Science.gov

Sample records for direct real-space observation

  1. Direct real-space observation of nearly stochastic behavior in magnetization reversal process on a nanoscale

    SciTech Connect

    Im, M.-Y.; Kim, D.-H.; Lee, K.-D.; Fischer, P.; Shin, S.-C.

    2007-06-01

    We report a non-deterministic nature in the magnetization reversal of nanograins of CoCrPt alloy film. Magnetization reversal process of CoCrPt alloy film is investigated using high resolution soft X-ray microscopy which provides real space images with a spatial resolution of 15 nm. Domain nucleation sites mostly appear stochastically distributed within repeated hysteretic cycles, where the correlation increases as the strength of the applied magnetic field increases in the descending and ascending branches of the major hysteresis loop. In addition, domain configuration is mostly asymmetric with inversion of an applied magnetic field in the hysteretic cycle. Nanomagnetic simulation considering thermal fluctuations of the magnetic moments of the grains explains the nearly stochastic nature of the domain nucleation behavior observed in CoCrPt alloy film. With the bit size in high-density magnetic recording media approaching nanometer length scale, one of the fundamental and crucial issues is whether the domain nucleation during magnetization reversal process exhibits a deterministic behavior. Repeatability of local domain nucleation and deterministic switching behavior are basic and essential factors for achieving high performance in high-density magnetic recording [1-3]. Most experimental studies on this issue reported so far have been mainly performed by indirect probes through macroscopic hysteresis loop and Barkhausen pattern measurements, which provide the ensemble-average magnetization. Thus, they are inadequate to gain insight into the domain-nucleation behavior on a nanometer length scale during the magnetization reversal process [4-6]. Very recently, coherent X-ray speckle metrology, where the speckle pattern observed in reciprocal space acts as a fingerprint of the domain configurations, was adopted to investigate stochastic behavior in the magnetization reversal of a Co/Pt multilayer film [7,8]. However, no direct observation on the stochastic behavior of

  2. Real-space observation of strong metal-support interaction: state-of-the-art and what's the next.

    PubMed

    Shi, X Y; Zhang, W; Zhang, C; Zheng, W T; Chen, H; Qi, J G

    2016-06-01

    The real-space resolving of the encapsulated overlayer in the well-known model and industry catalysts, ascribed to the advent of dedicated transmission electron microscopy, enables us to probe novel nano/micro architecture chemistry for better application, revisiting our understanding of this key issue in heterogeneous catalysis. In this review, we summarize the latest progress of real-space observation of SMSI in several well-known systems mainly covered from the metal catalysts (mostly Pt) supported by the TiO2 , CeO2 and Fe3 O4 . As a comparison with the model catalyst Pt/Fe3 O4 , the industrial catalyst Cu/ZnO is also listed, followed with the suggested ongoing directions in the field. PMID:26694903

  3. An atomic model of brome mosaic virus using direct electron detection and real-space optimization

    NASA Astrophysics Data System (ADS)

    Wang, Zhao; Hryc, Corey F.; Bammes, Benjamin; Afonine, Pavel V.; Jakana, Joanita; Chen, Dong-Hua; Liu, Xiangan; Baker, Matthew L.; Kao, Cheng; Ludtke, Steven J.; Schmid, Michael F.; Adams, Paul D.; Chiu, Wah

    2014-09-01

    Advances in electron cryo-microscopy have enabled structure determination of macromolecules at near-atomic resolution. However, structure determination, even using de novo methods, remains susceptible to model bias and overfitting. Here we describe a complete workflow for data acquisition, image processing, all-atom modelling and validation of brome mosaic virus, an RNA virus. Data were collected with a direct electron detector in integrating mode and an exposure beyond the traditional radiation damage limit. The final density map has a resolution of 3.8 Å as assessed by two independent data sets and maps. We used the map to derive an all-atom model with a newly implemented real-space optimization protocol. The validity of the model was verified by its match with the density map and a previous model from X-ray crystallography, as well as the internal consistency of models from independent maps. This study demonstrates a practical approach to obtain a rigorously validated atomic resolution electron cryo-microscopy structure.

  4. An atomic model of brome mosaic virus using direct electron detection and real-space optimization.

    PubMed

    Wang, Zhao; Hryc, Corey F; Bammes, Benjamin; Afonine, Pavel V; Jakana, Joanita; Chen, Dong-Hua; Liu, Xiangan; Baker, Matthew L; Kao, Cheng; Ludtke, Steven J; Schmid, Michael F; Adams, Paul D; Chiu, Wah

    2014-01-01

    Advances in electron cryo-microscopy have enabled structure determination of macromolecules at near-atomic resolution. However, structure determination, even using de novo methods, remains susceptible to model bias and overfitting. Here we describe a complete workflow for data acquisition, image processing, all-atom modelling and validation of brome mosaic virus, an RNA virus. Data were collected with a direct electron detector in integrating mode and an exposure beyond the traditional radiation damage limit. The final density map has a resolution of 3.8 Å as assessed by two independent data sets and maps. We used the map to derive an all-atom model with a newly implemented real-space optimization protocol. The validity of the model was verified by its match with the density map and a previous model from X-ray crystallography, as well as the internal consistency of models from independent maps. This study demonstrates a practical approach to obtain a rigorously validated atomic resolution electron cryo-microscopy structure. PMID:25185801

  5. An atomic model of brome mosaic virus using direct electron detection and real-space optimization

    PubMed Central

    Wang, Zhao; Hryc, Corey F.; Bammes, Benjamin; Afonine, Pavel V.; Jakana, Joanita; Chen, Dong-Hua; Liu, Xiangan; Baker, Matthew L.; Kao, Cheng; Ludtke, Steven J.; Schmid, Michael F.; Adams, Paul D.; Chiu, Wah

    2014-01-01

    Advances in electron cryo-microscopy have enabled structure determination of macromolecules at near-atomic resolution. However, structure determination, even using de novo methods, remains susceptible to model bias and overfitting. Here we describe a complete workflow for data acquisition, image processing, all-atom modelling and validation of brome mosaic virus, an RNA virus. Data were collected with a direct electron detector in integrating mode and an exposure beyond the traditional radiation damage limit. The final density map has a resolution of 3.8 Å as assessed by two independent data sets and maps. We used the map to derive an all-atom model with a newly implemented real-space optimization protocol. The validity of the model was verified by its match with the density map and a previous model from X-ray crystallography, as well as the internal consistency of models from independent maps. This study demonstrates a practical approach to obtain a rigorously validated atomic resolution electron cryo-microscopy structure. PMID:25185801

  6. Direct real space observation of magneto-electronic inhomogeneity in ultra-thin film La{sub 0.5}Sr{sub 0.5}CoO{sub 3−δ} on SrTiO{sub 3}(001)

    SciTech Connect

    Kelly, S.; Galli, F.; Aarts, J. E-mail: aarts@physics.leidenuniv.nl; Bose, Shameek; Sharma, M.; Leighton, C. E-mail: aarts@physics.leidenuniv.nl

    2014-09-15

    Recent magnetotransport and neutron scattering measurements implicate interfacial magneto-electronic phase separation as the origin of the degradation in transport and magnetism in ultra-thin film La{sub 1−x}Sr{sub x}CoO{sub 3} on SrTiO{sub 3}(001). Here, using low temperature scanning tunneling microscopy and spectroscopy the first direct, real space observation of this nanoscopic electronic inhomogeneity is provided. Films of thickness 12.4 nm (32 unit cells) are found to exhibit spatially uniform conductance, in stark contrast to 4.7 nm (12 unit cell) films that display rich variations in conductance, and thus local density of states. The electronic heterogeneity occurs across a hierarchy of length scales (5–50 nm), with complex correlations with both topography and applied magnetic fields. These results thus provide a direct observation of magneto-electronic inhomogeneity in SrTiO{sub 3}(001)/La{sub 0.5}Sr{sub 0.5}CoO{sub 3} at thicknesses below 6–7 nm, in good agreement with less direct techniques.

  7. Real-space observation of unbalanced charge distribution inside a perovskite-sensitized solar cell.

    PubMed

    Bergmann, Victor W; Weber, Stefan A L; Javier Ramos, F; Nazeeruddin, Mohammad Khaja; Grätzel, Michael; Li, Dan; Domanski, Anna L; Lieberwirth, Ingo; Ahmad, Shahzada; Berger, Rüdiger

    2014-01-01

    Perovskite-sensitized solar cells have reached power conversion efficiencies comparable to commercially available solar cells used for example in solar farms. In contrast to silicon solar cells, perovskite-sensitized solar cells can be made by solution processes from inexpensive materials. The power conversion efficiency of these cells depends substantially on the charge transfer at interfaces. Here we use Kelvin probe force microscopy to study the real-space cross-sectional distribution of the internal potential within high efficiency mesoscopic methylammonium lead tri-iodide solar cells. We show that the electric field is homogeneous through these devices, similar to that of a p-i-n type junction. On illumination under short-circuit conditions, holes accumulate in front of the hole-transport layer as a consequence of unbalanced charge transport in the device. After light illumination, we find that trapped charges remain inside the active device layers. Removing these traps and the unbalanced charge injection could enable further improvements in performance of perovskite-sensitized solar cells. PMID:25242041

  8. Real-Space Direct Visualization of the Layer-Dependent Roughening Transition in Nanometer-Thick Pb Films

    NASA Astrophysics Data System (ADS)

    Calleja, F.; Passeggi, M. C. G., Jr.; Hinarejos, J. J.; de Parga, A. L. Vázquez; Miranda, R.

