dynamics and Torquato-Jiao (TJ) sequential linear programming algorithms, which both generate disordered packings, but can show perceptible structural differences. We identify a short-ranged scaling c (r )∝-1 /r as r →0 that accompanies the formation of the delta function at c (D ) that indicates the formation of contacts in all cases, and show

  9. Static structural signatures of nearly jammed disordered and ordered hard-sphere packings: Direct correlation function.

    PubMed

    Atkinson, Steven; Stillinger, Frank H; Torquato, Salvatore

    2016-09-01

    The nonequilibrium process by which hard-particle systems may be compressed into disordered, jammed states has received much attention because of its wide utility in describing a broad class of amorphous materials. While dynamical signatures are known to precede jamming, the task of identifying static structural signatures indicating the onset of jamming have proven more elusive. The observation that compressing hard-particle packings towards jamming is accompanied by an anomalous suppression of density fluctuations (termed "hyperuniformity") has paved the way for the analysis of jamming as an "inverted critical point" in which the direct correlation function c(r), rather than the total correlation function h(r), diverges. We expand on the notion that c(r) provides both universal and protocol-specific information as packings approach jamming. By considering the degree and position of singularities (discontinuities in the nth derivative) as well as how they are changed by the convolutions found in the Ornstein-Zernike equation, we establish quantitative statements about the structure of c(r) with regards to singularities it inherits from h(r). These relations provide a concrete means of identifying features that must be expressed in c(r) if one hopes to reproduce various details in the pair correlation function accurately and provide stringent tests on the associated numerics. We also analyze the evolution of systems of three-dimensional monodisperse hard spheres of diameter D as they approach ordered and disordered jammed configurations. For the latter, we use the Lubachevsky-Stillinger (LS) molecular dynamics and Torquato-Jiao (TJ) sequential linear programming algorithms, which both generate disordered packings, but can show perceptible structural differences. We identify a short-ranged scaling c(r)∝-1/r as r→0 that accompanies the formation of the delta function at c(D) that indicates the formation of contacts in all cases, and show that this scaling

  10. Impact of Implementing a Wiki to Develop Structured Electronic Order Sets on Physicians' Intention to Use Wiki-Based Order Sets

    PubMed Central

    Beaupré, Pierre; Bégin, Laura; Dupuis, Audrey; Côté, Mario; Légaré, France

    2016-01-01

    Background Wikis have the potential to promote best practices in health systems by sharing order sets with a broad community of stakeholders. However, little is known about the impact of using a wiki on clinicians’ intention to use wiki-based order sets. Objective The aims of this study were: (1) to describe the use of a wiki to create structured order sets for a single emergency department; (2) to evaluate whether the use of this wiki changed emergency physicians’ future intention to use wiki-based order sets; and (3) to understand the impact of using the wiki on the behavioral determinants for using wiki-based order sets. Methods This was a pre/post-intervention mixed-methods study conducted in one hospital in Lévis, Quebec. The intervention was comprised of receiving access to and being motivated by the department head to use a wiki for 6 months to create electronic order sets designed to be used in a computer physician order entry system. Before and after our intervention, we asked participants to complete a previously validated questionnaire based on the Theory of Planned Behavior. Our primary outcome was the intention to use wiki-based order sets in clinical practice. We also assessed participants’ attitude, perceived behavioral control, and subjective norm to use wiki-based order sets. Paired pre- and post-Likert scores were compared using Wilcoxon signed-rank tests. The post-questionnaire also included open-ended questions concerning participants’ comments about the wiki, which were then classified into themes using an existing taxonomy. Results Twenty-eight emergency physicians were enrolled in the study (response rate: 100%). Physicians’ mean intention to use a wiki-based reminder was 5.42 (SD 1.04) before the intervention, and increased to 5.81 (SD 1.25) on a 7-point Likert scale (P=.03) after the intervention. Participants’ attitude towards using a wiki-based order set also increased from 5.07 (SD 0.90) to 5.57 (SD 0.88) (P=.003). Perceived

  11. PREFACE: PAGES 1st Young Scientists Meeting (YSM) - 'Retrospective views on our planet's future'

    NASA Astrophysics Data System (ADS)

    Cléroux, Caroline; Fehrenbacher, Jennifer; Phipps, Steven; Rupper, Summer; Williams, Branwen; Kiefer, Thorsten

    2010-03-01

    more recent pollution. The concept and format of the 1st PAGES YSM worked very well, and created a high degree of enthusiasm and stimulation among the participants (as is demonstrated by this special issue). The 2nd YSM is therefore firmly planned to take place in 2013, back-to-back with the 4th PAGES OSM. Crucial and gratefully acknowledged contributions to the success of the YSM were made by the numerous co-sponsors (see logos below), who provided the financial basis for the YSM and supported the attendance of many early-career researchers from various parts of the world. Furthermore, we cordially thank all reviewers for shaping this proceeding issue with their insightful and helpful reviews. Conference photograph

  12. 3 CFR 13587 - Executive Order 13587 of October 7, 2011. Structural Reforms To Improve the Security of...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... vulnerabilities that require coordinated decisions on risk management. This order directs structural reforms to... responsibility for meeting these twin goals. These structural reforms will ensure coordinated interagency... into account risk levels, as well as the distinct needs, missions, and systems of individual...

  13. Photoluminescence polarization anisotropy for studying long-range structural ordering within semiconductor multi-atomic alloys and organic crystals

    SciTech Connect

    Prutskij, T.; Percino, J.; Orlova, T.; Vavilova, L.

    2013-12-04

    Long-range structural ordering within multi-component semiconductor alloys and organic crystals leads to significant optical anisotropy and, in particular, to anisotropy of the photoluminescence (PL) emission. The PL emission of ternary and quaternary semiconductor alloys is polarized if there is some amount of the atomic ordering within the crystal structure. We analyze the polarization of the PL emission from the quaternary GaInAsP semiconductor alloy grown by Liquid Phase Epitaxy (LPE) and conclude that it could be caused by low degree atomic ordering within the crystal structure together with the thermal biaxial strain due to difference between the thermal expansion coefficients of the layer and the substrate. We also study the state of polarization of the PL from organic crystals in order to identify different features of the crystal PL spectrum.

  14. A XANES and Raman investigation of sulfur speciation and structural order in Murchison and Allende meteorites

    NASA Astrophysics Data System (ADS)

    Bose, M.; Root, R. A.; Pizzarello, S.

    2017-03-01

    Insoluble organic matter (IOM) and hydrothermally treated IOM extracted from two carbonaceous chondrites, Murchison and Allende, was studied using sulfur K-edge XANES (X-ray absorption near edge structure) and μ-Raman spectroscopy, with the aim to understand their IOM's sulfur speciation and structural order, and how aqueous alteration or thermal metamorphism may have transformed these materials. We found that the sulfur-functional group chemistry of both the Murchison IOM and hydrothermally treated IOM samples have a large chemical variability ranging from oxidation states of S-2 to S+6, and exhibit a transformation in their oxidation state after the hydrothermal treatment (HT) to produce thiophenes and thiol compounds. Sulfoxide and sulfite peaks are also present in Murchison. Sulfates considered intrinsic to Murchison are most likely preaccretionary in nature, and not a result of reactions with water at high temperatures on the asteroid parent body. We argue that the reduced sulfides may have formed in the CM parent body, while the thiophenes and thiol compounds are a result of the HT. Micro-Raman spectra show the presence of aliphatic and aromatic moieties in Murchison's material as observed previously, which exhibits no change after HT. Because the Murchison IOM was modified, as seen by XANES analysis, absence of a change observed using micro-Raman indicated that although the alkyl carbons of IOM were cleaved, the aromatic network was not largely modified after HT. By contrast, Allende IOM contains primarily disulfide and elemental sulfur, no organic sulfur, and shows no transformation after HT. This nontransformation of Allende IOM after HT would indicate that parent body alteration of sulfide to sulfate is not feasible up to temperatures of 300°C. The reduced sulfur products indicate extreme secondary chemical processing from the precursor compounds in its parent body at temperatures as high as 624°C, as estimated from μ-Raman D band parameters. The

  15. Fabrication of silica moth-eye structures by photo-nanoimprinting using ordered anodic porous alumina molds

    NASA Astrophysics Data System (ADS)

    Yanagishita, Takashi; Endo, Takahide; Nishio, Kazuyuki; Masuda, Hideki

    2014-01-01

    Moth-eye structures composed of an ordered array of tapered SiO2 pillars were fabricated by photo-nanoimprinting using anodic porous alumina as a mold. The formation of SiO2 moth-eye structures was carried out using a photosensitive polysilane solution as a precursor of silica. The SiO2 moth-eye structures formed on the surface of a glass plate effectively suppressed the reflection of incident light.

  16. Density dependence of hydrogen bonding and the translational-orientational structural order in supercritical water: a molecular dynamics study.

    PubMed

    Ma, Haibo; Ma, Jing

    2011-08-07

    Molecular dynamics simulation have been performed with a wide range of densities along a near critical isotherm of supercritical water (SCW) in order to study the density dependence of the structure order and hydrogen bonding (HB). It is revealed that the translational structure order is nearly invariant while the orientational tetrahedral structure order is very sensitive to the bulk density under supercritical conditions. Meanwhile, some energetically unfavorable intermediate water dimer structures are found to appear under supercritical conditions due to the reduced energy difference and the enhanced energy fluctuation. As a consequence, a general geometrical criterion or the inclusion of a energy-based criterion instead of currently widely adopted pure r(OH)-based geometric criterion is suggested to be used in the HB statistics under supercritical conditions. It is found that the average HB number per H(2)O molecule (n(HB)) reduces with the decreasing SCW bulk density although a given pair of H(2)O molecules are shown to have a stronger ability to form a hydrogen bond under lower SCW bulk densities. Accordingly, the orientational tetrahedral structure order q decreases with the reducing bulk density under supercritical conditions. However, when the fluid is dilute with ρ ≤ 0.19ρ(c) (ρ(c) = 0.322 g/cm(3)), the energy fluctuation increases sharply and the short-range order is destroyed, signifying the supercritical fluid (SCF)-gas state transition. Accordingly, the orientational tetrahedral structure order q gets reversal around ρ = 0.19ρ(c) and approaches zero under very dilute conditions. The sensitivity of the orientational order to the density implies the microscopic origin of the significant dependence of SCF's physicochemical properties on the pressure.

  17. An X-Ray Absorption Fine Structure Study of Ordering in Polythiophene Thin Films

    DTIC Science & Technology

    1993-09-01

    within experimental error. As a result. XAFS spectroscopy has been shown to be a useful technique for investigating the molecular structure of an...3413300 13400 13500 13600 Energy (eV) Figure 19: Br K-edge X-ray . . bsorption Near Edge Structure for 2,5 dibromothiophene collected in transmission...Structure spectroscopy as a useful technique for investigating structures of materials with potential laser- hardening applications. The near-atomic

  18. Structural ordering at solid-liquid interfaces in Al-Sm system: A molecular-dynamics study

    DOE PAGES

    Sun, Yang; Zhang, Feng; Ye, Zhuo; ...

    2016-07-12

    The structural ordering at solid-liquid interfaces far from equilibrium is studied with molecular dynamics simulations for the Al-Sm system. Using the van-Hove self-correlation function as the criterion to identify attachment/detachment events that occur at the interface, we are able to determine the time-dependent interface position, and characterize the detailed interfacial structure ordering surrounding the attached atoms. For the interface between an undercooled Al90Sm10 liquid and a metastable cubic structure, the solid induces the crystalline order of the cubic phase in the liquid layers, promoting the continuous growth of the crystal phase. When the same liquid is put in contact withmore » f.c.c. Al, Sm from the liquid can still attach to the solid interface despite its insolubility in the Al lattice. Non-f.c.c. order is revealed surrounding the attached Sm atoms. Lastly, we show that the local structure ordering at interface is highly correlated to solid packing and liquid ordering.« less

  19. Structural ordering at solid-liquid interfaces in Al-Sm system: A molecular-dynamics study

    SciTech Connect

    Sun, Yang; Zhang, Feng; Ye, Zhuo; Ding, Zejun; Mendelev, Mikhail I.; Kramer, Matthew J.; Wang, Cai -Zhuang; Ho, Kai -Ming

    2016-07-12

    The structural ordering at solid-liquid interfaces far from equilibrium is studied with molecular dynamics simulations for the Al-Sm system. Using the van-Hove self-correlation function as the criterion to identify attachment/detachment events that occur at the interface, we are able to determine the time-dependent interface position, and characterize the detailed interfacial structure ordering surrounding the attached atoms. For the interface between an undercooled Al90Sm10 liquid and a metastable cubic structure, the solid induces the crystalline order of the cubic phase in the liquid layers, promoting the continuous growth of the crystal phase. When the same liquid is put in contact with f.c.c. Al, Sm from the liquid can still attach to the solid interface despite its insolubility in the Al lattice. Non-f.c.c. order is revealed surrounding the attached Sm atoms. Lastly, we show that the local structure ordering at interface is highly correlated to solid packing and liquid ordering.