    2006-11-01

    By means of variable-temperature scanning tunneling microscopy and spectroscopy we studied the thickness-dependent roughening temperature of Pb films grown on Cu(111), whose electronic structure and total energy is controlled by quantum well states created by the spatial confinement of electrons. Large scale STM images are employed to quantify the layer population, i.e., the fraction of the surface area covered by different Pb thicknesses, directly in the real space as a function of temperature. The roughening temperature oscillates repeatedly with bilayer periodicity plus a longer beating period, mirroring the thickness dependence of surface energy calculations. Conditions have been found to stabilize at 300 K Pb films of particular magic thicknesses, atomically flat over microns.

  9. Real-space observation of metal-insulator transition at complex oxide heterointerface with cross-sectional STM

    NASA Astrophysics Data System (ADS)

    Chiu, Ya-Ping; Lin, Jheng-Cyuan; Thanh, Tra-Vu; Lin, Tai-Te; Huang, Po-Cheng; Huang, Bo-Chao; Lin, Jiunn-Yuan; Chu, Ying-Hao

    We report the direct observation of tunable electronic property through visible light at LaAlO3 / SrTiO3 (LAO/STO) complex oxide heterointerface using cross-sectional scanning tunneling microscopy and spectroscopy (XSTM/S). Many researches have shown that for the interface to be conducting, the thickness of LAO should be equal to or greater than the critical value 4 unit cells (u.c.). With LAO surface modification by Au clusters, interfacial two-dimensional electron gas presents a giant optical switching effect under visible light illuminated. In this study, through the interaction between photons and electrons system, a direct observation of the evolution of electronic structures from insulating to conducting has been revealed in the LAO (3u.c.)/STO model using the technique of cross-sectional scanning tunneling microscopy and spectroscopy. Results clearly reveal the changes in the built-in electric field in LAO and the band bending in the STO adjacent to the interface after light illumination. National Sun Yat-sen University, Taiwan; Academia Sinica, Taiwan.

  10. Real-Space Observation of Nano-Scale Inhomogeneities and Fluctuations in a Phase Transition of a Surface Quasi-One Dimensional System: In/Si(111)

    SciTech Connect

    Lee, G.; Guo, Jiandong; Plummer, E Ward

    2005-01-01

    We report direct visualizations of the fluctuation and condensation phenomena in a phase transition of a one-dimensional (1D) In/Si(111) system using scanning tunneling microscopy. The high-temperature (HT) and low-temperature (LT) phases are found to coexist on the nanometer scale near T{sub c}. Above T{sub c}, 1D LT-phase stripes fluctuate in the HT phase and coalesce into 2D islands with decreasing temperature. They condense to make the LT phase below T{sub c}. Small areas of the HT phase also exist below T{sub c}. The observed temperature-dependent evolution of the nanoscale inhomogeneities is consistent with the theoretical predictions for a second-order phase transition.

  11. Direct observation detonator operation

    NASA Astrophysics Data System (ADS)

    Hall, Charles R.

    2001-11-01

    The analysis of detonator-timing performance has involved the use of rotating-mirror cameras (RMC) used in the streak mode and high-speed film. Fiducial timing marks are applied to the film to provide temporal references. The use of a RMC for detonator analysis requires aligning the camera, performing an exposure test, capturing light from the detonation and then processing the film. This procedure can take up to an hour for two technicians. After the film is possessed another technician compares each light streak on the film with the fiducial timing marks also recorded on the film. Capturing light from a detonator and recording it directly to a digitizer can improve detonator-timing measurement in several ways. The digitized signals can then be directly analyzed with software. The direct recording method reduces the need for expensive rotating mirror cameras, film processing and subjective optical measurement comparison. Furthermore, an extensive support facility requiring several specialized technicians is reduced to a single technician in a modest laboratory. This technician is then capable of performing several tests an hour. Tests were preformed to measure light intensity at detonation. An optical method of capturing the light was designed using a remote microscope coupled to optical fiber to bring the light to an optical/electrical converter and a digitizer then records the signal. This system is presently used in parallel with a RMC. The results are compared for accuracy.

  12. Field Operators in Real Space.

    PubMed

    Cederbaum, Lorenz S

    2016-05-19

    Field operators are widely used in many-body theory of indistinguishable particles. In this work it is shown that these operators can be represented solely in position space. Explicit expressions for the field operators in position space are given. Using the derived expression, we further show how by generalizing operators in first quantization to arbitrary particle numbers, one can directly connect to the respective operators in second quantization. A few illustrative examples are also presented. PMID:26594868

  13. Real-space Berry phases: Skyrmion soccer (invited)

    SciTech Connect

    Everschor-Sitte, Karin Sitte, Matthias

    2014-05-07

    Berry phases occur when a system adiabatically evolves along a closed curve in parameter space. This tutorial-like article focuses on Berry phases accumulated in real space. In particular, we consider the situation where an electron traverses a smooth magnetic structure, while its magnetic moment adjusts to the local magnetization direction. Mapping the adiabatic physics to an effective problem in terms of emergent fields reveals that certain magnetic textures, skyrmions, are tailormade to study these Berry phase effects.

  14. Real-space Berry phases: Skyrmion soccer (invited)

    NASA Astrophysics Data System (ADS)

    Everschor-Sitte, Karin; Sitte, Matthias

    2014-05-01

    Berry phases occur when a system adiabatically evolves along a closed curve in parameter space. This tutorial-like article focuses on Berry phases accumulated in real space. In particular, we consider the situation where an electron traverses a smooth magnetic structure, while its magnetic moment adjusts to the local magnetization direction. Mapping the adiabatic physics to an effective problem in terms of emergent fields reveals that certain magnetic textures, skyrmions, are tailormade to study these Berry phase effects.

  15. Visualizing coherent intermolecular dipole-dipole coupling in real space.

    PubMed

    Zhang, Yang; Luo, Yang; Zhang, Yao; Yu, Yun-Jie; Kuang, Yan-Min; Zhang, Li; Meng, Qiu-Shi; Luo, Yi; Yang, Jin-Long; Dong, Zhen-Chao; Hou, J G

    2016-03-31

    Many important energy-transfer and optical processes, in both biological and artificial systems, depend crucially on excitonic coupling that spans several chromophores. Such coupling can in principle be described in a straightforward manner by considering the coherent intermolecular dipole-dipole interactions involved. However, in practice, it is challenging to directly observe in real space the coherent dipole coupling and the related exciton delocalizations, owing to the diffraction limit in conventional optics. Here we demonstrate that the highly localized excitations that are produced by electrons tunnelling from the tip of a scanning tunnelling microscope, in conjunction with imaging of the resultant luminescence, can be used to map the spatial distribution of the excitonic coupling in well-defined arrangements of a few zinc-phthalocyanine molecules. The luminescence patterns obtained for excitons in a dimer, which are recorded for different energy states and found to resemble σ and π molecular orbitals, reveal the local optical response of the system and the dependence of the local optical response on the relative orientation and phase of the transition dipoles of the individual molecules in the dimer. We generate an in-line arrangement up to four zinc-phthalocyanine molecules, with a larger total transition dipole, and show that this results in enhanced 'single-molecule' superradiance from the oligomer upon site-selective excitation. These findings demonstrate that our experimental approach provides detailed spatial information about coherent dipole-dipole coupling in molecular systems, which should enable a greater understanding and rational engineering of light-harvesting structures and quantum light sources. PMID:27029277

  16. Visualizing coherent intermolecular dipole–dipole coupling in real space

    NASA Astrophysics Data System (ADS)

    Zhang, Yang; Luo, Yang; Zhang, Yao; Yu, Yun-Jie; Kuang, Yan-Min; Zhang, Li; Meng, Qiu-Shi; Luo, Yi; Yang, Jin-Long; Dong, Zhen-Chao; Hou, J. G.

    2016-03-01

    Many important energy-transfer and optical processes, in both biological and artificial systems, depend crucially on excitonic coupling that spans several chromophores. Such coupling can in principle be described in a straightforward manner by considering the coherent intermolecular dipole–dipole interactions involved. However, in practice, it is challenging to directly observe in real space the coherent dipole coupling and the related exciton delocalizations, owing to the diffraction limit in conventional optics. Here we demonstrate that the highly localized excitations that are produced by electrons tunnelling from the tip of a scanning tunnelling microscope, in conjunction with imaging of the resultant luminescence, can be used to map the spatial distribution of the excitonic coupling in well-defined arrangements of a few zinc-phthalocyanine molecules. The luminescence patterns obtained for excitons in a dimer, which are recorded for different energy states and found to resemble σ and π molecular orbitals, reveal the local optical response of the system and the dependence of the local optical response on the relative orientation and phase of the transition dipoles of the individual molecules in the dimer. We generate an in-line arrangement up to four zinc-phthalocyanine molecules, with a larger total transition dipole, and show that this results in enhanced ‘single-molecule’ superradiance from the oligomer upon site-selective excitation. These findings demonstrate that our experimental approach provides detailed spatial information about coherent dipole–dipole coupling in molecular systems, which should enable a greater understanding and rational engineering of light-harvesting structures and quantum light sources.

  17. Relativistic real-space multiple scattering calculations of EELS

    NASA Astrophysics Data System (ADS)

    Jorissen, K.; Rehr, J. J.; Sorini, A.; Levine, Z. H.

    2006-03-01

    We present an extension of the real space multiple scattering code FEFF8 for ab initio, relativistic calculations of electron energy loss spectra (EELS), which is applicable both to periodic and non-periodic systems. The approach explains the observed relativistic shifts in the magic angle. In addition, the method can account for experimental parameters such as collection and convergence angles of the microscope and sample orientation. We also discuss relativistic effects on inelastic electron scattering including the density correction to the stopping power. Our results are compared with other approaches and with experiment. B. Jouffrey, P. Schattschneider and C. Hebert, Ultramicroscopy 102, 61 (2004).

  18. Real-space renormalized dynamical mean field theory

    NASA Astrophysics Data System (ADS)

    Kubota, Dai; Sakai, Shiro; Imada, Masatoshi

    2016-05-01

    We propose real-space renormalized dynamical mean field theory (rr-DMFT) to deal with large clusters in the framework of a cluster extension of the DMFT. In the rr-DMFT, large clusters are decomposed into multiple smaller clusters through a real-space renormalization. In this work, the renormalization effect is taken into account only at the lowest order with respect to the intercluster coupling, which nonetheless reproduces exactly both the noninteracting and atomic limits. Our method allows us large cluster-size calculations which are intractable with the conventional cluster extensions of the DMFT with impurity solvers, such as the continuous-time quantum Monte Carlo and exact diagonalization methods. We benchmark the rr-DMFT for the two-dimensional Hubbard model on a square lattice at and away from half filling, where the spatial correlations play important roles. Our results on the spin structure factor indicate that the growth of the antiferromagnetic spin correlation is taken into account beyond the decomposed cluster size. We also show that the self-energy obtained from the large-cluster solver is reproduced by our method better than the solution obtained directly for the smaller cluster. When applied to the Mott metal-insulator transition, the rr-DMFT is able to reproduce the reduced critical value for the Coulomb interaction comparable to the large cluster result.

  19. Real-space renormalization in statistical mechanics

    NASA Astrophysics Data System (ADS)

    Efrati, Efi; Wang, Zhe; Kolan, Amy; Kadanoff, Leo P.

    2014-04-01

    This review compares the conceptualization and practice of early real-space renormalization group methods with the conceptualization of more recent real-space transformations based on tensor networks. For specificity, it focuses upon two basic methods: the "potential-moving" approach most used in the period 1975-1980 and the "rewiring method" as it has been developed in the last five years. The newer method, part of a development called the tensor renormalization group, was originally based on principles of quantum entanglement. It is specialized for computing approximations for tensor products constituting, for example, the free energy or the ground state energy of a large system. It can attack a wide variety of problems, including quantum problems, which would otherwise be intractable. The older method is formulated in terms of spin variables and permits a straightforward construction and analysis of fixed points in rather transparent terms. However, in the form described here it is unsystematic, offers no path for improvement, and of unknown reliability. The new method is formulated in terms of index variables which may be considered as linear combinations of the statistical variables. Free energies emerge naturally, but fixed points are more subtle. Further, physical interpretations of the index variables are often elusive due to a gauge symmetry which allows only selected combinations of tensor entries to have physical significance. In applications, both methods employ analyses with varying degrees of complexity. The complexity is parametrized by an integer called χ (or D in the recent literature). Both methods are examined in action by using them to compute fixed points related to Ising models for small values of the complexity parameter. They behave quite differently. The old method gives a reasonably good picture of the fixed point, as measured, for example, by the accuracy of the measured critical indices. This happens at low values of χ, but there is no

  20. Real-space collapse of a polariton condensate

    PubMed Central

    Dominici, L.; Petrov, M.; Matuszewski, M.; Ballarini, D.; De Giorgi, M.; Colas, D.; Cancellieri, E.; Silva Fernández, B.; Bramati, A.; Gigli, G.; Kavokin, A.; Laussy, F.; Sanvitto, D.

    2015-01-01

    Microcavity polaritons are two-dimensional bosonic fluids with strong nonlinearities, composed of coupled photonic and electronic excitations. In their condensed form, they display quantum hydrodynamic features similar to atomic Bose–Einstein condensates, such as long-range coherence, superfluidity and quantized vorticity. Here we report the unique phenomenology that is observed when a pulse of light impacts the polariton vacuum: the fluid which is suddenly created does not splash but instead coheres into a very bright spot. The real-space collapse into a sharp peak is at odd with the repulsive interactions of polaritons and their positive mass, suggesting that an unconventional mechanism is at play. Our modelling devises a possible explanation in the self-trapping due to a local heating of the crystal lattice, that can be described as a collective polaron formed by a polariton condensate. These observations hint at the polariton fluid dynamics in conditions of extreme intensities and ultrafast times. PMID:26634817

  1. Real-space collapse of a polariton condensate.

    PubMed

    Dominici, L; Petrov, M; Matuszewski, M; Ballarini, D; De Giorgi, M; Colas, D; Cancellieri, E; Silva Fernández, B; Bramati, A; Gigli, G; Kavokin, A; Laussy, F; Sanvitto, D

    2015-01-01

    Microcavity polaritons are two-dimensional bosonic fluids with strong nonlinearities, composed of coupled photonic and electronic excitations. In their condensed form, they display quantum hydrodynamic features similar to atomic Bose-Einstein condensates, such as long-range coherence, superfluidity and quantized vorticity. Here we report the unique phenomenology that is observed when a pulse of light impacts the polariton vacuum: the fluid which is suddenly created does not splash but instead coheres into a very bright spot. The real-space collapse into a sharp peak is at odd with the repulsive interactions of polaritons and their positive mass, suggesting that an unconventional mechanism is at play. Our modelling devises a possible explanation in the self-trapping due to a local heating of the crystal lattice, that can be described as a collective polaron formed by a polariton condensate. These observations hint at the polariton fluid dynamics in conditions of extreme intensities and ultrafast times. PMID:26634817

  2. A brief comparison between grid based real space algorithms andspectrum algorithms for electronic structure calculations

    SciTech Connect

    Wang, Lin-Wang

    2006-12-01

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

  3. RESCU: A real space electronic structure method

    NASA Astrophysics Data System (ADS)

    Michaud-Rioux, Vincent; Zhang, Lei; Guo, Hong

    2016-02-01

    In this work we present RESCU, a powerful MATLAB-based Kohn-Sham density functional theory (KS-DFT) solver. We demonstrate that RESCU can compute the electronic structure properties of systems comprising many thousands of atoms using modest computer resources, e.g. 16 to 256 cores. Its computational efficiency is achieved from exploiting four routes. First, we use numerical atomic orbital (NAO) techniques to efficiently generate a good quality initial subspace which is crucially required by Chebyshev filtering methods. Second, we exploit the fact that only a subspace spanning the occupied Kohn-Sham states is required, and solving accurately the KS equation using eigensolvers can generally be avoided. Third, by judiciously analyzing and optimizing various parts of the procedure in RESCU, we delay the O (N3) scaling to large N, and our tests show that RESCU scales consistently as O (N2.3) from a few hundred atoms to more than 5000 atoms when using a real space grid discretization. The scaling is better or comparable in a NAO basis up to the 14,000 atoms level. Fourth, we exploit various numerical algorithms and, in particular, we introduce a partial Rayleigh-Ritz algorithm to achieve efficiency gains for systems comprising more than 10,000 electrons. We demonstrate the power of RESCU in solving KS-DFT problems using many examples running on 16, 64 and/or 256 cores: a 5832 Si atoms supercell; a 8788 Al atoms supercell; a 5324 Cu atoms supercell and a small DNA molecule submerged in 1713 water molecules for a total 5399 atoms. The KS-DFT is entirely converged in a few hours in all cases. Our results suggest that the RESCU method has reached a milestone of solving thousands of atoms by KS-DFT on a modest computer cluster.

  4. Collisionless high energy particle losses in optimized stellarators calculated in real-space coordinates

    SciTech Connect

    Nemov, V. V.; Kasilov, S. V.; Kernbichler, W.

    2014-06-15

    An approach for the direct computation of collisionless losses of high energy charged particles is developed for stellarator magnetic fields given in real space coordinates. With this approach, the corresponding computations can be performed for magnetic fields with three-dimensional inhomogeneities in the presence of stochastic regions as well as magnetic islands. A code, which is based on this approach, is applied to various stellarator configurations. It is found that the life time of fast particles obtained in real-space coordinates can be smaller than that obtained in magnetic coordinates.