  20. Iron Sappers Lead the Way: The 16th Engineer Battalion’s Support of 1st Armored Division in Southwest Asia

    DTIC Science & Technology

    1993-03-30

    limited value due to the availability of double impulse, blast resistant mines and the success of the tank plow. The GEMSS ( ground emplaced mine...34 Ironsides (Ansbach, Germany), 5 July 1991, p. 10. Headquarters, Phantom Brigade, 1st Armored Division. "DESERT SHIELD and DESERT STORM After Action...govemment agency. IRON SAPPERS LEAD THE WAY: THE 16TH ENGINEER BATTALION’S SUPPORT OF 1ST ARMORED DIVISION IN SOUTHWEST ASIA BY LIEUTENANT COLONEL

  1. The Structural and Rank-Order Stability of Temperament in Young Children Based on a Laboratory-Observational Measure

    PubMed Central

    Dyson, Margaret W.; Olino, Thomas M.; Durbin, C. Emily; Goldsmith, H. Hill; Bufferd, Sara J.; Miller, Anna R.; Klein, Daniel N.

    2015-01-01

    It is generally assumed that temperament traits exhibit structural and rank-order stability over time. Most of the research on structural and rank-order stability has relied on parent-report measures. The present study used an alternative approach, a laboratory-observational measure (Laboratory Temperament Assessment Battery [Lab-TAB]), to examine the structural and rank-order stability of temperament traits in a community sample of young children (N = 447). Using structural equation modeling (SEM), we found that a similar five-factor structure consisting of the dimensions of Positive Affect/Interest, Sociability, Dysphoria, Fear/Inhibition, and Impulsivity vs. Constraint provided an adequate fit to the data at both age 3 and 6 years, suggesting good structural stability. Moreover, all five latent factors exhibited significant, albeit modest, rank-order stability from age 3 to 6. In addition, there were significant heterotypic associations of age 3 Sociability with age 6 PA/Interest, and age 3 Impulsivity vs. Constraint with age 6 Fear/Inhibition. PMID:25894709

  2. The structural and rank-order stability of temperament in young children based on a laboratory-observational measure.

    PubMed

    Dyson, Margaret W; Olino, Thomas M; Durbin, C Emily; Goldsmith, H Hill; Bufferd, Sara J; Miller, Anna R; Klein, Daniel N

    2015-12-01

    It is generally assumed that temperament traits exhibit structural and rank-order stability over time. Most of the research on structural and rank-order stability has relied on parent-report measures. The present study used an alternative approach, a laboratory-observational measure (Laboratory Temperament Assessment Battery [Lab-TAB]), to examine the structural and rank-order stability of temperament traits in a community sample of young children (N = 447). Using structural equation modeling (SEM), we found that a similar 5-factor structure consisting of the dimensions of positive affect (PA)/interest, sociability, dysphoria, fear/inhibition, and impulsivity versus constraint provided an adequate fit to the data at both age 3 and 6 years, suggesting good structural stability. Moreover, all 5 latent factors exhibited significant, albeit modest, rank-order stability from age 3 to 6. In addition, there were significant heterotypic associations of age-3 sociability with age-6 PA/interest, and age-3 impulsivity versus constraint with age-6 fear/inhibition.

  3. Sandwich-type polymer nanofiber structure of poly(furfuryl alcohol): an effective template for ordered porous films.

    PubMed

    Gao, Feng; Lu, Qingyi; Pang, Huan; Komarneni, Sridhar

    2009-09-17

    A brand new sandwich-type poly(furfuryl alcohol) (PFA) nanostructure as well as ordered PFA nanofiber arrays has been successfully obtained through a novel two-step polymerization method by using a porous alumina membrane as the template. This novel structure is made up of ordered PFA nanopillars supported by two PFA films on the top and bottom. The thickness of the PFA films on both sides could be adjusted from several micrometers to tens of micrometers, and the flexibility of the membrane could be controlled in a certain range. This sandwich-type polymer nanostructure can be used as an effective template for constructing other ordered porous films resembling the structure of the parent alumina membrane, and in this study, ordered porous titania membrane has been successfully obtained. Theoretically, many other novel porous (or meso- and macro-mixed porous) materials could be synthesized through this novel template.

  4. Show & Tell. Proceedings of the Ontario Universities' Conference (1st, Guelph, Canada, May 1987).

    ERIC Educational Resources Information Center

    Herrmann, Thom, Ed.

    Twenty-three conference papers focus on the use of information technology in Ontario's technical colleges and universities: "The Analytic Criticism Module--Authorial Structures & Design" (P. Beam); "Computing by Design" (R. D. Brown & J. D. Milliken); "Engineers and Computers" (P. S. Chisholm, M. Iwaniw, and…

  5. PcG-Mediated Higher-Order Chromatin Structures Modulate Replication Programs at the Drosophila BX-C

    PubMed Central

    Comoglio, Federico; De Bardi, Marco; Paro, Renato; Orlando, Valerio

    2013-01-01

    Polycomb group proteins (PcG) exert conserved epigenetic functions that convey maintenance of repressed transcriptional states, via post-translational histone modifications and high order structure formation. During S-phase, in order to preserve cell identity, in addition to DNA information, PcG-chromatin-mediated epigenetic signatures need to be duplicated requiring a tight coordination between PcG proteins and replication programs. However, the interconnection between replication timing control and PcG functions remains unknown. Using Drosophila embryonic cell lines, we find that, while presence of specific PcG complexes and underlying transcription state are not the sole determinants of cellular replication timing, PcG-mediated higher-order structures appear to dictate the timing of replication and maintenance of the silenced state. Using published datasets we show that PRC1, PRC2, and PhoRC complexes differently correlate with replication timing of their targets. In the fully repressed BX-C, loss of function experiments revealed a synergistic role for PcG proteins in the maintenance of replication programs through the mediation of higher-order structures. Accordingly, replication timing analysis performed on two Drosophila cell lines differing for BX-C gene expression states, PcG distribution, and chromatin domain conformation revealed a cell-type-specific replication program that mirrors lineage-specific BX-C higher-order structures. Our work suggests that PcG complexes, by regulating higher-order chromatin structure at their target sites, contribute to the definition and the maintenance of genomic structural domains where genes showing the same epigenetic state replicate at the same time. PMID:23437006

  6. Expanding the Range of Protein Function at the Far End of the Order-Structure Continuum*

    PubMed Central

    Burger, Virginia M.; Nolasco, Diego O.; Stultz, Collin M.

    2016-01-01

    The traditional view of the structure-function paradigm is that a protein's function is inextricably linked to a well defined, three-dimensional structure, which is determined by the protein's primary amino acid sequence. However, it is now accepted that a number of proteins do not adopt a unique tertiary structure in solution and that some degree of disorder is required for many proteins to perform their prescribed functions. In this review, we highlight how a number of protein functions are facilitated by intrinsic disorder and introduce a new protein structure taxonomy that is based on quantifiable metrics of a protein's disorder. PMID:26851282

  7. Prediction of unusual stable ordered structures of Au-Pd alloys via a first-principles cluster expansion

    NASA Astrophysics Data System (ADS)

    Barabash, Sergey V.; Blum, Volker; Müller, Stefan; Zunger, Alex

    2006-07-01

    We describe an iterative procedure which yields an accurate cluster expansion for Au-Pd using only a limited number of ab initio formation enthalpies. Our procedure addresses two problems: (a) given the local-density-approximation (LDA) formation energies for a fixed set of structures, it finds the pair and many-body cluster interactions best able to predict the formation energies of new structures, and (b) given such pair and many-body interactions, it augments the LDA set of “input structures” by identifying additional structures that carry most information not yet included in the “input.” Neither step can be done by intuitive selection. Using methods including genetic algorithm and statistical analysis to iteratively solve these problems, we build a cluster expansion able to predict the formation enthalpy of an arbitrary fcc lattice configuration with precision comparable to that of ab initio calculations themselves. We also study possible competing non-fcc structures of Au-Pd, using the results of a “data mining” study. We then address the unresolved problem of bulk ordering in Au-Pd. Experimentally, the phase diagram of Au-Pd shows only a disordered solid solution. Even though the mixing enthalpy is negative, implying ordering, no ordered bulk phases have been detected. Thin film growth shows L12 -ordered structures with composition Au3Pd and AuPd3 and L10 structure with composition AuPd. We find that (i) all the ground states of Au-Pd are fcc structures; (ii) the low- T ordered states of bulk Au-Pd are different from those observed experimentally in thin films; specifically, the ordered bulk Au3Pd is stable in D023 structure and and AuPd in chalcopyritelike Au2Pd2 (201) superlattice structure, whereas thin films are seen in the L12 and L10 structures; (iii) AuPd3 L12 is stable and does not phase separate, contrary to the suggestions of an earlier investigation; (iv) at compositions around Au3Pd , we find several long-period superstructures (LPS

  8. Structure/processing relationships of highly ordered lead salt nanocrystal superlattices.

    PubMed

    Hanrath, Tobias; Choi, Joshua J; Smilgies, Detlef-M

    2009-10-27

    We investigated the influence of processing conditions, nanocrystal/substrate interactions and solvent evaporation rate on the ordering of strongly interacting nanocrystals by synergistically combining electron microscopy and synchrotron-based small-angle X-ray scattering analysis. Spin-cast PbSe nanocrystal films exhibited submicrometer-sized supracrystals with face-centered cubic symmetry and (001)(s) planes aligned parallel to the substrate. The ordering of drop-cast lead salt nanocrystal films was sensitive to the nature of the substrate and solvent evaporation dynamics. Nanocrystal films drop-cast on rough indium tin oxide substrates were polycrystalline with small grain size and low degree of orientation with respect to the substrate, whereas films drop-cast on flat Si substrates formed highly ordered face-centered cubic supracrystals with close-packed (111)(s) planes parallel to the substrate. The spatial coherence of nanocrystal films drop-cast in the presence of saturated solvent vapor was significantly improved compared to films drop-cast in a dry environment. Solvent vapor annealing was demonstrated as a postdeposition technique to modify the ordering of nanocrystals in the thin film. Octane vapor significantly improved the long-range order and degree of orientation of initially disordered or polycrystalline nanocrystal assemblies. Exposure to 1,2-ethanedithiol vapor caused partial displacement of surface bound oleic acid ligands and drastically degraded the degree of order in the nanocrystal assembly.

  9. Relationship between structural order and water-like anomalies in metastable liquid silicon: Ab initio molecular dynamics

    PubMed Central

    Zhao, G.; Yan, J. L.; Yu, Y. J.; Ding, M. C.; Zhao, X. G.; Wang, H. Y.

    2017-01-01

    The relationship between structural order and water-like anomalies in tetrahedral liquids is still open. Here, first-principle molecular dynamics are performed to study it in metastable liquid Si. It is found that in T-P phase diagram, there indeed exists a structural anomaly region, which encloses density anomaly but not diffusivity anomaly. This is consistent with that of SW Si and BKS SiO2 but different from that of SPC/E water. Two-body excess entropy anomaly can neither capture the diffusivity, structural, and density anomalies, as it can in a two-scale potential fluid. In structural anomaly region, tetrahedrality order qtetra (measuring the extent to which an atom and its four nearest neighbours adopt tetrahedral arrangement) and translational order ttrans (measuring the tendency of two atoms to adopt preferential separation) are not perfectly correlated, which is different from that in SW Si and renders it impossible to use the isotaxis line to quantify the degree of structural order needed for water-like anomalies to occur. Along the isotherm of critical temperature Tc, ttrans/qtetra is approximately linear with pressure. With decreasing pressure along the isotherm below Tc, ttrans/qtetra departs downward from the line, while it is the opposite case above Tc. PMID:28054595

  10. Relationship between structural order and water-like anomalies in metastable liquid silicon: Ab initio molecular dynamics

    NASA Astrophysics Data System (ADS)

    Zhao, G.; Yan, J. L.; Yu, Y. J.; Ding, M. C.; Zhao, X. G.; Wang, H. Y.

    2017-01-01

    The relationship between structural order and water-like anomalies in tetrahedral liquids is still open. Here, first-principle molecular dynamics are performed to study it in metastable liquid Si. It is found that in T-P phase diagram, there indeed exists a structural anomaly region, which encloses density anomaly but not diffusivity anomaly. This is consistent with that of SW Si and BKS SiO2 but different from that of SPC/E water. Two-body excess entropy anomaly can neither capture the diffusivity, structural, and density anomalies, as it can in a two-scale potential fluid. In structural anomaly region, tetrahedrality order qtetra (measuring the extent to which an atom and its four nearest neighbours adopt tetrahedral arrangement) and translational order ttrans (measuring the tendency of two atoms to adopt preferential separation) are not perfectly correlated, which is different from that in SW Si and renders it impossible to use the isotaxis line to quantify the degree of structural order needed for water-like anomalies to occur. Along the isotherm of critical temperature Tc, ttrans/qtetra is approximately linear with pressure. With decreasing pressure along the isotherm below Tc, ttrans/qtetra departs downward from the line, while it is the opposite case above Tc.

  11. Advances in the floral structural characterization of the major subclades of Malpighiales, one of the largest orders of flowering plants

    PubMed Central

    Endress, Peter K.; Davis, Charles C.; Matthews, Merran L.

    2013-01-01

    Background and Aims Malpighiales are one of the largest angiosperm orders and have undergone radical systematic restructuring based on molecular phylogenetic studies. The clade has been recalcitrant to molecular phylogenetic reconstruction, but has become much more resolved at the suprafamilial level. It now contains so many newly identified clades that there is an urgent need for comparative studies to understand their structure, biology and evolution. This is especially true because the order contains a disproportionally large diversity of rain forest species and includes numerous agriculturally important plants. This study is a first broad systematic step in this endeavour. It focuses on a comparative structural overview of the flowers across all recently identified suprafamilial clades of Malpighiales, and points towards areas that desperately need attention. Methods The phylogenetic comparative analysis of floral structure for the order is based on our previously published studies on four suprafamilial clades of Malpighiales, including also four related rosid orders (Celastrales, Crossosomatales, Cucurbitales, Oxalidales). In addition, the results are compiled from a survey of over 3000 publications on macrosystematics, floral structure and embryology across all orders of the core eudicots. Key Results Most new suprafamilial clades within Malpighiales are well supported by floral structural features. Inner morphological structures of the gynoecium (i.e. stigmatic lobes, inner shape of the locules, placentation, presence of obturators) and ovules (i.e. structure of the nucellus, thickness of the integuments, presence of vascular bundles in the integuments, presence of an endothelium in the inner integument) appear to be especially suitable for characterizing suprafamilial clades within Malpighiales. Conclusions Although the current phylogenetic reconstruction of Malpighiales is much improved compared with earlier versions, it is incomplete, and further focused

  12. [Report of the World Federation of Neurosurgical Societies (WFNS) international course and Cameroon Neurosurgery Society Congress (CNS) Yaoundé (Cameroon), 1st--4th October 2007].

    PubMed

    Eyenga, V C; Ndoumbe, A; Eloundou, N J

    2008-04-01

    Neurosurgery remains a very marginal activity in sub-Saharan Africa. In this part of the world which counts nearly 40 countries, some do not have a single neurosurgeon, some have one to five, the number of ten neurosurgeons per country remaining an exception! In its concern of popularizing and of developing neurosurgery worldwide, the WFNS organized an international course in Africa, October 2007 2nd-3rd in Yaoundé (Cameroon). The Cameroon Neurosurgery Society (CNS) took this opportunity to organize its very first congress in the presence of the WFNS delegation from October 1st to 4th, 2007. The joint meeting with the WFNS was baptized the "African Week of Neurosurgery". This special event was a first in sub-Saharan Africa. The delegation of the WFNS, led by Professor J. Brotchi (Belgium) President of the WFNS, was made up of Professors A. Sousa (Brazil), Mr. Choux (France), N. Tribolet (Swiss), M. Arraez (Spain), A. Bricolo (Italy), A. Kamlichi (Morocco), G. Dechambenoit (France), K. Kalangu (Zimbabwe). Twenty three neurosurgeons coming from nine African countries (Cameroon, Nigeria, Gabon, Congo, Niger, Burkina Faso, Ivory Coast, Senegal, and Guinea) took an active part in work. The scientific success of this event led to the creation of the "Association of Neurological Surgeons of Africa (ANSA)" which will be the WFNS-Africa interface in order to insure the development of neurosurgery in Africa.

  13. The 1ST Battalion 7TH Infantry in the Gulf War

    DTIC Science & Technology

    1993-03-23

    equipment and supplies but otherwise encountered no organized opposition. After refueling at PL NEW MEXICO , the task force was ordered to move and occupy...r c &s ,.n cor e -F ri: e Lav I < v. -i N P e j H QN. r el r-m . r et q .c~a r,-:c::o;1 crw’ . . Cae nc, o~ estr -*:,Y, tr, -& (5,~r- C~d 7o~nrce...the A/L channels. Contaminated remains will be conspicuously marked and located. D. CIVILIAN LABOR - Availability is controlled by LAD. E

  14. Effect of Co Substitution on the Crystal and Magnetic Structure of SrFeO2.75-δ: Stabilization of the "314-Type" Oxygen Vacancy Ordered Structure without A-Site Ordering.

    PubMed

    Marik, Sourav; Chennabasappa, Madhu; Fernández-Sanjulián, Javier; Petit, Emmanuel; Toulemonde, Olivier

    2016-10-03

    A study of the structure-composition-properties correlation is reported for the oxygen-deficient SrFe1-xCoxO2.75-δ (x = 0.1-0.85) materials. The introduction of Co in the parent SrFeO2.75 (Sr4Fe4O11) structure revealed an interesting structural transformation. At room temperature (RT), an orthorhombic (space group Cmmm, 2√2ap × 2ap × √2ap type, ap = lattice parameter of the cubic perovskite) → tetragonal (space group P4/mmm, ap × ap × 2ap type) → tetragonal (space group I4/mmm, 2ap × 2ap × 4ap type) structural transformation is observed in parallel with increasing Co content and decreasing oxygen content in the structure. At the same time, a rich variation in the magnetic properties is explored. The samples with x = 0.25, 0.3 show temperature-induced magnetization reversal. With increasing Co content in the structure, magnetic interactions start to weaken due to the random distribution of Fe and Co in the structure; the x = 0.5 sample shows frustration in the magnetic behavior with much smaller magnetization value. With a further increase in the Co content in the structure, RT ferrimagnetic-type behavior is observed for the sample with x = 0.85. The nuclear and magnetic structure refinements using RT and low-temperature neutron powder diffraction (NPD, 10 K) patterns confirm the formation of a "314-type" novel oxygen vacancy ordered phase for the sample with x = 0.85, which is the first case of "314-type" novel oxygen vacancy ordering without A-site (ABO3-δ type perovskite) ordering. The magnetic structure is G-type antiferromagnetic starting at room temperature. Further, the stabilization of the "314-type" complex superstructure is related to the ordering of oxygen vacancies in the oxygen-deficient Co-O layers, and the same assists in building a network of Co ions with different coordination environments, each with different spin states, and forms the spin-state ordering.

  15. 1st Joint European Conference on Therapeutic Targets and Medicinal Chemistry (TTMC 2015)

    PubMed Central

    Le Borgne, Marc; Haidar, Samer; Duval, Olivier; Wünsch, Bernhard; Jose, Joachim

    2015-01-01

    The European Conference on Therapeutic Targets and Medicinal Chemistry is a new two-day meeting on drug discovery that is focused on therapeutic targets and the use of tools to explore all fields of drug discovery and drug design such as molecular modelling, bioorganic chemistry, NMR studies, fragment screening, in vitro assays, in vivo assays, structure activity relationships, autodisplay. Abstracts of keynote lectures, plenary lectures, junior lectures, flash presentations, and posters presented during the meeting are collected in this report. PMID:26712767

  16. 300 Area D4 Project 1st Quarter Fiscal Year 2006 Building Completion Report

    SciTech Connect

    David S. Smith

    2006-04-20

    This report documents the deactivation, decontamination, decommissioning, and demolition of the MO-052, 3225, 334, 334A, and 334-TF Buildings in the 300 Area of the Hanford Site. The D4 of these facilities included characterization, engineering, removal of hazardous and radiologically contaminated materials, equipment removal, utility disconnection, deactivation, decontamination, demolition of the structure, and stabilization or removal of the remaining slab and foundation as appropriate.

  17. 1st Joint European Conference on Therapeutic Targets and Medicinal Chemistry (TTMC 2015).

    PubMed

    Le Borgne, Marc; Haidar, Samer; Duval, Olivier; Wünsch, Bernhard; Jose, Joachim

    2015-12-26

    The European Conference on Therapeutic Targets and Medicinal Chemistry is a new two-day meeting on drug discovery that is focused on therapeutic targets and the use of tools to explore all fields of drug discovery and drug design such as molecular modelling, bioorganic chemistry, NMR studies, fragment screening, in vitro assays, in vivo assays, structure activity relationships, autodisplay. Abstracts of keynote lectures, plenary lectures, junior lectures, flash presentations, and posters presented during the meeting are collected in this report.

  18. International Interdisciplinary Conference (1st) on the Influence of Culture (Japanese/American) on Technological Innovation

    DTIC Science & Technology

    1991-11-01

    manufacture but also of the social arrangements of the system, fiscal and legal matters, the socio-technical systems of distribution and use and the overall...matters, the socio-technical systems of distribution and use and the overall system as a whole. It necessarily follows that the linear model of...organizations and multiple -group af- nese was not an autonomous whole but a filiation, structures not commonly found in fraction of the whole. It was the

  19. A theoretical study on the structural dependences of third-order optical nonlinearities of heterocycle-substituted polymethine cyanine chromophores

    NASA Astrophysics Data System (ADS)

    Wang, Chao; Yuan, Yizhong; Tian, Xiaohui; Sun, Jinyu; Shao, Hongjuan; Sun, Zhenrong

    2013-09-01

    The linear and third-order nonlinear optical properties of four polymethine cyanines (PC-1-PC-4) were investigated by UV-visible absorption spectroscopy and degenerate four-wave mixing (DFWM) technique. The second-order hyperpolarizabilities γ of the four chromophores achieve 10-31 esu. The dependence of their third-order optical nonlinearities on the molecular structure was discussed based on density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations. The calculated second-order hyperpolarizabilities γ well-reproduce the experimental trends. The results show that the third-order optical nonlinearities of the chromophores can be drastically enhanced by bulky heteroatom (such as selenium) with low electro-negativity, or extended π-conjugated terminal group.

  20. Ordered structures based on self-organized Au and CdSe nanoparticles

    SciTech Connect

    Zaporozhets, M. A.; Savilov, S. V.; Zhigalina, O. M.; Sul'yanov, S. N.; Volkov, V. V.; Nikolaichik, V. I.; Gubin, S. P.; Avilov, A. S.

    2012-05-15

    Methods for obtaining cadmium selenide and gold nanoparticles have been developed. The sizes of the nanoparticles are determined and the morphology, structure, and chemical composition of these nanoparticles and their ensembles are studied by a complex of structural methods: electron diffraction, X-ray diffraction, energy-dispersive X-ray analysis, high-resolution transmission electron microscopy, and small-angle X-ray scattering. Gold nanoparticles are mainly spherical and have an average size of 10 nm. They are single-phase and have an fcc crystal structure. Samples of synthesized CdSe nanoparticles contain monodisperse spherical particles 12 nm in size with a wurtzite structure. The deposition of nanoparticles on a carbon substrate is accompanied by their self-organization into a closely packed two-dimensional structure with a pronounced texture in which all nanoparticles are oriented in the [001] direction perpendicularly to the carbon substrate plane.

  1. [Differential physical growth during the 1st year of life. II. Growth of the head].

    PubMed

    Rosales-López, A; Martínez-Meza, A; Sánchez-Aguilar, G; Chávez-Rojas, G; Guízar-Vázquez, J J

    1992-11-01

    The corporal segment that display the major growth velocity before and after born is the head; that is, once a baby is born, it represents the fourth part of the stature, it has the greater corporal circumference, and their development is superior than other corporal segments. However, the growth shape of the craniofacial structures is different; so, the growth gradient of brain, is the responsible of the morphological view described previously; the facial structures follow the general growth curve; moreover, the facial bone that contributes with the growth of brain, describes mixed growth gradients. This complex shape of the head growth, requires the existence of growth standards for these structures. The present paper describes the results of longitudinal research on head growth. We studied 200 children of both sex and ages from 0 to 1 year of extrauterine life. We got 18 growth measures of the head, such as: head circumference, head length and width, minimum frontal diameter; head, total facial, upper facial, and nose height; bizygomatic, bigonial, external bipalpebral, internal bipalpebral and nose widths; length and width of lips and ear. Moreover, we report the final increments and the differences on sexual dimorphism.