  5. Real-space identification of intermolecular bonding with atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Qiu, Xiaohui

    2014-03-01

    A covalent bond is a chemical bond that involves the sharing of electron pairs between atoms, whose formation and breaking result in chemical reactions and the production of new substances. Distinct from the covalent bond, the intermolecular interactions are often a vague concept elusive in experimental observations. Nevertheless, intermolecular interactions virtually affect all physical and chemical properties of substances in the condensed phases. The interactions between molecules, particularly the hydrogen bond, are responsible for the structural transformations and functions of biological molecules. Because most of the molecular characterization techniques are more sensitive to the covalent structures of the molecules, it remains a challenge to quantitatively study the weak interactions between molecules despite the tremendous efforts toward this goal. Here we report a real-space identification of the formation of hydrogen bonding between molecules adsorbed on metal substrate using a non-contact atomic force microscope (nc-AFM). The atomically resolved molecular structures with unprecedented details enable a precise determination of the characteristics of the hydrogen bond network, including bonding sites, orientations and lengths. The observed bond contrast was interpreted by ab initio density functional calculations that indicate the electron density contribution from the hybridized electronic state of hydrogen bond. Given the extensively discussion on the nature of hydrogen bonding and the recent redefinition by IUPAC, the observation of hydrogen bonding in real-space may be a stimulating evidence for theoretical chemistry. Meanwhile, the direct identification of local bonding configurations by nc-AFM would advance the understanding of intermolecular interactions in complex molecules with multiple active sites, offering complementary structural information essential for various applications in materials and biological sciences.

  6. Colloidal Suspensions in Shear Flow : a Real Space Study

    NASA Astrophysics Data System (ADS)

    Derks, D.

    2006-09-01

    We investigate the effect of shear flow on the microstructure of colloidal suspensions by means of microscopy. Systems of nearly equally sized particles are used, whose interactions and phase behavior are predominantly determined by their size and shape, and can further be tuned by the addition of polymers. Recently, a new type of shear cell was developed to study flowing suspensions in real space. The key property of this setup is the counter-rotating principle of the cone and plate, opening up the possibility to create a stationary layer in the bulk of the cell. In Chapter 2, we elaborate on the details of this setup and its performance. Fluorescence confocal microscopy is used to visualize the sheared suspension, and allows imaging of individual particles in the bulk in the stationary plane for a prolonged time. This way, the particle positions in a layer of, for example, a sheared colloidal crystal can be tracked. The particle dynamics in colloidal crystals in shear flow are the subject of Chapter 3. Here, the particles interact through a (nearly) hard sphere potential. Apart from the alignment of the crystal in the shear field and the collective zigzag motion, which had also been deduced from early scattering experiments, we find that random particle displacements increase with shear rate. Those increased fluctuations result in shear induced melting when their mean square displacement has reached about 13 % of the particle separation. Apart from hard spheres, we investigate mixtures of colloids and polymers in shear flow. The polymers cause an effective attraction between the spheres, leading to phase separation into a colloid rich (polymer poor) and a colloid poor (polymer rich) phase at sufficiently high colloid and polymer concentration. In Chapter 4, we study the demixing process in the (spinodal) two-phase region of the phase diagram. The system is quenched from an initially almost homogeneous state at very high shear rate to a low shear rate. A spinodal

  7. Real Space DFT by Locally Optimal Block Preconditioned Conjugate Gradient Method

    NASA Astrophysics Data System (ADS)

    Michaud, Vincent; Guo, Hong

    2012-02-01

    Real space approaches solve the Kohn-Sham (KS) DFT problem as a system of partial differential equations (PDE) in real space numerical grids. In such techniques, the Hamiltonian matrix is typically much larger but sparser than the matrix arising in state-of-the-art DFT codes which are often based on directly minimizing the total energy functional. Evidence of good performance of real space methods - by Chebyshev filtered subspace iteration (CFSI) - was reported by Zhou, Saad, Tiago and Chelikowsky [1]. We found that the performance of the locally optimal block preconditioned conjugate gradient method (LOGPCG) introduced by Knyazev [2], when used in conjunction with CFSI, generally exceeds that of CFSI for solving the KS equations. We will present our implementation of the LOGPCG based real space electronic structure calculator. [4pt] [1] Y. Zhou, Y. Saad, M. L. Tiago, and J. R. Chelikowsky, ``Self-consistent-field calculations using Chebyshev-filtered subspace iteration,'' J. Comput. Phys., vol. 219,pp. 172-184, November 2006. [0pt] [2] A. V. Knyazev, ``Toward the optimal preconditioned eigensolver: Locally optimal block preconditioned conjugate gradient method,'' SIAM J. Sci. Comput, vol. 23, pp. 517-541, 2001.

  8. Direct observation and imaging of a spin-wave soliton with p-like symmetry

    DOE PAGESBeta

    Bonetti, S.; Kukreja, R.; Chen, Z.; Macià, F.; Hernàndez, J. M.; Eklund, A.; Backes, D.; Frisch, J.; Katine, J.; Malm, G.; et al

    2015-11-16

    Spin waves, the collective excitations of spins, can emerge as nonlinear solitons at the nanoscale when excited by an electrical current from a nanocontact. These solitons are expected to have essentially cylindrical symmetry (that is, s-like), but no direct experimental observation exists to confirm this picture. Using a high-sensitivity time-resolved magnetic X-ray microscopy with 50 ps temporal resolution and 35 nm spatial resolution, we are able to create a real-space spin-wave movie and observe the emergence of a localized soliton with a nodal line, that is, with p-like symmetry. Moreover, micromagnetic simulations explain the measurements and reveal that the symmetrymore » of the soliton can be controlled by magnetic fields. Our results broaden the understanding of spin-wave dynamics at the nanoscale, with implications for the design of magnetic nanodevices.« less

  9. Direct observation and imaging of a spin-wave soliton with p-like symmetry

    SciTech Connect

    Bonetti, S.; Kukreja, R.; Chen, Z.; Macià, F.; Hernàndez, J. M.; Eklund, A.; Backes, D.; Frisch, J.; Katine, J.; Malm, G.; Urazhdin, S.; Kent, A. D.; Stöhr, J.; Ohldag, H.; Dürr, H. A.

    2015-11-16

    Spin waves, the collective excitations of spins, can emerge as nonlinear solitons at the nanoscale when excited by an electrical current from a nanocontact. These solitons are expected to have essentially cylindrical symmetry (that is, s-like), but no direct experimental observation exists to confirm this picture. Using a high-sensitivity time-resolved magnetic X-ray microscopy with 50 ps temporal resolution and 35 nm spatial resolution, we are able to create a real-space spin-wave movie and observe the emergence of a localized soliton with a nodal line, that is, with p-like symmetry. Moreover, micromagnetic simulations explain the measurements and reveal that the symmetry of the soliton can be controlled by magnetic fields. Our results broaden the understanding of spin-wave dynamics at the nanoscale, with implications for the design of magnetic nanodevices.

  10. Direct observation and imaging of a spin-wave soliton with p-like symmetry

    PubMed Central

    Bonetti, S.; Kukreja, R.; Chen, Z.; Macià, F.; Hernàndez, J. M.; Eklund, A.; Backes, D.; Frisch, J.; Katine, J.; Malm, G.; Urazhdin, S.; Kent, A. D.; Stöhr, J.; Ohldag, H.; Dürr, H. A.

    2015-01-01

    Spin waves, the collective excitations of spins, can emerge as nonlinear solitons at the nanoscale when excited by an electrical current from a nanocontact. These solitons are expected to have essentially cylindrical symmetry (that is, s-like), but no direct experimental observation exists to confirm this picture. Using a high-sensitivity time-resolved magnetic X-ray microscopy with 50 ps temporal resolution and 35 nm spatial resolution, we are able to create a real-space spin-wave movie and observe the emergence of a localized soliton with a nodal line, that is, with p-like symmetry. Micromagnetic simulations explain the measurements and reveal that the symmetry of the soliton can be controlled by magnetic fields. Our results broaden the understanding of spin-wave dynamics at the nanoscale, with implications for the design of magnetic nanodevices. PMID:26567699

  11. Direct observation and imaging of a spin-wave soliton with p-like symmetry.

    PubMed

    Bonetti, S; Kukreja, R; Chen, Z; Macià, F; Hernàndez, J M; Eklund, A; Backes, D; Frisch, J; Katine, J; Malm, G; Urazhdin, S; Kent, A D; Stöhr, J; Ohldag, H; Dürr, H A

    2015-01-01

    Spin waves, the collective excitations of spins, can emerge as nonlinear solitons at the nanoscale when excited by an electrical current from a nanocontact. These solitons are expected to have essentially cylindrical symmetry (that is, s-like), but no direct experimental observation exists to confirm this picture. Using a high-sensitivity time-resolved magnetic X-ray microscopy with 50 ps temporal resolution and 35 nm spatial resolution, we are able to create a real-space spin-wave movie and observe the emergence of a localized soliton with a nodal line, that is, with p-like symmetry. Micromagnetic simulations explain the measurements and reveal that the symmetry of the soliton can be controlled by magnetic fields. Our results broaden the understanding of spin-wave dynamics at the nanoscale, with implications for the design of magnetic nanodevices. PMID:26567699

  12. Direct observation and imaging of a spin-wave soliton with p-like symmetry

    NASA Astrophysics Data System (ADS)

    Bonetti, S.; Kukreja, R.; Chen, Z.; Macià, F.; Hernàndez, J. M.; Eklund, A.; Backes, D.; Frisch, J.; Katine, J.; Malm, G.; Urazhdin, S.; Kent, A. D.; Stöhr, J.; Ohldag, H.; Dürr, H. A.