  2. The local and long-range structural order of the spin-glass pyrochlore, Tb2Mo2O7

    SciTech Connect

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

    2011-01-01

    To understand the origin of the spin-glass state in molybdate pyrochlores, the structure of Tb2Mo2O7 is investigated using two techniques: the long-range lattice structure was measured using neutron powder diffraction (NPD), and the local structure information was obtained from extended x-ray absorption fine structure (EXAFS) measurements. While the long-range structure appears well ordered, apart from some enhanced mean-squared site displacements, the local structure measurements indicate nearest-neighbor disorder exists, similar to that found in the related spinglass pyrochlore, Y2Mo2O7. Although the freezing temperature in Tb2Mo2O7, 25 K, is slightly higher than in Y2Mo2O7, 22 K, the degree of local bond disorder is actually less in Tb2Mo2O7. This apparaent contradiction is considered in light of the interactions involved in the freezing process.

  3. Intra- and inter-nucleosome interactions of the core histone tail domains in higher-order chromatin structure.

    PubMed

    Pepenella, Sharon; Murphy, Kevin J; Hayes, Jeffrey J

    2014-03-01

    Eukaryotic chromatin is a hierarchical collection of nucleoprotein structures that package DNA to form chromosomes. The initial levels of packaging include folding of long strings of nucleosomes into secondary structures and array-array association into higher-order tertiary chromatin structures. The core histone tail domains are required for the assembly of higher-order structures and mediate short- and long-range intra- and inter-nucleosome interactions with both DNA and protein targets to direct their assembly. However, important details of these interactions remain unclear and are a subject of much interest and recent investigations. Here, we review work defining the interactions of the histone N-terminal tails with DNA and protein targets relevant to chromatin higher-order structures, with a specific emphasis on the contributions of H3 and H4 tails to oligonucleosome folding and stabilization. We evaluate both classic and recent experiments determining tail structures, effect of tail cleavage/loss, and posttranslational modifications of the tails on nucleosomes and nucleosome arrays, as well as inter-nucleosomal and inter-array interactions of the H3 and H4 N-terminal tails.

  4. Time-to-contact estimation of accelerated stimuli is based on first-order information.

    PubMed

    Benguigui, Nicolas; Ripoll, Hubert; Broderick, Michael P

    2003-12-01

    The goal of this study was to test whether 1st-order information, which does not account for acceleration, is used (a) to estimate the time to contact (TTC) of an accelerated stimulus after the occlusion of a final part of its trajectory and (b) to indirectly intercept an accelerated stimulus with a thrown projectile. Both tasks require the production of an action on the basis of predictive information acquired before the arrival of the stimulus at the target and allow the experimenter to make quantitative predictions about the participants' use (or nonuse) of 1st-order information. The results show that participants do not use information about acceleration and that they commit errors that rely quantitatively on 1st-order information even when acceleration is psychophysically detectable. In the indirect interceptive task, action is planned about 200 ms before the initiation of the movement, at which time the 1st-order TTC attains a critical value.

  5. Impact of volcanic eruptions on the climate of the 1st millennium AD in a comprehensive climate simulation

    NASA Astrophysics Data System (ADS)

    Wagner, Sebastian; Zorita, Eduardo

    2015-04-01

    The climate of the 1st millennium AD shows some remarkable differences compared to the last millennium concerning variation in external forcings. Together with an orbitally induced increased solar insolation during the northern hemisphere summer season and a general lack of strong solar minima, the frequency and intensity of large tropical and extratropical eruptions is decreased. Here we present results of a new climate simulation carried out with the comprehensive Earth System Model MPI-ESM-P forced with variations in orbital, solar, volcanic and greenhouse gas variations and land use changes for the last 2,100 years. The atmospheric model has a horizontal resolution of T63 (approx. 125x125 km) and therefore also allows investigations of regional-to-continental scale climatic phenomena. The volcanic forcing was reconstructed based on a publication by Sigl et al. (2013) using the sulfate records of the NEEM and WAIS ice cores. To obtain information on the aerosol optical depth (AOD) these sulfate records were scaled to an established reconstruction from Crowley and Unterman (2010), which is also a standard forcing in the framework of CMIP5/PMIP3. A comparison between the newly created data set with the Crowley and Unterman dataset reveals that the new reconstruction shows in general weaker intensities, especially of the large tropical outbreaks and fewer northern hemispheric small-to-medium scale eruptions. However, the general pattern in the overlapping period is similar. A hypothesis that can be tested with the simulation is whether the reduced volcanic intensity of the 1st millennium AD contributed to the elevated temperature levels over Europe, evident within a new proxy-based reconstruction. On the other hand, the few but large volcanic eruptions, e.g. the 528 AD event, also induced negative decadal-scale temperature anomalies. Another interesting result of the simulation relates to the 79 AD eruption of the Vesuvius, which caused the collapse of the city of

  6. Conjugated organic framework with three-dimensionally ordered stable structure and delocalized π clouds

    NASA Astrophysics Data System (ADS)

    Guo, Jia; Xu, Yanhong; Jin, Shangbin; Chen, Long; Kaji, Toshihiko; Honsho, Yoshihito; Addicoat, Matthew A.; Kim, Jangbae; Saeki, Akinori; Ihee, Hyotcherl; Seki, Shu; Irle, Stephan; Hiramoto, Masahiro; Gao, Jia; Jiang, Donglin

    2013-11-01

    Covalent organic frameworks are a class of crystalline organic porous materials that can utilize π-π-stacking interactions as a driving force for the crystallization of polygonal sheets to form layered frameworks and ordered pores. However, typical examples are chemically unstable and lack intrasheet π-conjugation, thereby significantly limiting their applications. Here we report a chemically stable, electronically conjugated organic framework with topologically designed wire frameworks and open nanochannels, in which the π conjugation-spans the two-dimensional sheets. Our framework permits inborn periodic ordering of conjugated chains in all three dimensions and exhibits a striking combination of properties: chemical stability, extended π-delocalization, ability to host guest molecules and hole mobility. We show that the π-conjugated organic framework is useful for high on-off ratio photoswitches and photovoltaic cells. Therefore, this strategy may constitute a step towards realizing ordered semiconducting porous materials for innovations based on two-dimensionally extended π systems.

  7. Nematic ordering of SWNT in meso-structured thin liquid films of polystyrenesulfonate.

    PubMed

    Itzhak-Cohen, Racheli; Nativ-Roth, Einat; Levi-Kalisman, Yael; Josef, Elinor; Szleifer, Igal; Yerushalmi-Rozen, Rachel

    2014-12-16

    The formation of nematic-like islands of single-walled carbon nanotubes (SWNT) in polystyrenesulfonate (PSS) dispersions confined into nanometrically thin films is reported. The SWNT are observed to assemble into orientationally ordered phases, where the intertube distance, as measured via transmission electron microscopy at cryogenic temperatures, matches the polyelectrolyte's bulk correlation length deduced from X-ray scattering. The micrometers-long islands of orientationally ordered carbon nanotubes are observed in both SWNT and double-walled carbon nanotubes (DWNT) but not in specimens prepared from similar dispersions of multiwalled carbon nanotubes (MWNT). These observations, together with relaxation and rheological experiments, suggest that the orientational ordering may result from coupling between confinement of the polymer-wrapped SWNT and DWNT and the microstructure of the solvated polyelectrolyte.

  8. Diffraction of Laser Light as a Probe of Ordered Tissue Structure

    NASA Astrophysics Data System (ADS)

    Stewart, Cody; Forrester, Kevin; Frank, C. B.; Irvine-Halliday, David; Muldrew, Ken; Shrive, Nigel; Thompson, Robert

    2002-05-01

    Laser light transmitted through thin slices of ordered tissue, such as tendon and ligament, forms a diffraction pattern elongated in the direction perpendicular to the alignment direction of the tissue fibers. The degree of elongation provides information on the degree of order in the tissue sample and thus provides a probe of the presence of scar tissue since, when damaged, collagen fibers reform more randomly than in healthy tissue. Small Angle Light Scattering (SALS) is an established technique that utilizes the diffraction properties of ordered tissue to determine bulk properties such as angle and degree of fiber orientation. This presentation will present experimental data that appears to dispute certain basic assumptions inherent in the method, as well as a basic theoretical explanation for why these assumptions may be inadequate under some experimental conditions.

  9. Who's up first? Testing for order effects in structured interviews using a counterbalanced experimental design.

    PubMed

    Jensen, P S; Watanabe, H K; Richters, J E

    1999-12-01

    A growing body of research suggests that, apart from the wording of specific questions, various aspects of the interview process itself may affect the reliability of information provided by research participants. To examine whether the order of presentation of specific diagnostic modules affects the likelihood of subjects' yes/no responses within the Diagnostic Interview Schedule for Children (DISC), the authors used a counterbalanced design, presenting two DISC diagnostic modules to children and their parents in standard or reversed order. Results indicate that the order of module administration exerts effects on the total numbers of symptoms endorsed, level of impairment, and the likelihood of meeting diagnostic criteria, regardless of whether the information is provided by parent or child respondents. Future child and adult assessment measures should take these difficulties fully into account through novel approaches to instrument design and interview procedures.

  10. Proceedings of the 1st Space Plasma Computer Analysis Network (SCAN) Workshop. [space plasma computer networks

    NASA Technical Reports Server (NTRS)

    Green, J. L.; Waite, J. H.; Johnson, J. F. E.; Doupnik, J. R.; Heelis, R. A.

    1983-01-01

    The purpose of the workshop was to identify specific cooperative scientific study topics within the discipline of Ionosphere Magnetosphere Coupling processes and to develop methods and procedures to accomplish this cooperative research using SCAN facilities. Cooperative scientific research was initiated in the areas of polar cusp composition, O+ polar outflow, and magnetospheric boundary morphology studies and an approach using a common metafile structure was adopted to facilitate the exchange of data and plots between the various workshop participants. The advantages of in person versus remote workshops were discussed also.

  11. Obtaining of images of ordered and disordered nanocrystal structures by atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Parfenov, P. S.; Litvin, A. P.; Ushakova, E. V.; Fedorov, A. V.; Baranov, A. V.

    2017-01-01

    The morphology of films, superlattices, and other structures of colloidal nanocrystals has been investigated by atomic force microscopy (AFM). The capabilities of ultrasharp and conventional probes for AFM are compared. The problems of detection of nanocrystal close packing are discussed.

  12. An Investigation of the Higher-Order Symbolic Factors of Cognition and Convergent Production within the Structure of Intellect Model.

    ERIC Educational Resources Information Center

    Bachelor, Patricia A.; Bachelor, Barry G.

    1989-01-01

    The existence of higher-order factors within the cognition and convergent production operations and product dimensions of the structure-of-intellect model of J. P. Guilford was investigated. Data from 240 aviation officer candidates and Naval air cadets were reanalyzed via maximum likelihood confirmatory factor analysis, using the LISREL program.…

  13. Orthogonal Higher Order Factor Structure of the Stanford-Binet Intelligence Scales--Fifth Edition for Children and Adolescents

    ERIC Educational Resources Information Center

    Canivez, Gary L.

    2008-01-01

    Orthogonal higher-order factor structure of the Stanford-Binet Intelligence Scales-Fifth Edition (SB-5; Roid, 2003a) for child and adolescent samples is reported. Multiple criteria for factor extraction unanimously supported extraction of only one dimension and a unidimensional model. However, following results from DiStefano and Dombrowski (2006)…

  14. An Experimental Technique for Assessing Readers' Responses to Structural Principles and Clues to Order in a Poem.

    ERIC Educational Resources Information Center

    Millett, Nancy Carlyon

    In this study of high school and college students' responses to structural principles and clues to order in poetry, four groups of students were tested: Groups I and II were high school sophomores and seniors enrolled in an English class for "average" learners; Group III were college sophomore English majors in a course in intrinsic literary…

  15. A Model-Based Approach for Visualizing the Dimensional Structure of Ordered Successive Categories Preference Data

    ERIC Educational Resources Information Center

    DeSarbo, Wayne S.; Park, Joonwook; Scott, Crystal J.

    2008-01-01

    A cyclical conditional maximum likelihood estimation procedure is developed for the multidimensional unfolding of two- or three-way dominance data (e.g., preference, choice, consideration) measured on ordered successive category rating scales. The technical description of the proposed model and estimation procedure are discussed, as well as the…

  16. Higher-order aggregate networks in the analysis of temporal networks: path structures and centralities

    NASA Astrophysics Data System (ADS)

    Scholtes, Ingo; Wider, Nicolas; Garas, Antonios

    2016-03-01

    Despite recent advances in the study of temporal networks, the analysis of time-stamped network data is still a fundamental challenge. In particular, recent studies have shown that correlations in the ordering of links crucially alter causal topologies of temporal networks, thus invalidating analyses based on static, time-aggregated representations of time-stamped data. These findings not only highlight an important dimension of complexity in temporal networks, but also call for new network-analytic methods suitable to analyze complex systems with time-varying topologies. Addressing this open challenge, here we introduce a novel framework for the study of path-based centralities in temporal networks. Studying betweenness, closeness and reach centrality, we first show than an application of these measures to time-aggregated, static representations of temporal networks yields misleading results about the actual importance of nodes. To overcome this problem, we define path-based centralities in higher-order aggregate networks, a recently proposed generalization of the commonly used static representation of time-stamped data. Using data on six empirical temporal networks, we show that the resulting higher-order measures better capture the true, temporal centralities of nodes. Our results demonstrate that higher-order aggregate networks constitute a powerful abstraction, with broad perspectives for the design of new, computationally efficient data mining techniques for time-stamped relational data.

  17. Serial Order and Consonant-Vowel Structure in a Graphemic Output Buffer Model

    ERIC Educational Resources Information Center

    Glasspool, D.W.; Houghton, G.

    2005-01-01

    We review features of the spelling errors of dysgraphic patients with ''Graphemic Buffer Disorder'' (GBD). We argue that the errors made by such patients suggest the breakdown of a system used to generate serial order in the output stages of spelling production, and we develop a model for this system based on an existing theory of sequential…

  18. Analysis of local bond-orientational order for liquid gallium at ambient pressure: Two types of cluster structures

    NASA Astrophysics Data System (ADS)

    Chen, Lin-Yuan; Tang, Ping-Han; Wu, Ten-Ming

    2016-07-01

    In terms of the local bond-orientational order (LBOO) parameters, a cluster approach to analyze local structures of simple liquids was developed. In this approach, a cluster is defined as a combination of neighboring seeds having at least nb local-orientational bonds and their nearest neighbors, and a cluster ensemble is a collection of clusters with a specified nb and number of seeds ns. This cluster analysis was applied to investigate the microscopic structures of liquid Ga at ambient pressure (AP). The liquid structures studied were generated through ab initio molecular dynamics simulations. By scrutinizing the static structure factors (SSFs) of cluster ensembles with different combinations of nb and ns, we found that liquid Ga at AP contained two types of cluster structures, one characterized by sixfold orientational symmetry and the other showing fourfold orientational symmetry. The SSFs of cluster structures with sixfold orientational symmetry were akin to the SSF of a hard-sphere fluid. On the contrary, the SSFs of cluster structures showing fourfold orientational symmetry behaved similarly as the anomalous SSF of liquid Ga at AP, which is well known for exhibiting a high-q shoulder. The local structures of a highly LBOO cluster whose SSF displayed a high-q shoulder were found to be more similar to the structure of β-Ga than those of other solid phases of Ga. More generally, the cluster structures showing fourfold orientational symmetry have an inclination to resemble more to β-Ga.

  19. Analysis of local bond-orientational order for liquid gallium at ambient pressure: Two types of cluster structures.

    PubMed

    Chen, Lin-Yuan; Tang, Ping-Han; Wu, Ten-Ming

    2016-07-14

    In terms of the local bond-orientational order (LBOO) parameters, a cluster approach to analyze local structures of simple liquids was developed. In this approach, a cluster is defined as a combination of neighboring seeds having at least nb local-orientational bonds and their nearest neighbors, and a cluster ensemble is a collection of clusters with a specified nb and number of seeds ns. This cluster analysis was applied to investigate the microscopic structures of liquid Ga at ambient pressure (AP). The liquid structures studied were generated through ab initio molecular dynamics simulations. By scrutinizing the static structure factors (SSFs) of cluster ensembles with different combinations of nb and ns, we found that liquid Ga at AP contained two types of cluster structures, one characterized by sixfold orientational symmetry and the other showing fourfold orientational symmetry. The SSFs of cluster structures with sixfold orientational symmetry were akin to the SSF of a hard-sphere fluid. On the contrary, the SSFs of cluster structures showing fourfold orientational symmetry behaved similarly as the anomalous SSF of liquid Ga at AP, which is well known for exhibiting a high-q shoulder. The local structures of a highly LBOO cluster whose SSF displayed a high-q shoulder were found to be more similar to the structure of β-Ga than those of other solid phases of Ga. More generally, the cluster structures showing fourfold orientational symmetry have an inclination to resemble more to β-Ga.

  20. Improving conversion yield of fermentable sugars into fuel ethanol in 1st generation yeast-based production processes.

    PubMed

    Gombert, Andreas K; van Maris, Antonius J A

    2015-06-01

    Current fuel ethanol production using yeasts and starch or sucrose-based feedstocks is referred to as 1st generation (1G) ethanol production. These processes are characterized by the high contribution of sugar prices to the final production costs, by high production volumes, and by low profit margins. In this context, small improvements in the ethanol yield on sugars have a large impact on process economy. Three types of strategies used to achieve this goal are discussed: engineering free-energy conservation, engineering redox-metabolism, and decreasing sugar losses in the process. Whereas the two former strategies lead to decreased biomass and/or glycerol formation, the latter requires increased process and/or yeast robustness.

  1. A compositional study of a museum jewellery collection (7th-1st BC) by means of a portable XRF spectrometer

    NASA Astrophysics Data System (ADS)

    Karydas, A. G.; Kotzamani, D.; Bernard, R.; Barrandon, J. N.; Zarkadas, Ch.

    2004-11-01

    Within the framework of the project "Jewelmed" (ICA3-1999-10020), the chemical composition of 34 gold and four silver jewels was examined. These jewels belong to the Benaki museum's collection in Athens, Greece and are dating from the 7th to the 1st century BC. The compositional analysis of the jewels was performed by means of a "home-made" portable X-ray fluorescence (XRF) spectrometer. The XRF results have shown that the gold jewels can be categorized in two groups, which include artifacts made by native and by high purity gold, respectively. For the silver jewels the results have provided interesting information regarding the manufacturing technology, the authenticity of the jewels and the raw materials used. The potential and the limitations of the XRF technique, applied in the chemical analysis of archaeological metal artifacts, are also discussed.

  2. Plasma properties from the multi-wavelength analysis of the November 1st 2003 CME/shock event.

    PubMed

    Benna, Carlo; Mancuso, Salvatore; Giordano, Silvio; Gioannini, Lorenzo

    2013-05-01

    The analysis of the spectral properties and dynamic evolution of a CME/shock event observed on November 1st 2003 in white-light by the LASCO coronagraph and in the ultraviolet by the UVCS instrument operating aboard SOHO, has been performed to compute the properties of some important plasma parameters in the middle corona below about 2R ⊙. Simultaneous observations obtained with the MLSO/Mk4 white-light coronagraph, providing both the early evolution of the CME expansion in the corona and the pre-shock electron density profile along the CME front, were also used to study this event. By combining the above information with the analysis of the metric type II radio emission detected by ground-based radio spectrographs, we finally derive estimates of the values of the local Alfvén speed and magnetic field strength in the solar corona.

  3. Stress in 1st-year women teachers: the context of social support and coping.

    PubMed

    Schonfeld, I S

    2001-05-01

    The effects of adverse work environments were examined in the context of other risk/protective factors in this extension of a short-term longitudinal study involving 184 newly appointed women teachers. Regression analyses revealed that-adjusting for preemployment levels of the outcomes and negative affectivity-social support and adversity in the fall work environment were among the factors that affected spring depressive symptoms, self-esteem, job satisfaction, and motivation to teach. Support from nonwork sources was directly related to future improved symptom levels and self-esteem; supervisor and colleague support were directly related to future job satisfaction. Effects of occupational coping, professional efficacy, locus of control, and school factors (e.g., special vs. regular education) were largely nonsignificant. Structural equation analyses indicated that adverse working conditions began to seriously affect the women soon after they started teaching.

  4. A first principles study on the structure of ice-VI: static distortion, molecular geometry, and proton ordering.

    PubMed

    Kuo, Jer-Lai; Kuhs, Werner F

    2006-03-02

    We have studied the structure of ice-VI by examining all ice-rule-allowed structures in its primary unit cell of 10 water molecules with first principles methods. A significant amount of static distortions in the oxygen positions away from their crystallographic positions are found, which is in good agreements with significant higher-order terms in the atomic displacement parameters obtained from X-ray and neutron diffraction data. Structural anomalies (such as exceptionally short OH bonds and small H-O-H angles) noted in conventional crystal structure refinements were not seen in our ab initio calculations, and it is evident that these structural anomalies arose from oversimplified models in which static distortions are not properly accounted for. Our results also show that the molecular geometry of water in ice-VI is similar to but richer than those in ice-Ih and ice-VII. Larger distortions in bond lengths/angles and correlation between the molecular geometry and the neighboring environments were found. Different proton-ordering schemes proposed in the literature were examined, and our calculations provide evidence in favor of a ferroelectric phase of the proton-ordered counterpart of ice-VI at about 80 K.

  5. Acceptance tests and their results for 1st Pre-Series Cryoline (PTCL) of ITER

    NASA Astrophysics Data System (ADS)

    Kapoor, H.; Garg, A.; Shah, N.; Muralidhara, S.; Choukekar, K.; Dash, B.; Gaur, V.; Madeenavalli, S.; Patel, P.; Kumar, U.; Jadon, M.; Shukla, V.; Sarkar, B.; Sarvaiya, Y.; Mukherjee, D.; Dutta, A.; Murugan, KV.; Gajera, S.; Joshi, B.; Panjwani, R.

    2017-02-01

    The Pre-Series Cryoline (PTCL) for ITER is a representative cryoline from the complicated network of all cryolines for the ITER project. It is ∼28 m in length with same cross-section (1:1) including main line (ML) and branch line (BL) as of ITER torus & cryostat cryoline. Geometrically; it has bends at different angles i.e. 90°, 120°, 135° & 160° comprising T-section & Z-section. The PTCL has been fabricated in 5 different elements based on the installation feasibility. The mechanical & instrumentation installation like sensors mounting, displacement sensors, etc. has been completed. The PTCL test has been performed after complete installation of PTCL and integration with the existing test facility at ITER-India cryogenics laboratory in order to verify the thermal performance and mechanical integrity. The primary objectives, which are evaluated during the PTCL test, are (i) Thermal performance of the PTCL (ii) Measurement of temperature profile on thermal shield of PTCL, (iii) Stress measurement at critical locations, (iv) Measurement of Outer Vacuum Jacket (OVJ) temperature during Break of Insulation Vacuum (BIV) test. The paper will summarize the methodology and observed results of PTCL.

  6. Elucidating the higher-order structure of biopolymers by structural probing and mass spectrometry: MS3D

    PubMed Central

    Fabris, Daniele; Yu, Eizadora T.

    2010-01-01

    Chemical probing represents a very versatile alternative for studying the structure and dynamics of substrates that are intractable by established high-resolution techniques. The implementation of MS-based strategies for the characterization of probing products has not only extended the range of applicability to virtually all types of biopolymers, but has also paved the way for the introduction of new reagents that would not have been viable with traditional analytical platforms. As the availability of probing data is steadily increasing on the wings of the development of dedicated interpretation aids, powerful computational approaches have been explored to enable the effective utilization of such information to generate valid molecular models. This combination of factors has contributed to making the possibility of obtaining actual 3D structures by MS-based technologies (MS3D) a reality. Although approaches for achieving structure determination of unknown substrates or assessing the dynamics of known structures may share similar reagents and development trajectories, they clearly involve distinctive experimental strategies, analytical concerns, and interpretation paradigms. This Perspective offers a commentary on methods aimed at obtaining distance constraints for the modeling of full-fledged structures, while highlighting common elements, salient distinctions, and complementary capabilities exhibited by methods employed in dynamics studies. We discuss critical factors to be addressed for completing effective structural determinations and expose possible pitfalls of chemical methods. We survey programs developed for facilitating the interpretation of experimental data and discuss possible computational strategies for translating sparse spatial constraints into all-atom models. Examples are provided to illustrate how the concerted application of very diverse probing techniques can lead to the solution of actual biological substrates. PMID:20648672

  7. Temperature dependence of the crystal structure and charge ordering in Yb{sub 4}As{sub 3}

    SciTech Connect

    Staub, U.; Shi, M.; Schulze-Briese, C.; Patterson, B.D.; Fauth, F.; Dooryhee, E.; Soderholm, L.; Cross, J.O.; Mannix, D.; Ochiai, A.