    2015-11-01

    Spin waves, the collective excitations of spins, can emerge as nonlinear solitons at the nanoscale when excited by an electrical current from a nanocontact. These solitons are expected to have essentially cylindrical symmetry (that is, s-like), but no direct experimental observation exists to confirm this picture. Using a high-sensitivity time-resolved magnetic X-ray microscopy with 50 ps temporal resolution and 35 nm spatial resolution, we are able to create a real-space spin-wave movie and observe the emergence of a localized soliton with a nodal line, that is, with p-like symmetry. Micromagnetic simulations explain the measurements and reveal that the symmetry of the soliton can be controlled by magnetic fields. Our results broaden the understanding of spin-wave dynamics at the nanoscale, with implications for the design of magnetic nanodevices.

  13. Direct observation of microbial adhesion to membranes.

    PubMed

    Wang, Sunny; Guillen, Greg; Hoek, Eric M V

    2005-09-01

    Direct microscopic observation and an interfacial force model were used to better understand and control microbial adhesion to polymeric ultrafiltration membranes. The model was used to predict a "critical flux", below which cells deposited reversibly, and direct observation was used to visually quantify cell deposition and removal. In preliminary direct observation experiments, permeate reversal (backpulsing) was more effective than cross-flow hydrodynamics at removing deposited cells. In experiments conducted below the critical flux, no cell accumulation was observed over repeated forward-reverse filtration cycles; however, a small fraction of cells deposited irreversibly regardless of the flux, membrane, or solution chemistry. The fraction of irreversibly deposited cells was consistent with the equilibrium surface coverage attained without permeation (i.e., due to heterogeneous adsorption). Although steric forces were not invoked to establish a critical flux, when operating above the critical flux, a balance between permeation drag and steric repulsion appeared to determine the strength of adhesion of cells to membranes. Direct observation also confirmed that above the critical flux fouling occurred and pressure losses accumulated over several backpulse cycles, whereas below the critical flux there were no observable pressure losses or fouling. PMID:16190200

  14. Local Analysis via the Real Space GREEN’S Function Method

    NASA Astrophysics Data System (ADS)

    Wu, Shi-Yu; Jayanthi, Chakram S.

    A complete account of the development of the method of real space Green’s function is given in this review. The emphasis is placed on the calculation of the local Green’s function in a real space representation. The discussion is centered on a list of issues particularly relevant to the study of properties of complex systems with reduced symmetry.They include: (i) the convergence procedure for calculating the local Green’s function of infinite systems without any boundary effects associated with an arbitrary truncation of the system; (ii) a general recursive relation which streamlines the calculation of the local Green’s function; (iii) the calculation of the eigenvector of selected eigenvalues directly from the Green’s function. An example of the application of the method to carry out a local analysis of dynamics of the Au(511) surface is also presented.

  15. Direct observation of time reversal violation

    NASA Astrophysics Data System (ADS)

    Bernabéu, J.

    2013-06-01

    A direct evidence for Time Reversal Violation (TRV) means an experiment that, considered by itself, clearly shows TRV independent of, and unconnected to, the results for CP Violation. No existing result before the recent BABAR experiment with entangled neutral B mesons had demonstrated TRV in this sense. There is a unique opportunity for a search of TRV with unstable particles thanks to the Einstein-Podolsky-Rosen (EPR) Entanglement between the two neutral mesons in B, and PHI, Factories. The two quantum effects of the first decay as a filtering measurement and the transfer of information to the still living partner allow performing a genuine TRV asymmetry with the exchange of "in" and "out" states. With four independent TRV asymmetries, BABAR observes a large deviation of T-invariance with a statistical significance of 14 standard deviations, far more than needed to declare the result as a discovery. This is the first direct observation of TRV in the time evolution of any system.

  16. EDITORIAL: From reciprocal space to real space in surface science From reciprocal space to real space in surface science

    NASA Astrophysics Data System (ADS)

    Bartels, Ludwig; Ernst, Karl-Heinz

    2012-09-01

    This issue is dedicated to Karl-Heinz Rieder on the occasion of his 70th birthday. It contains contributions written by his former students and colleagues from all over the world. Experimental techniques based on free electrons, such as photoelectron spectroscopy, electron microscopy and low energy electron diffraction (LEED), were foundational to surface science. While the first revealed the band structures of materials, the second provided nanometer scale imagery and the latter elucidated the atomic scale periodicity of surfaces. All required an (ultra-)high vacuum, and LEED illustrated impressively that adsorbates, such as carbon monoxide, hydrogen or oxygen, can markedly and periodically restructure surfaces from their bulk termination, even at pressures ten orders of magnitude or more below atmospheric. Yet these techniques were not generally able to reveal atomic scale surface defects, nor could they faithfully show adsorption of light atoms such as hydrogen. Although a complete atom, helium can also be regarded as a wave with a de Broglie wavelength that allows the study of surface atomic periodicities at a delicateness and sensitivity exceeding that of electrons-based techniques. In combination, these and other techniques generated insight into the periodicity of surfaces and their vibrational properties, yet were limited to simple and periodic surface setups. All that changed with the advent of scanning tunneling microscopy (STM) roughly 30 years ago, allowing real space access to surface defects and individual adsorbates. Applied at low temperatures, not only can STM establish a height profile of surfaces, but can also perform spectroscopy and serve as an actuator capable of rearranging individual species at atomic scale resolution. The direct and intuitive manner in which STM provided access as a spectator and as an actor to the atomic scale was foundational to today's surface science and to the development of the concepts of nanoscience in general. The

  17. Atomically resolved real-space imaging of hot electron dynamics

    PubMed Central

    Lock, D.; Rusimova, K. R.; Pan, T. L.; Palmer, R. E.; Sloan, P. A.

    2015-01-01

    The dynamics of hot electrons are central to understanding the properties of many electronic devices. But their ultra-short lifetime, typically 100 fs or less, and correspondingly short transport length-scale in the nanometre range constrain real-space investigations. Here we report variable temperature and voltage measurements of the nonlocal manipulation of adsorbed molecules on the Si(111)-7 × 7 surface in the scanning tunnelling microscope. The range of the nonlocal effect increases with temperature and, at constant temperature, is invariant over a wide range of electron energies. The measurements probe, in real space, the underlying hot electron dynamics on the 10 nm scale and are well described by a two-dimensional diffusive model with a single decay channel, consistent with 2-photon photo-emission (2PPE) measurements of the real time dynamics. PMID:26387703

  18. Atomically resolved real-space imaging of hot electron dynamics.

    PubMed

    Lock, D; Rusimova, K R; Pan, T L; Palmer, R E; Sloan, P A

    2015-01-01

    The dynamics of hot electrons are central to understanding the properties of many electronic devices. But their ultra-short lifetime, typically 100 fs or less, and correspondingly short transport length-scale in the nanometre range constrain real-space investigations. Here we report variable temperature and voltage measurements of the nonlocal manipulation of adsorbed molecules on the Si(111)-7 × 7 surface in the scanning tunnelling microscope. The range of the nonlocal effect increases with temperature and, at constant temperature, is invariant over a wide range of electron energies. The measurements probe, in real space, the underlying hot electron dynamics on the 10 nm scale and are well described by a two-dimensional diffusive model with a single decay channel, consistent with 2-photon photo-emission (2PPE) measurements of the real time dynamics. PMID:26387703

  19. Atomically resolved real-space imaging of hot electron dynamics

    NASA Astrophysics Data System (ADS)

    Lock, D.; Rusimova, K. R.; Pan, T. L.; Palmer, R. E.; Sloan, P. A.

    2015-09-01

    The dynamics of hot electrons are central to understanding the properties of many electronic devices. But their ultra-short lifetime, typically 100 fs or less, and correspondingly short transport length-scale in the nanometre range constrain real-space investigations. Here we report variable temperature and voltage measurements of the nonlocal manipulation of adsorbed molecules on the Si(111)-7 × 7 surface in the scanning tunnelling microscope. The range of the nonlocal effect increases with temperature and, at constant temperature, is invariant over a wide range of electron energies. The measurements probe, in real space, the underlying hot electron dynamics on the 10 nm scale and are well described by a two-dimensional diffusive model with a single decay channel, consistent with 2-photon photo-emission (2PPE) measurements of the real time dynamics.

  20. Real-space method for highly parallelizable electronic transport calculations

    NASA Astrophysics Data System (ADS)

    Feldman, Baruch; Seideman, Tamar; Hod, Oded; Kronik, Leeor

    2014-07-01

    We present a real-space method for first-principles nanoscale electronic transport calculations. We use the nonequilibrium Green's function method with density functional theory and implement absorbing boundary conditions (ABCs, also known as complex absorbing potentials, or CAPs) to represent the effects of the semi-infinite leads. In real space, the Kohn-Sham Hamiltonian matrix is highly sparse. As a result, the transport problem parallelizes naturally and can scale favorably with system size, enabling the computation of conductance in relatively large molecular junction models. Our use of ABCs circumvents the demanding task of explicitly calculating the leads' self-energies from surface Green's functions, and is expected to be more accurate than the use of the jellium approximation. In addition, we take advantage of the sparsity in real space to solve efficiently for the Green's function over the entire energy range relevant to low-bias transport. We illustrate the advantages of our method with calculations on several challenging test systems and find good agreement with reference calculation results.