    2005-02-15

    Resonant and nonresonant x-ray scattering, combined with x-ray absorption data, are presented on Yb{sub 4}As{sub 3}. The nonresonant data allow a detailed determination of the low-temperature crystal structure and its evolution as a function of temperature. Bond-valence-sum calculations are performed and compared with theoretical predictions. Using the structural knowledge, the energy dependence, near the Yb L{sub 3} edge, of particular x-ray reflections are calculated and compared with experiment, and the temperature dependence of the charge order is extracted. A united picture of the temperature-dependent crystal structure and charge ordering in Yb{sub 4}As{sub 3} emerges and is compared with theory.

  8. Ordering of small particles in one-dimensional coherent structures by time-periodic flows.

    PubMed

    Pushkin, D O; Melnikov, D E; Shevtsova, V M

    2011-06-10

    Small particles transported by a fluid medium do not necessarily have to follow the flow. We show that for a wide class of time-periodic incompressible flows inertial particles have a tendency to spontaneously align in one-dimensional dynamic coherent structures. This effect may take place for particles so small that often they would be expected to behave as passive tracers and be used in PIV measurement technique. We link the particle tendency to form one-dimensional structures to the nonlinear phenomenon of phase locking. We propose that this general mechanism is, in particular, responsible for the enigmatic formation of the "particle accumulation structures" discovered experimentally in thermocapillary flows more than a decade ago and unexplained until now.

  9. Spontaneous formation of an ordered structure during dip-coating of methylene blue on fused quartz

    NASA Astrophysics Data System (ADS)

    Kobayashi, Hiroyuki; Takahashi, Mutsuko; Kotani, Masahiro

    2001-12-01

    Molecular orientation in thin films of methylene blue, prepared by dip-coating, has been studied by UV-visible absorption spectroscopy and X-ray diffraction. In multilayered films the molecules are essentially standing normal to the surface of a fused quartz substrate and form a layered structure with a periodicity that corresponds to the molecular length. Due to this arrangement the film is only faintly colored, since, with normal incidence, the electric field of the incident light is orthogonal to the transition moment of the molecules. This structure can be formed by self-organization in the course of drying, not by epitaxy.

  10. Second-order nonlinear susceptibility in quantum dot structure under applied electric field

    NASA Astrophysics Data System (ADS)

    Abdullah, M.; Noori, Farah T. Mohammed; Al-Khursan, Amin H.

    2015-06-01

    A model for quantum dot (QD) subbands, when the dots are in the form of quantum disks, under applied electric field was stated. Then, subbands of dots with different disk radii and heights were calculated under applied field. The competition between the shift due to confinement by field and the size was shown for subbands. Second-order nonlinear susceptibility in quantum dots (QDs) was derived using density matrix theory which is, then, simulated using the calculated subbands. Both interband (IB) and intersubband (ISB) transitions were discussed. High second-order susceptibility in QDs was predicted. The results show a reduction in the susceptibility with the applied field while the peak wavelength was mainly relates to energy difference between subbands. A good match between theory and laboratory experiments was observed. Laboratory experiments at terahertz region might be possible using valence intersubband which is important in many device applications.

  11. High-order micro-ring resonator with perfect transmission using symmetrical Fibonacci structures.

    PubMed

    Tsao, C W; Cheng, Y H; Hsueh, W J

    2015-09-15

    A symmetrical Fibonacci micro-ring resonator (SFMR) has been presented to avoid the coupled resonator optical waveguide (CROW) bottle, which is a bottle-shaped distribution for high orders in transmission spectra. The SFMR features three advantages that improve filtering quality compared to that provided by traditional periodic micro-ring resonators. First, sharper resonances are obtained by eliminating the CROW bottle from the mini gaps that appear in the major-band region. Second, peaks with perfect transmission are always obtained without a radius and coupling modulation in the mini-band regions and major-band regions. Third, the full width at half-maximum of the band-edge peak decreases with the increasing generation order.

  12. [Cervix priming in induced abortion in the 1st trimester using intracervical administration of sulprostone gel].

    PubMed

    Rath, W; Meyer, D; Harder, D; Hilgers, R; Kuhn, W

    1985-01-01

    In a prospective, randomised study 40 primigravidae were treated intracervically with 0.05 mg or 0.1 mg Sulprostone-Tylose gel in order to soften the cervix prior to first trimester termination of pregnancy. Curettage was performed on the average 7.5 hours after prostaglandin administration. For objective demonstration of the priming effect, the force required for dilatation of the cervical canal was measured in Newtons by a special tonometer before prostaglandin application and before operation. The maximal dilatability with a force of 10 N, the increase in dilatability after local PG application, and the patency of the cervix were measured. The occurrence of PG-induced lower abdominal pain associated with contractions was analysed with regard to the number of episodes at pain, their timing and the required amount of analgesics. A modified visual analogue scale was used to evaluate the subjective pain experience. The abortive effect of 0.1 mg Sulprostone was found to be more efficient than the 0.05 mg dose. There was no statistical significant difference between the two doses, however, for the priming effect detectable with the tonometer. The subjective experience of pain, use of analgesics and the frequency of gastrointestinal side effects were significantly higher with 0.1 mg than with 0.05 mg Sulprostone. The visual analogue scale allows the patient to quantify, at least to some extent, her experience of pain, and enables a differentiated analgetic therapy. Because of its effectiveness and low rate of side effects, the intracervical application of 0.05 mg Sulprostone gel promises to be an advantageous alternative to other methods of cervical priming.

  13. Experience from the 1st Year running a Massive High Quality Videoconferencing Service for the LHC

    NASA Astrophysics Data System (ADS)

    Fernandes, Joao; Baron, Thomas; Bompastor, Bruno

    2014-06-01

    In the last few years, we have witnessed an explosion of visual collaboration initiatives in the industry. Several advances in video services and also in their underlying infrastructure are currently improving the way people collaborate globally. These advances are creating new usage paradigms: any device in any network can be used to collaborate, in most cases with an overall high quality. To keep apace with this technology progression, the CERN IT Department launched a service based on the Vidyo product. This new service architecture introduces Adaptive Video Layering, which dynamically optimizes the video for each endpoint by leveraging the H.264 Scalable Video Coding (SVC)-based compression technology. It combines intelligent AV routing techniques with the flexibility of H.264 SVC video compression, in order to achieve resilient video collaboration over the Internet, 3G and WiFi. We present an overview of the results that have been achieved after this major change. In particular, the first year of operation of the CERN Vidyo service will be described in terms of performance and scale: The service became part of the daily activity of the LHC collaborations, reaching a monthly usage of more than 3200 meetings with a peak of 750 simultaneous connections. We also present some key features such as the integration with CERN Indico. LHC users can now join a Vidyo meeting either from their personal computer or a CERN videoconference room simply from an Indico event page, with the ease of a single click. The roadmap for future improvements, service extensions and core infrastructure tendencies such as cloud based services and virtualization of system components will also be discussed. Vidyo's strengths allowed us to build a universal service (it is accessible from PCs, but also videoconference rooms, traditional phones, tablets and smartphones), developed with 3 key ideas in mind: ease of use, full integration and high quality.

  14. Higher-order factor structures for the WISC-IV: implications for neuropsychological test interpretation.

    PubMed

    Decker, Scott L; Englund, Julia A; Roberts, Alycia M

    2014-01-01

    Factor-analytic studies support a hierarchical four-factor model for the Wechsler Intelligence Scale for Children-Fourth Edition (WISC-IV) with a prominent general, third-order factor. However, there is substantial disagreement on which type of higher-order model best fits the data and how different models should guide test interpretation in clinical practice, with many studies concluding interpretation should primarily be focused on general indicators of intelligence. We performed a series of confirmatory factor analyses with the WISC-IV standardization sample (N = 2,200, ages 6-16 years) to examine model fit and reexamined models used to support test interpretation at the general level. Consistent with previous research, bifactor models were difficult to identify; however, compared with bifactor and hierarchical models, the correlated factors model with no general higher-order factor provided the best fit to the data. Results from this study support the basic four-factor model specified in the WISC-IV technical manual, with test interpretation primarily focused at the factor level, rather than the general level suggested in previous studies.

  15. Conjugated organic framework with three-dimensionally ordered stable structure and delocalized π clouds

    PubMed Central

    Guo, Jia; Xu, Yanhong; Jin, Shangbin; Chen, Long; Kaji, Toshihiko; Honsho, Yoshihito; Addicoat, Matthew A.; Kim, Jangbae; Saeki, Akinori; Ihee, Hyotcherl; Seki, Shu; Irle, Stephan; Hiramoto, Masahiro; Gao, Jia; Jiang, Donglin

    2013-01-01

    Covalent organic frameworks are a class of crystalline organic porous materials that can utilize π–π-stacking interactions as a driving force for the crystallization of polygonal sheets to form layered frameworks and ordered pores. However, typical examples are chemically unstable and lack intrasheet π-conjugation, thereby significantly limiting their applications. Here we report a chemically stable, electronically conjugated organic framework with topologically designed wire frameworks and open nanochannels, in which the π conjugation-spans the two-dimensional sheets. Our framework permits inborn periodic ordering of conjugated chains in all three dimensions and exhibits a striking combination of properties: chemical stability, extended π-delocalization, ability to host guest molecules and hole mobility. We show that the π-conjugated organic framework is useful for high on-off ratio photoswitches and photovoltaic cells. Therefore, this strategy may constitute a step towards realizing ordered semiconducting porous materials for innovations based on two-dimensionally extended π systems. PMID:24220603

  16. Order-N Electronic Structure Calculation of n-TYPE GaAs Quantum Dots

    NASA Astrophysics Data System (ADS)

    Nomura, S.; Iitaka, T.

    2008-10-01

    A linear scale method for calculating electronic properties of large and complex systems is introduced within a local density approximation. The method is based on the Chebyshev polynomial expansion and the time-dependent method, which is tested in calculating the electronic structure of a model n-type GaAs quantum dot.

  17. Characterization of carbonized polydopamine nanoparticles suggests ordered supramolecular structure of polydopamine.

    PubMed

    Yu, Xiang; Fan, Hailong; Liu, Yang; Shi, Zujin; Jin, Zhaoxia

    2014-05-20

    Polydopamine is not only a multifunctional biopolymer with promising optoelectronic properties but it is also a versatile coating platform for different surfaces. The structure and formation of polydopamine is an active area of research. Some studies have supposed that polydopamine is composed of covalently bonded dihydroxyindole, indoledione, and dopamine units, but others proposed that noncovalent self-assembly contributes to polydopamine formation as well. However, it is difficult to directly find the details of supramolecular structure of polydopamine via self-assembly. In this study, we first report the graphite-like nanostructure observed in the carbonized polydopamine nanoparticles in nitrogen (or argon) environment at 800 °C. Raman characterization, which presents the typical D band and G band, confirmed the existence of graphite-like nanostructures. Our observation provides clear evidence for a layered-stacking supramolecular structure of polydopamine. Particularly, the size of graphite-like domains is similar to that of disk-shaped aggregates hypothesized in previous study about the polymerization of 5,6-dihydroxyindole [ Biomacromolecules 2012 , 13 , 2379 ]. Analysis of the hierarchical structure of polydopamine helps us understand its formation.

  18. Self-ordering dual-layered honeycomb nanotubular titania: Enhanced structural stability and energy storage capacity

    NASA Astrophysics Data System (ADS)

    Sitler, S. J.; Raja, K. S.; Karmiol, Z.; Chidambaram, D.

    2017-04-01

    Electrochemical energy storage of TiO2 anodic oxide with a novel honeycomb morphology was characterized and compared with that of standard TiO2 nanotubes. The new morphology consists of several smaller-diameter (∼20 nm) nanotubes stacked inside of each honeycomb like hemisphere. The honeycomb like hemispheres are 160-200 nm in diameter with inter-wall thicknesses of 20-50 nm grown onto a planar barrier layer. The dual-layered honeycomb oxide has a total thickness of about 350-500 nm and high surface area. Cyclic voltammetry and galvanostatic charge-discharge tests were carried out on these oxide samples in as-anodized and thermally annealed conditions using 0.1 M NaOH and 0.1 M LiCl + 0.1 M HCl electrolytes. The honeycomb arrays showed an areal capacitance of 56 mF cm-2 at 100 mV s-1 scan rate, and 0.75 mF cm-2 at a current density of 0.1 mA cm-2. The areal capacitance of the honeycomb structured samples were about 60% higher than that of the regular TiO2 nanotubes. The honeycomb structured TiO2 also showed 33% higher capacitance retention after 10,000 cycles than that of regular TiO2 nanotubes. The higher capacitance retention could be attributed to the enhanced structural stability of the honeycomb structures.

  19. Dimensionality and its effects upon the valence electronic structure of ordered metallic systems

    SciTech Connect

    Tobin, J.G.

    1983-07-01

    The system c(10x2)Ag/Cu(001) was investigated with Angle-Resolved Photoemission (ARP), Low Energy Electron Diffraction (LEED) and Auger Electron Spectroscopy (AES). LEED and AES provided the calibration of a quartz microbalance used to measure the amount of silver evaporated onto the copper single crystal and also established the monolayer geometrical structure at one monolayer exposure. An off-normal ARP bandmapping study performed with polarized HeI and NeI radiation demonstrated the electronically two-dimensional nature of the silver d-bands at coverages of near one monolayer. The states at the surface Brillouin Zone center were assigned upon the basis of their polarization dependences and a structural model of hexagonal symmetry. A normal emission ARP experiment was performed at the Stanford Synchrotron Radiation Laboratory (SSRL) over the photon energy range of 6 to 32 eV. Data from it documented the evolution of the valence electronic structure of the silver overlayer from a two-dimensional hexagonal valence to a three-dimensional behavior converging towards that of bulk Ag(111). A structural study was attempted using the ARP technique of Normal Emission Photoelectron Diffraction over the photon energy range of 3.4 to 3.7 keV at SSRL, the results of which are inconclusive.

  20. Chemical Speciation of Neptunium in Spent Fuel. 1st Progress Report

    SciTech Connect

    Czerwinski, Ken; Sherman, Christi; Reed, Don

    2000-03-02

    This project will examine the chemical speciation of neptunium in spent nuclear fuel. The R&D fields covered by the project include waste host materials and actinide chemistry. Examination of neptunium is chosen since it was identified as a radionuclide of concern by the NERI workshop. Additionally, information on the chemical form of neptunium in spent fuel is lacking. The identification of the neptunium species in spent fuel would allow a greater scientific based understanding of its long-term fate and behavior in waste forms. Research to establish the application and development of X-ray synchrotrons radiation (XSR) techniques to determine the structure of aqueous, adsorbed, and solid actinide species of importance to nuclear considerations is being conducted at Argonne. These studies extend current efforts within the Chemical Technology Division at Argonne National Laboratory to investigate actinide speciation with more conventional spectroscopic and solids characterization (e.g. SEM, TEM, and XRD) methods. Our project will utilize all these techniques for determining neptunium speciation in spent fuel. We intend to determine the chemical species and oxidation state of neptunium in spent fuel and alteration phases. Different types of spent fuel will be examined. Once characterized, the chemical behavior of the identified neptunium species will be evaluated if it is not present in the literature. Special attention will be given to the behavior of the neptunium species under typical repository near-field conditions (elevated temperature, high pH, varying Eh). This will permit a timely inclusion of project results into near-field geochemical models. Additionally, project results and methodologies have applications to neptunium in the environment, or treatment of neptunium containing waste.

  1. Local atomic and electronic structure in LaMnO{sub 3} across the orbital ordering transition

    SciTech Connect

    Souza, Raquel A.; Souza-Neto, Narcizo M.; Ramos, Aline Y.; Tolentino, Helio C.N.; Granado, Eduardo

    2004-12-01

    The local atomic disorder and electronic structure in the environment of manganese atoms in LaMnO{sub 3} has been studied by x-ray absorption spectroscopy over a temperature range (300-870 K) covering the orbital ordering transition ({approx}710 K). The Mn-O distance splitting into short and long bonds (1.95 and 2.15 A) is kept across the transition temperature, so that the MnO{sub 6} octahedra remain locally Jahn-Teller distorted. Discontinuities in the Mn local structure are identified in the extended x-ray fine structure spectra at this temperature, associated with a reduction of the disorder in the superexchange angle and to the removal of the anisotropy in the radial disorder within the coordination shell. Subtle changes in the electronic local structure also take place at the Mn site at the transition temperature. The near-edge spectra show a small drop of the Mn 4p hole count and a small enhancement in the pre-edge structures at the transition temperature. These features are associated with an increase of the covalence of the Mn-O bonds. Our results shed light on the local electronic and structural phenomena in a model of order-disorder transition, where the cooperative distortion is overcome by the thermal disorder.

  2. The Role of Aromatic Structural Units of Conjugated Copolymers in Reaching High Solid-State Order and Optoelectronic Performances

    NASA Astrophysics Data System (ADS)

    Wang, Chien-Lung; Hsu, Chain-Shu; Wu, Kuan-Yi; Lee, Tien-Hsin

    2014-03-01

    Solid-state order of conjugated polymers is determinative in converting molecular properties into useful optoelectronic performances. The rapid development in donor-acceptor conjugated copolymers not only prompted device performances of polymeric optoelectronics, but also created wide varieties of complicate aromatic structural units, whose role in the solid-state order remains under studied. The roles of two widely used axisymmetrical aromatic units- 5,6-difluorobenzo-2,1,3-thiadiazole, and dithienocyclopentacarbazole will be discussed in this presentation. 2-dimensional X-ray diffraction, electron diffraction and theoretical molecular simulation showed that ordered solid-state structures were reached in copolymers with strong interchain interaction and good backbone linearity. The enhanced interchain interaction was supported by higher melting temperature and dis-aggregation temperature in the solution. High mobility of 0.29 cm2/Vs and power conversion efficiency of 6.82% were reached in copolymers possess ordered solid-state structure with long correlation lengths. This work is supported by the National Science Council and ``ATP'' of the National Chiao Tung University and Ministry of Education, Taiwan.

  3. TiO2 nanotube arrays for photocatalysis: Effects of crystallinity, local order, and electronic structure

    DOE PAGES

    Liu, Jing; Hosseinpour, Pegah M.; Luo, Si; ...

    2014-11-19

    To furnish insight into correlations of electronic and local structure and photoactivity, arrays of short and long TiO₂ nanotubes were synthesized by electrochemical anodization of Ti foil, followed by thermal treatment in O₂ (oxidizing), Ar (inert), and H₂ (reducing) environments. The physical and electronic structures of these nanotubes were probed with x-ray diffraction, scanning electron microscopy, and synchrotron-based x-ray absorption spectroscopy, and correlated with their photocatalytic properties. The photocatalytic activity of the nanotubes was evaluated by monitoring the degradation of methyl orange under UV-VIS light irradiation. Results show that upon annealing at 350 °C all as-anodized amorphous TiO₂ nanotube samplesmore » partially transform to the anatase structure, with variations in the degree of crystallinity and in the concentration of local defects near the nanotubes' surface (~5 nm) depending on the annealing conditions. Degradation of methyl orange was not detectable for the as-anodized TiO₂ nanotubes regardless of their length. The annealed long nanotubes demonstrated detectable catalytic activity, which was more significant with the H₂-annealed nanotubes than with the Ar- and O₂-annealed nanotube samples. This enhanced photocatalytic response of the H₂-annealed long nanotubes relative to the other samples is positively correlated with the presence of a larger concentration of lattice defects (such as Ti3+ and anticipated oxygen vacancies) and a slightly lower degree of crystallinity near the nanotube surface. These physical and electronic structural attributes impact the efficacy of visible light absorption; moreover, the increased concentration of surface defects is postulated to promote the generation of hydroxyl radicals and thus accelerate the photodegradation of the methyl orange. The information obtained from this study provides unique insight into the role of the near-surface electronic and defect structure

  4. A Preliminary Analysis of Cometary Dust in the 1st Year of the NEOWISE Restarted Mission

    NASA Astrophysics Data System (ADS)

    Kramer, Emily A.; Bauer, James M.; Fernández, Yanga R.; Mainzer, Amy K.; Grav, Tommy; Masiero, Joseph R.; Nugent, Carolyn R.; Sonnett, Sarah; Cutri, Roc; Stevenson, Rachel

    2015-11-01

    As some of the most pristine objects in the Solar System, comets present an opportunity to understand the mechanics and chemistry of the planetary formation era. By studying a large number of comets in different dynamical classes, we can better understand the ensemble properties of the different classes, and begin to characterize the evolution that may have occurred since their formation.In late 2013, the WISE spacecraft was brought out of hibernation, and renamed NEOWISE with a renewed goal to detect and characterize small bodies using its 3.4 and 4.6-micron bands. Survey operations began in December 2013 [1], and the first year of data was publicly released in March 2015 [2]. During the course of the first year of the restarted mission, over 60 comets were serendipitously detected by NEOWISE at heliocentric distances between ~1-7.5 AU, including 3 newly discovered comets. The comets detected were split roughly evenly between short-period and long-period comets, and many displayed extended dust structures. Several of the comets were detected multiple times over the course of the year, and some were also seen during the prime WISE mission. This long baseline allows for an intriguing analysis of long-term cometary behavior.NEOWISE has sampled the behavior of these comet dynamical sub-types over the thermal infrared and near-infrared reflected-light regimes, where effects from different particle size ranges of dust may dominate the morphologies and observed fluxes. We present a preliminary analysis of the cometary dust seen in these data, including dynamical models to constrain the sizes and ages of the dust particles. We discuss how these results compare to those obtained for the comets seen in the 12 and 22-micron WISE prime mission data.Acknowledgments: This publication makes use of data products from (1) WISE, which is a joint project of UCLA and JPL/Caltech, funded by NASA; and (2) NEOWISE, which is a project of JPL/Caltech, funded by the Planetary Science

  5. Prediction of unusual stable ordered structures of Au-Pd alloys via a first-principles cluster expansion

    SciTech Connect

    Barabash, Sergey V.; Blum, Volker; Zunger, Alex; Mueller, Stefan

    2006-07-15

    We describe an iterative procedure which yields an accurate cluster expansion for Au-Pd using only a limited number of ab initio formation enthalpies. Our procedure addresses two problems: (a) given the local-density-approximation (LDA) formation energies for a fixed set of structures, it finds the pair and many-body cluster interactions best able to predict the formation energies of new structures, and (b) given such pair and many-body interactions, it augments the LDA set of 'input structures' by identifying additional structures that carry most information not yet included in the 'input'. Neither step can be done by intuitive selection. Using methods including genetic algorithm and statistical analysis to iteratively solve these problems, we build a cluster expansion able to predict the formation enthalpy of an arbitrary fcc lattice configuration with precision comparable to that of ab initio calculations themselves. We also study possible competing non-fcc structures of Au-Pd, using the results of a 'data mining' study. We then address the unresolved problem of bulk ordering in Au-Pd. Experimentally, the phase diagram of Au-Pd shows only a disordered solid solution. Even though the mixing enthalpy is negative, implying ordering, no ordered bulk phases have been detected. Thin film growth shows L1{sub 2}-ordered structures with composition Au{sub 3}Pd and AuPd{sub 3} and L1{sub 0} structure with composition AuPd. We find that (i) all the ground states of Au-Pd are fcc structures; (ii) the low-T ordered states of bulk Au-Pd are different from those observed experimentally in thin films; specifically, the ordered bulk Au{sub 3}Pd is stable in D0{sub 23} structure and and AuPd in chalcopyritelike Au{sub 2}Pd{sub 2} (201) superlattice structure, whereas thin films are seen in the L1{sub 2} and L1{sub 0} structures; (iii) AuPd{sub 3} L1{sub 2} is stable and does not phase separate, contrary to the suggestions of an earlier investigation; (iv) at compositions around

  6. Two-dimensional artificial light-harvesting antennae with predesigned high-order structure and robust photosensitising activity

    NASA Astrophysics Data System (ADS)

    Feng, Xiao; Ding, Xuesong; Chen, Long; Wu, Yang; Liu, Lili; Addicoat, Matthew; Irle, Stephan; Dong, Yuping; Jiang, Donglin

    2016-09-01

    Highly ordered discrete assemblies of chlorophylls that are found in natural light-harvesting antennae are key to photosynthesis, which converts light energy to chemical energy and is the principal producer of organic matter on Earth. Porphyrins and phthalocyanines, which are analogues of chlorophylls, exhibit a strong absorbance of visible and near-infrared light, respectively. A highly ordered porphyrin-co-phthalocyanine antennae would harvest photons over the entire solar spectrum for chemical transformation. However, such a robust antennae has not yet been synthesised. Herein, we report a strategy that merges covalent bonds and noncovalent forces to produce highly ordered two-dimensional porphyrin-co-phthalocyanine antennae. This methodology enables control over the stoichiometry and order of the porphyrin and phthalocyanine units; more importantly, this approach is compatible with various metalloporphyrin and metallophthalocyanine derivatives and thus may lead to the generation of a broad structural diversity of two-dimensional artificial antennae. These ordered porphyrin-co-phthalocyanine two-dimensional antennae exhibit unique optical properties and catalytic functions that are not available with single-component or non-structured materials. These 2D artificial antennae exhibit exceptional light-harvesting capacity over the entire solar spectrum as a result of a synergistic light-absorption effect. In addition, they exhibit outstanding photosensitising activities in using both visible and near-infrared photons for producing singlet oxygen.