  1. Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.

    PubMed

    Andrade, Xavier; Strubbe, David; De Giovannini, Umberto; Larsen, Ask Hjorth; Oliveira, Micael J T; Alberdi-Rodriguez, Joseba; Varas, Alejandro; Theophilou, Iris; Helbig, Nicole; Verstraete, Matthieu J; Stella, Lorenzo; Nogueira, Fernando; Aspuru-Guzik, Alán; Castro, Alberto; Marques, Miguel A L; Rubio, Angel

    2015-12-21

    Real-space grids are a powerful alternative for the simulation of electronic systems. One of the main advantages of the approach is the flexibility and simplicity of working directly in real space where the different fields are discretized on a grid, combined with competitive numerical performance and great potential for parallelization. These properties constitute a great advantage at the time of implementing and testing new physical models. Based on our experience with the Octopus code, in this article we discuss how the real-space approach has allowed for the recent development of new ideas for the simulation of electronic systems. Among these applications are approaches to calculate response properties, modeling of photoemission, optimal control of quantum systems, simulation of plasmonic systems, and the exact solution of the Schrödinger equation for low-dimensionality systems. PMID:25721500

  2. Direct observation limits on antimatter gravitation

    SciTech Connect

    Fischler, Mark; Lykken, Joe; Roberts, Tom; /Fermilab

    2008-06-01

    The proposed Antihydrogen Gravity experiment at Fermilab (P981) will directly measure the gravitational attraction g between antihydrogen and the Earth, with an accuracy of 1% or better. The following key question has been asked by the PAC: Is a possible 1% difference between g and g already ruled out by other evidence? This memo presents the key points of existing evidence, to answer whether such a difference is ruled out (a) on the basis of direct observational evidence; and/or (b) on the basis of indirect evidence, combined with reasoning based on strongly held theoretical assumptions. The bottom line is that there are no direct observations or measurements of gravitational asymmetry which address the antimatter sector. There is evidence which by indirect reasoning can be taken to rule out such a difference, but the analysis needed to draw that conclusion rests on models and assumptions which are in question for other reasons and are thus worth testing. There is no compelling evidence or theoretical reason to rule out such a difference at the 1% level.

  3. Directly observed therapy for treating tuberculosis

    PubMed Central

    Karumbi, Jamlick; Garner, Paul

    2015-01-01

    Background Tuberculosis (TB) requires at least six months of treatment. If treatment is incomplete, patients may not be cured and drug resistance may develop. Directly Observed Therapy (DOT) is a specific strategy, endorsed by the World Health Organization, to improve adherence by requiring health workers, community volunteers or family members to observe and record patients taking each dose. Objectives To evaluate DOT compared to self-administered therapy in people on treatment for active TB or on prophylaxis to prevent active disease. We also compared the effects of different forms of DOT. Search methods We searched the following databases up to 13 January 2015: the Cochrane Infectious Diseases Group Specialized Register; the Cochrane Central Register of Controlled Trials (CENTRAL), published in the Cochrane Library; MEDLINE; EMBASE; LILACS and mRCT. We also checked article reference lists and contacted relevant researchers and organizations. Selection criteria Randomized controlled trials (RCTs) and quasi-RCTs comparing DOT with routine self-administration of treatment or prophylaxis at home. Data collection and analysis Two review authors independently assessed risk of bias of each included trial and extracted data. We compared interventions using risk ratios (RR) with 95% confidence intervals (CI). We used a random-effects model if meta-analysis was appropriate but heterogeneity present (I2 statistic = 50%). We assessed the quality of the evidence using the GRADE approach. Main results Eleven trials including 5662 participants met the inclusion criteria. DOT was performed by a range of people (nurses, community health workers, family members or former TB patients) in a variety of settings (clinic, the patient's home or the home of a community volunteer). DOT versus self-administered Six trials from South Africa, Thailand, Taiwan, Pakistan and Australia compared DOT with self-administered therapy for treatment. Trials included DOT at home by family members

  4. Direct observation of laser guided corona discharges

    NASA Astrophysics Data System (ADS)

    Wang, Tie-Jun; Wei, Yingxia; Liu, Yaoxiang; Chen, Na; Liu, Yonghong; Ju, Jingjing; Sun, Haiyi; Wang, Cheng; Lu, Haihe; Liu, Jiansheng; Chin, See Leang; Li, Ruxin; Xu, Zhizhan

    2015-12-01

    Laser based lightning control holds a promising way to solve the problem of the long standing disaster of lightning strikes. But it is a challenging project due to insufficient understanding of the interaction between laser plasma channel and high voltage electric filed. In this work, a direct observation of laser guided corona discharge is reported. Laser filament guided streamer and leader types of corona discharges were observed. An enhanced ionization took place in the leader (filament) through the interaction with the high voltage discharging field. The fluorescence lifetime of laser filament guided corona discharge was measured to be several microseconds, which is 3 orders of magnitude longer than the fluorescence lifetime of laser filaments. This work could be advantageous towards a better understanding of laser assisted leader development in the atmosphere.

  5. Direct observation of laser guided corona discharges

    PubMed Central

    Wang, Tie-Jun; Wei, Yingxia; Liu, Yaoxiang; Chen, Na; Liu, Yonghong; Ju, Jingjing; Sun, Haiyi; Wang, Cheng; Lu, Haihe; Liu, Jiansheng; Chin, See Leang; Li, Ruxin; Xu, Zhizhan

    2015-01-01

    Laser based lightning control holds a promising way to solve the problem of the long standing disaster of lightning strikes. But it is a challenging project due to insufficient understanding of the interaction between laser plasma channel and high voltage electric filed. In this work, a direct observation of laser guided corona discharge is reported. Laser filament guided streamer and leader types of corona discharges were observed. An enhanced ionization took place in the leader (filament) through the interaction with the high voltage discharging field. The fluorescence lifetime of laser filament guided corona discharge was measured to be several microseconds, which is 3 orders of magnitude longer than the fluorescence lifetime of laser filaments. This work could be advantageous towards a better understanding of laser assisted leader development in the atmosphere. PMID:26679271

  6. Direct observation of laser guided corona discharges.

    PubMed

    Wang, Tie-Jun; Wei, Yingxia; Liu, Yaoxiang; Chen, Na; Liu, Yonghong; Ju, Jingjing; Sun, Haiyi; Wang, Cheng; Lu, Haihe; Liu, Jiansheng; Chin, See Leang; Li, Ruxin; Xu, Zhizhan

    2015-01-01

    Laser based lightning control holds a promising way to solve the problem of the long standing disaster of lightning strikes. But it is a challenging project due to insufficient understanding of the interaction between laser plasma channel and high voltage electric filed. In this work, a direct observation of laser guided corona discharge is reported. Laser filament guided streamer and leader types of corona discharges were observed. An enhanced ionization took place in the leader (filament) through the interaction with the high voltage discharging field. The fluorescence lifetime of laser filament guided corona discharge was measured to be several microseconds, which is 3 orders of magnitude longer than the fluorescence lifetime of laser filaments. This work could be advantageous towards a better understanding of laser assisted leader development in the atmosphere. PMID:26679271

  7. First direct observation of muon antineutrino disappearance

    DOE PAGESBeta

    Adamson, P.

    2011-07-05

    This letter reports the first direct observation of muon antineutrino disappearance. The MINOS experiment has taken data with an accelerator beam optimized for ν¯μ production, accumulating an exposure of 1.71 x 1020 protons on target. In the Far Detector, 97 charged current ν¯μ events are observed. The no-oscillation hypothesis predicts 156 events and is excluded at 6.3σ. The best fit to oscillation yields |Δm¯2| = (3.36-0.40 +0.46(stat.) ± 0.06(syst.)) x 10-3 eV2, sin2(2 θ¯) = 0.86-0.12+0.11 (stat.) ± 0.01(syst.). The MINOS νμ and ν¯μ measurements are consistent at the 2.0% confidence level, assuming identical underlying oscillation parameters.

  8. Direct Observation of Sub-Binomial Light

    NASA Astrophysics Data System (ADS)

    Bartley, Tim J.; Donati, Gaia; Jin, Xian-Min; Datta, Animesh; Barbieri, Marco; Walmsley, Ian A.

    2013-04-01

    Nonclassical states of light are necessary resources for quantum technologies such as cryptography, computation and the definition of metrological standards. Observing signatures of nonclassicality generally requires inferring either the photon number distribution or a quasiprobability distribution indirectly from a set of measurements. Here, we report an experiment in which the nonclassical character of families of quantum states is assessed by direct inspection of the outcomes from a multiplexed photon counter. This scheme does not register the actual photon number distribution; the statistics of the detector clicks alone serve as a witness of nonclassicality, as proposed by Sperling et al. [Phys. Rev. Lett. 109, 093601 (2012)]. Our work paves a way for the practical characterization of increasingly sophisticated states and detectors.