  7. Two-dimensional artificial light-harvesting antennae with predesigned high-order structure and robust photosensitising activity

    PubMed Central

    Feng, Xiao; Ding, Xuesong; Chen, Long; Wu, Yang; Liu, Lili; Addicoat, Matthew; Irle, Stephan; Dong, Yuping; Jiang, Donglin

    2016-01-01

    Highly ordered discrete assemblies of chlorophylls that are found in natural light-harvesting antennae are key to photosynthesis, which converts light energy to chemical energy and is the principal producer of organic matter on Earth. Porphyrins and phthalocyanines, which are analogues of chlorophylls, exhibit a strong absorbance of visible and near-infrared light, respectively. A highly ordered porphyrin-co-phthalocyanine antennae would harvest photons over the entire solar spectrum for chemical transformation. However, such a robust antennae has not yet been synthesised. Herein, we report a strategy that merges covalent bonds and noncovalent forces to produce highly ordered two-dimensional porphyrin-co-phthalocyanine antennae. This methodology enables control over the stoichiometry and order of the porphyrin and phthalocyanine units; more importantly, this approach is compatible with various metalloporphyrin and metallophthalocyanine derivatives and thus may lead to the generation of a broad structural diversity of two-dimensional artificial antennae. These ordered porphyrin-co-phthalocyanine two-dimensional antennae exhibit unique optical properties and catalytic functions that are not available with single-component or non-structured materials. These 2D artificial antennae exhibit exceptional light-harvesting capacity over the entire solar spectrum as a result of a synergistic light-absorption effect. In addition, they exhibit outstanding photosensitising activities in using both visible and near-infrared photons for producing singlet oxygen. PMID:27622274

  8. Synthesis on structure and properties of zinc nanocrystal in high ordered 3D nanostructures

    SciTech Connect

    Sathyaseelan, B.; Manigandan, A.; Anbarasu, V.; Sivakumar, K.

    2015-06-24

    The wet impregnation method was employed to prepare ZnO encapsulated in mesoporous silica (ZnO/KIT-6). The prepared ZnO/KIT-6 samples have been studied by X-ray diffraction, transmission electron microscope, and nitrogen adsorption–desorption isotherm. The low angle powder XRD patterns of Calcined ZnO/KIT-6 materials showed a phase that can be indexed to cubic Ia3d. Tem images revealed well ordered cubic 3D nanoporous chennels. The ZnO encapsulated in KIT-6 can be used as light-emitting diodes and ultraviolet nanolasers.

  9. Vibration suppression of laminated shell structures investigated using higher order shear deformation theory

    NASA Astrophysics Data System (ADS)

    Lee, S. J.; Reddy, J. N.

    2004-10-01

    Third-order shear deformation theories of laminated composite shells are developed using the strain-displacement relations of Donnell and Sanders theories. These theories also account for geometric nonlinearity in the von Kármán sense. Analytical (Navier) solutions for vibration suppression in cross-ply laminated composite shells with surface mounted smart material layers are developed using the linear versions of the two shell theories and for simply supported boundary conditions. Numerical results are presented to bring out the parametric effects of shell types (cylindrical, spherical, and doubly curved shells) and material properties on vibration suppression. A simple negative velocity feedback control in a closed loop is used.

  10. Synthesis on structure and properties of zinc nanocrystal in high ordered 3D nanostructures

    NASA Astrophysics Data System (ADS)

    Sathyaseelan, B.; Manigandan, A.; Anbarasu, V.; Sivakumar, K.

    2015-06-01

    The wet impregnation method was employed to prepare ZnO encapsulated in mesoporous silica (ZnO/KIT-6). The prepared ZnO/KIT-6 samples have been studied by X-ray diffraction, transmission electron microscope, and nitrogen adsorption-desorption isotherm. The low angle powder XRD patterns of Calcined ZnO/KIT-6 materials showed a phase that can be indexed to cubic Ia3d. Tem images revealed well ordered cubic 3D nanoporous chennels. The ZnO encapsulated in KIT-6 can be used as light-emitting diodes and ultraviolet nanolasers.

  11. Small-x evolution of structure functions in the next-to-leading order

    SciTech Connect

    Giovanni A. Chirilli

    2010-01-01

    The high-energy behavior of amplitudes in gauge theories can be reformulated in terms of the evolution of Wilson-line operators. In the leading order this evolution is governed by the non-linear Balitsky-Kovchegov (BK) equation. In QCD the NLO kernel has both conformal and non-conformal parts. To separate the conformally invariant effects from the running-coupling effects, we calculate the NLO evolution of the color dipoles in the conformal N = 4 SYM theory, then we define the "composite dipole operator", and the resulting Mobius invariant kernel for this operator agrees with the forward NLO BFKL calculation.

  12. The electronic structure and the state of compositional order in metallic alloys

    SciTech Connect

    Gyorffy, B.L.; Johnson, D.D.; Pinski, F.J.; Nicholson, D.M.; Stocks, G.M.

    1987-01-01

    Many two-component (A,B) systems crystallize into a random solid solution. In such a state the atoms occupy a more or less regular array of lattice sites but each site can be A or B in a random fashion. Then, on lowering the temperature, the system will either phase separate or order, starting at some transition temperature T/sub c/. The aim of these lectures is to present a microscopic approach to the understanding of these scientifically interesting and technologically important processes. 64 refs., 19 figs.

  13. Highly ordered porous alumina with tailor-made pore structures fabricated by pulse anodization.

    PubMed

    Lee, Woo; Kim, Jae-Cheon

    2010-12-03

    A new anodization method for the preparation of nanoporous anodic aluminum oxide (AAO) with pattern-addressed pore structure was developed. The approach is based on pulse anodization of aluminum employing a series of potential waves that consist of two or more different pulses with designated periods and amplitudes, and provides unique tailoring capability of the internal pore structure of anodic alumina. Pores of the resulting AAOs exhibit a high degree of directional coherency along the pore axes without branching, and thus are suitable for fabricating novel nanowires or nanotubes, whose diameter modulation patterns are predefined by the internal pore geometry of AAO. It is found from microscopic analysis on pulse anodized AAOs that the effective electric field strength at the pore base is a key controlling parameter, governing not only the size of pores, but also the detailed geometry of the barrier oxide layer.

  14. Electronic structure of ordered double perovskite Ba2CoWO6

    NASA Astrophysics Data System (ADS)

    Ray, Rajyavardhan; Himanshu, A. K.; Brajesh, Kumar; Choudhary, B. K.; Bandyopadhyay, S. K.; Sen, Pintu; Kumar, Uday; Sinha, T. P.

    2014-04-01

    Ba2CoWO6 (BCoW) has been synthesized in polycrystalline form by solid state reaction at 1200 °C. Structural characterization of the compound was done through X-ray diffraction (XRD) followed by Rietveld analysis of the XRD pattern. The crystal structure is cubic, space group Fm-3m (No. 225) with the lattice parameter, a = 8.210. Optical band-gap of the present system has been calculated using the UV-Vis Spectroscopy and Kubelka-Munk function, it's value being 2.45 eV. A detailed study of the electronic properties has also been carried out using the density functional theory (DFT) techniques implemented on WIEN2k. Importance of electron-electron interaction between the Co ions leading to half-metallic behavior, crystal and exchange splitting together with the hybridization between O and Co, W has been investigated using the total and partial density of states.

  15. Supramolecular control over the structural organization of a second-order NLO-active organogelator.

    PubMed

    Aparicio, Fátima; Faour, Lara; Gindre, Denis; Canevet, David; Sallé, Marc

    2016-10-19

    A study of the structural parameters which govern the supramolecular organization of an organogelator built from the Disperse Red moiety is proposed. In particular, the key balance between intermolecular H-bonding and/or π-π interactions is addressed by comparing the effect of a secondary amide vs. an ester linker within the molecular structure. Solution (1)H-NMR studies show the superiority of the former interaction in promoting the nanostructuring process, allowing it to reach a gel state in toluene. The nanostructures obtained from both the amide and the ester derivatives were also studied in the solid state. In particular, the use of second-harmonic generation microscopy demonstrates that an anisotropic organization of the material can even be observed in the case of the ester derivative, which demonstrates the efficiency of the tris(alkoxy)benzene unit in directing the self-assembly process, independently of additional H-bond interactions.

  16. Low amplitude insult project: Structural analysis and prediction of low order reaction

    SciTech Connect

    Scammon, R.J.; Browning, R.V.; Middleditch, J.; Dienes, J.K.; Haberman, K.S.; Bennett, J.G.

    1998-12-31

    The low velocity impact sensitivity of PBX 9501 has been investigated through a series of experiments based on the Steven Test targets and a set of Shear Impact experiments. The authors describe calculations done using DYNA2D, SPRONTO and DYNA3D to support these, and other, low amplitude insult experiments. The calculations allow them to study pressure and strain rate variables, to investigate structural aspects of the experiment, and to predict velocities required for reaction. Structural analyses have played an active role in this project beginning with the original target design and continuing through analyses of the experimental results. Alternative designs and various ideas for active instrumentation were examined as part of the experiment evolution process. Predictions of reaction are used to guide these design studies, even though the authors do not yet have enough experimental data to fully calibrate any of the models.

  17. Phase transitions and ordering structures of a model of a chiral helimagnet in three dimensions

    NASA Astrophysics Data System (ADS)

    Nishikawa, Yoshihiko; Hukushima, Koji

    2016-08-01

    Phase transitions in a classical Heisenberg spin model of a chiral helimagnet with the Dzyaloshinskii-Moriya interaction in three dimensions are numerically studied. By using the event-chain Monte Carlo algorithm recently developed for particle and continuous spin systems, we perform equilibrium Monte Carlo simulations for large systems up to about 106 spins. Without magnetic fields, the system undergoes a continuous phase transition with critical exponents of the three-dimensional XY model, and a uniaxial periodic helical structure emerges in the low-temperature region. In the presence of a magnetic field perpendicular to the axis of the helical structure, it is found that there exists a critical point on the temperature and magnetic-field phase diagram and that above the critical point the system exhibits a phase transition with strong divergence of the specific heat and the uniform magnetic susceptibility.

  18. Monte Carlo simulation of ionizing radiation induced DNA strand breaks utilizing coarse grained high-order chromatin structures

    NASA Astrophysics Data System (ADS)

    Liang, Ying; Yang, Gen; Liu, Feng; Wang, Yugang

    2016-01-01

    Ionizing radiation threatens genome integrity by causing DNA damage. Monte Carlo simulation of the interaction of a radiation track structure with DNA provides a powerful tool for investigating the mechanisms of the biological effects. However, the more or less oversimplification of the indirect effect and the inadequate consideration of high-order chromatin structures in current models usually results in discrepancies between simulations and experiments, which undermine the predictive role of the models. Here we present a biophysical model taking into consideration factors that influence indirect effect to simulate radiation-induced DNA strand breaks in eukaryotic cells with high-order chromatin structures. The calculated yields of single-strand breaks and double-strand breaks (DSBs) for photons are in good agreement with the experimental measurements. The calculated yields of DSB for protons and α particles are consistent with simulations by the PARTRAC code, whereas an overestimation is seen compared with the experimental results. The simulated fragment size distributions for 60Co γ irradiation and α particle irradiation are compared with the measurements accordingly. The excellent agreement with 60Co irradiation validates our model in simulating photon irradiation. The general agreement found in α particle irradiation encourages model applicability in the high linear energy transfer range. Moreover, we demonstrate the importance of chromatin high-order structures in shaping the spectrum of initial damage.

  19. Method and apparatus for forming ceramic oxide superconductors with ordered structure

    DOEpatents

    Nellis, W.J.; Maple, M.B.

    1987-12-23

    Disclosed are products and processes for making improved magnetic and superconducting articles from anisotropic starting materials by initially reducing the starting materials into a powdered form composed of particles of uniform directional crystal structures, forming a directionally uniform aggregate of particles by exposing the aggregate to a magnetic field of desired magnitude and direction, and then compacting the aggregate into an integral solid body. 2 Figs.

  20. Higher-order proton structure corrections to the Lamb shift in muonic hydrogen

    SciTech Connect

    Carlson, Carl E.; Vanderhaeghen, Marc

    2011-08-15

    The recent conundrum with the proton charge radius inspires reconsideration of the corrections that enter into determinations of the proton size. We study the two-photon proton-structure corrections, with special consideration of the nonpole subtraction term in the dispersion relation and using fits to modern data to evaluate the energy contributions. We find that individual contributions change more than the total and present results with error estimates.