  9. Spectral differences in real-space electronic structure calculations

    NASA Astrophysics Data System (ADS)

    Jordan, D. K.; Mazziotti, D. A.

    2004-01-01

    Real-space grids for electronic structure calculations are efficient because the potential is diagonal while the second derivative in the kinetic energy may be sparsely evaluated with finite differences or finite elements. In applications to vibrational problems in chemical physics a family of methods known as spectral differences has improved finite differences by several orders of magnitude. In this paper the use of spectral differences for electronic structure is studied. Spectral differences are implemented in two electronic structure programs PARSEC and HARES which currently employ finite differences. Applications to silicon clusters and lattices indicate that spectral differences achieve the same accuracy as finite differences with less computational work.

  10. Probing the shape of atoms in real space

    NASA Astrophysics Data System (ADS)

    Herz, M.; Giessibl, F. J.; Mannhart, J.

    2003-07-01

    The structure of single atoms in real space is investigated by scanning tunneling microscopy. Very high resolution can be obtained by a dramatic reduction of the tip-sample distance. The instabilities which are normally encountered while using small tip-sample distances are avoided by oscillating the tip of the scanning tunneling microscope vertically with respect to the sample. The surface atoms of Si(111)-(7×7) with their well-known electronic configuration are used to image individual samarium, cobalt, iron, and silicon atoms. The resulting images resemble the charge density corresponding to 4f, 3d, and 3p atomic orbitals.

  11. Reconstructing interaction potentials in thin films from real-space images

    NASA Astrophysics Data System (ADS)

    Gienger, Jonas; Severin, Nikolai; Rabe, Jürgen P.; Sokolov, Igor M.

    2016-04-01

    We demonstrate that an inverse Monte Carlo approach allows one to reconstruct effective interaction potentials from real-space images. The method is exemplified on monomolecular ethanol-water films imaged with scanning force microscopy, which provides the spatial distribution of the molecules. Direct Monte Carlo simulations with the reconstructed potential allow for obtaining characteristics of the system which are unavailable in the experiment, such as the heat capacity of the monomolecularly thin film, and for a prediction of the critical temperature of the demixing transition.

  12. EDITORIAL: From reciprocal space to real space in surface science From reciprocal space to real space in surface science

    NASA Astrophysics Data System (ADS)

    Bartels, Ludwig; Ernst, Karl-Heinz

    2012-09-01

    This issue is dedicated to Karl-Heinz Rieder on the occasion of his 70th birthday. It contains contributions written by his former students and colleagues from all over the world. Experimental techniques based on free electrons, such as photoelectron spectroscopy, electron microscopy and low energy electron diffraction (LEED), were foundational to surface science. While the first revealed the band structures of materials, the second provided nanometer scale imagery and the latter elucidated the atomic scale periodicity of surfaces. All required an (ultra-)high vacuum, and LEED illustrated impressively that adsorbates, such as carbon monoxide, hydrogen or oxygen, can markedly and periodically restructure surfaces from their bulk termination, even at pressures ten orders of magnitude or more below atmospheric. Yet these techniques were not generally able to reveal atomic scale surface defects, nor could they faithfully show adsorption of light atoms such as hydrogen. Although a complete atom, helium can also be regarded as a wave with a de Broglie wavelength that allows the study of surface atomic periodicities at a delicateness and sensitivity exceeding that of electrons-based techniques. In combination, these and other techniques generated insight into the periodicity of surfaces and their vibrational properties, yet were limited to simple and periodic surface setups. All that changed with the advent of scanning tunneling microscopy (STM) roughly 30 years ago, allowing real space access to surface defects and individual adsorbates. Applied at low temperatures, not only can STM establish a height profile of surfaces, but can also perform spectroscopy and serve as an actuator capable of rearranging individual species at atomic scale resolution. The direct and intuitive manner in which STM provided access as a spectator and as an actor to the atomic scale was foundational to today's surface science and to the development of the concepts of nanoscience in general. The

  13. WMAP haze: Directly observing dark matter?

    SciTech Connect

    Forbes, Michael McNeil; Zhitnitsky, Ariel R.

    2008-10-15

    In this paper, we show that dark matter in the form of dense matter/antimatter nuggets could provide a natural and unified explanation for several distinct bands of diffuse radiation from the core of the Galaxy spanning over 13 orders of magnitude in frequency. We fix all of the phenomenological properties of this model by matching to x-ray observations in the keV band, and then calculate the unambiguously predicted thermal emission in the microwave band, at frequencies smaller by 11 orders of magnitude. Remarkably, the intensity and spectrum of the emitted thermal radiation are consistent with - and could entirely explain - the so-called 'WMAP haze': a diffuse microwave excess observed from the core of our Galaxy by the Wilkinson Microwave Anisotropy Probe (WMAP). This provides another strong constraint of our proposal, and a remarkable nontrivial validation. If correct, our proposal identifies the nature of the dark matter, explains baryogenesis, and provides a means to directly probe the matter distribution in our Galaxy by analyzing several different types of diffuse emissions.

  14. First direct observation of muon antineutrino disappearance

    SciTech Connect

    Adamson, P.

    2011-07-05

    This letter reports the first direct observation of muon antineutrino disappearance. The MINOS experiment has taken data with an accelerator beam optimized for ν¯μ production, accumulating an exposure of 1.71 x 1020 protons on target. In the Far Detector, 97 charged current ν¯μ events are observed. The no-oscillation hypothesis predicts 156 events and is excluded at 6.3σ. The best fit to oscillation yields |Δm¯2| = (3.36-0.40 +0.46(stat.) ± 0.06(syst.)) x 10-3 eV2, sin2(2 θ¯) = 0.86-0.12+0.11 (stat.) ± 0.01(syst.). The MINOS νμ and ν¯μ measurements are consistent at the 2.0% confidence level, assuming identical underlying oscillation parameters.

  15. Real space electrostatics for multipoles. I. Development of methods

    NASA Astrophysics Data System (ADS)

    Lamichhane, Madan; Gezelter, J. Daniel; Newman, Kathie E.

    2014-10-01

    We have extended the original damped-shifted force (DSF) electrostatic kernel and have been able to derive three new electrostatic potentials for higher-order multipoles that are based on truncated Taylor expansions around the cutoff radius. These include a shifted potential (SP) that generalizes the Wolf method for point multipoles, and Taylor-shifted force (TSF) and gradient-shifted force (GSF) potentials that are both generalizations of DSF electrostatics for multipoles. We find that each of the distinct orientational contributions requires a separate radial function to ensure that pairwise energies, forces, and torques all vanish at the cutoff radius. In this paper, we present energy, force, and torque expressions for the new models, and compare these real-space interaction models to exact results for ordered arrays of multipoles. We find that the GSF and SP methods converge rapidly to the correct lattice energies for ordered dipolar and quadrupolar arrays, while the TSF is too severe an approximation to provide accurate convergence to lattice energies. Because real-space methods can be made to scale linearly with system size, SP and GSF are attractive options for large Monte Carlo and molecular dynamics simulations, respectively.

  16. Real space electrostatics for multipoles. I. Development of methods.

    PubMed

    Lamichhane, Madan; Gezelter, J Daniel; Newman, Kathie E

    2014-10-01

    We have extended the original damped-shifted force (DSF) electrostatic kernel and have been able to derive three new electrostatic potentials for higher-order multipoles that are based on truncated Taylor expansions around the cutoff radius. These include a shifted potential (SP) that generalizes the Wolf method for point multipoles, and Taylor-shifted force (TSF) and gradient-shifted force (GSF) potentials that are both generalizations of DSF electrostatics for multipoles. We find that each of the distinct orientational contributions requires a separate radial function to ensure that pairwise energies, forces, and torques all vanish at the cutoff radius. In this paper, we present energy, force, and torque expressions for the new models, and compare these real-space interaction models to exact results for ordered arrays of multipoles. We find that the GSF and SP methods converge rapidly to the correct lattice energies for ordered dipolar and quadrupolar arrays, while the TSF is too severe an approximation to provide accurate convergence to lattice energies. Because real-space methods can be made to scale linearly with system size, SP and GSF are attractive options for large Monte Carlo and molecular dynamics simulations, respectively. PMID:25296786

  17. Study on the mapping of dark matter clustering from real space to redshift space

    NASA Astrophysics Data System (ADS)

    Zheng, Yi; Song, Yong-Seon

    2016-08-01

    The mapping of dark matter clustering from real space to redshift space introduces the anisotropic property to the measured density power spectrum in redshift space, known as the redshift space distortion effect. The mapping formula is intrinsically non-linear, which is complicated by the higher order polynomials due to indefinite cross correlations between the density and velocity fields, and the Finger-of-God effect due to the randomness of the peculiar velocity field. Whilst the full higher order polynomials remain unknown, the other systematics can be controlled consistently within the same order truncation in the expansion of the mapping formula, as shown in this paper. The systematic due to the unknown non-linear density and velocity fields is removed by separately measuring all terms in the expansion directly using simulations. The uncertainty caused by the velocity randomness is controlled by splitting the FoG term into two pieces, 1) the ``one-point" FoG term being independent of the separation vector between two different points, and 2) the ``correlated" FoG term appearing as an indefinite polynomials which is expanded in the same order as all other perturbative polynomials. Using 100 realizations of simulations, we find that the Gaussian FoG function with only one scale-independent free parameter works quite well, and that our new mapping formulation accurately reproduces the observed 2-dimensional density power spectrum in redshift space at the smallest scales by far, up to k~ 0.2 Mpc‑1, considering the resolution of future experiments.

  18. Bias deconstructed: unravelling the scale dependence of halo bias using real-space measurements

    NASA Astrophysics Data System (ADS)

    Paranjape, Aseem; Sefusatti, Emiliano; Chan, Kwan Chuen; Desjacques, Vincent; Monaco, Pierluigi; Sheth, Ravi K.

    2013-11-01

    We explore the scale dependence of halo bias using real-space cross-correlation measurements in N-body simulations and in PINOCCHIO, an algorithm based on Lagrangian Perturbation Theory. Recent work has shown how to interpret such real-space measurements in terms of k-dependent bias in Fourier space, and how to remove the k-dependence to reconstruct the k-independent peak-background split halo bias parameters. We compare our reconstruction of the linear bias, which requires no free parameters, with previous estimates from N-body simulations which were obtained directly in Fourier space at large scales, and find very good agreement. Our reconstruction of the quadratic bias is similarly parameter-free, although in this case there are no previous Fourier space measurements to compare with. Our analysis of N-body simulations explicitly tests the predictions of the excursion set peaks (ESP) formalism of Paranjape et al. for the scale dependence of bias; we find that the ESP predictions accurately describe our measurements. In addition, our measurements in PINOCCHIO serve as a useful, successful consistency check between PINOCCHIO and N-body simulations that is not accessible to traditional measurements.

  19. ATLAS: A real-space finite-difference implementation of orbital-free density functional theory

    NASA Astrophysics Data System (ADS)

    Mi, Wenhui; Shao, Xuecheng; Su, Chuanxun; Zhou, Yuanyuan; Zhang, Shoutao; Li, Quan; Wang, Hui; Zhang, Lijun; Miao, Maosheng; Wang, Yanchao; Ma, Yanming

    2016-03-01

    Orbital-free density functional theory (OF-DFT) is a promising method for large-scale quantum mechanics simulation as it provides a good balance of accuracy and computational cost. Its applicability to large-scale simulations has been aided by progress in constructing kinetic energy functionals and local pseudopotentials. However, the widespread adoption of OF-DFT requires further improvement in its efficiency and robustly implemented software. Here we develop a real-space finite-difference (FD) method for the numerical solution of OF-DFT in periodic systems. Instead of the traditional self-consistent method, a powerful scheme for energy minimization is introduced to solve the Euler-Lagrange equation. Our approach engages both the real-space finite-difference method and a direct energy-minimization scheme for the OF-DFT calculations. The method is coded into the ATLAS software package and benchmarked using periodic systems of solid Mg, Al, and Al3Mg. The test results show that our implementation can achieve high accuracy, efficiency, and numerical stability for large-scale simulations.

  20. Direct Observation of Spin- and Charge-Density Waves in a Luttinger Liquid

    NASA Astrophysics Data System (ADS)

    Cao, Chenglin; Marcum, Andrew; Mawardi Ismail, Arif; Fonta, Francisco; O'Hara, Kenneth

    2016-05-01

    At low energy, interacting fermions in one dimension (e.g. electrons in quantum wires or fermionic atoms in 1D waveguides) should behave as Luttinger liquids. In stark contrast to Fermi liquids, the low-energy elementary excitations in Luttinger liquids are collective sound-like modes that propagate independently as spin-density and/or charge-density (i.e. particle-density) waves with generally unequal, and interaction-dependent, velocities. Here we aim to unambiguously confirm this hallmark feature of the Luttinger liquid - the phenomenon of spin-charge separation - by directly observing in real space the dynamics of spin-density and ``charge''-density waves excited in an ultracold gas of spin-1/2 fermions confined in an array of 1D optical waveguides. Starting from a two-component mixture of 6 Li atoms harmonically confined along each of the 1D waveguides, we excite low lying normal modes of the trapped system - namely the spin dipole and density dipole and quadrupole modes - and measure their frequency as a function of interaction strength. Luttinger liquid theory predicts that the spin dipole frequency is strongly dependent on interaction strength whereas the density dipole and quadrupole mode frequencies are relatively insensitive. We will also discuss extending our approach to exciting localized spin density and particle density wavepackets which should propagate at different velocities. Supported by AFOSR and NSF.

  1. 46 CFR 148.03-3 - Direction and observation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Direction and observation. 148.03-3 Section 148.03-3... HAZARDOUS MATERIALS IN BULK Minimum Transportation Requirements § 148.03-3 Direction and observation... be conducted only under the direction and observation of a person assigned or employed for such...

  2. Direct Observation of Paramagnons in Palladium

    SciTech Connect

    Doubble, R.; Hayden, S M.; Dai, Pengcheng; Mook Jr, Herbert A; Thompson, James R; Frost, C.

    2010-01-01

    We report an inelastic neutron scattering study of the spin fluctuations in the nearly ferromagnetic element palladium. Dispersive over-damped collective magnetic excitations or 'paramagnons' are observed up to 128 meV. We analyze our results in terms of a Moriya-Lonzarich-type spin-fluctuation model and estimate the contribution of the spin fluctuations to the low-temperature heat capacity. In spite of the paramagnon excitations being relatively strong, their relaxation rates are large. This leads to a small contribution to the low-temperature electronic specific heat.

  3. Direct observation of ballistic Andreev reflection

    SciTech Connect

    Klapwijk, T. M.; Ryabchun, S. A.

    2014-12-15

    An overview is presented of experiments on ballistic electrical transport in inhomogeneous superconducting systems which are controlled by the process of Andreev reflection. The initial experiments based on the coexistence of a normal phase and a superconducting phase in the intermediate state led to the concept itself. It was followed by a focus on geometrically inhomogeneous systems like point contacts, which provided a very clear manifestation of the energy and direction dependence of the Andreev reflection process. The point contacts have recently evolved towards the atomic scale owing to the use of mechanical break-junctions, revealing a very detailed dependence of Andreev reflection on the macroscopic phase of the superconducting state. In present-day research, the superconducting in homogeneity is constructed by clean room technology and combines superconducting materials, for example, with low-dimensional materials and topological insulators. Alternatively, the superconductor is combined with nano-objects, such as graphene, carbon nanotubes, or semiconducting nanowires. Each of these “inhomogeneous systems” provides a very interesting range of properties, all rooted in some manifestation of Andreev reflection.

  4. Probing Real-Space and Time-Resolved Correlation Functions with Many-Body Ramsey Interferometry

    NASA Astrophysics Data System (ADS)

    Knap, Michael; Kantian, Adrian; Giamarchi, Thierry; Bloch, Immanuel; Lukin, Mikhail D.; Demler, Eugene

    2013-10-01

    We propose to use Ramsey interferometry and single-site addressability, available in synthetic matter such as cold atoms or trapped ions, to measure real-space and time-resolved spin correlation functions. These correlation functions directly probe the excitations of the system, which makes it possible to characterize the underlying many-body states. Moreover, they contain valuable information about phase transitions where they exhibit scale invariance. We also discuss experimental imperfections and show that a spin-echo protocol can be used to cancel slow fluctuations in the magnetic field. We explicitly consider examples of the two-dimensional, antiferromagnetic Heisenberg model and the one-dimensional, long-range transverse field Ising model to illustrate the technique.

  5. Simulation of Latex Film Formation Using a Cell Model in Real Space: Vertical Drying.

    PubMed

    Gromer, A; Nassar, M; Thalmann, F; Hébraud, P; Holl, Y

    2015-10-13

    This paper presents a simulation tool applied to latex film formation by drying, a hybrid between a classical numerical resolution method using finite differences and cellular automata, and making use of object-oriented programming. It consists of dividing real space into cells and applying local physical laws to simulate the exchange of matter between neighboring cells. In a first step, the simulation was applied to the simple case of vertical drying of a latex containing only one population of monodisperse particles and water. Our results show how the distribution of latex particles evolves through the different drying stages due to a combination of diffusion, convection, and particle deformation. While repulsive interactions between the particles tend to favor homogeneous distributions in the first drying stage, concentration gradients that develop in opposite ways can be observed depending on the drying regime. The distributions, calculated in various cases, reproduce and extend several theoretical results and are in qualitative agreement with some experimental findings. PMID:26378376

  6. Real-space Eliashberg approach to charge order of electrons coupled to dynamic antiferromagnetic fluctuations

    NASA Astrophysics Data System (ADS)

    Bauer, Johannes; Sachdev, Subir

    2015-08-01

    We study charge-ordered solutions for fermions on a square lattice interacting with dynamic antiferromagnetic fluctuations. Our approach is based on real-space Eliashberg equations, which are solved self-consistently. We first show that the antiferromagnetic fluctuations can induce arc features in the spectral functions, as spectral weight is suppressed at the hot spots; however, no real pseudogap is generated. At low temperature, spontaneous charge order with a d -form factor can be stabilized for certain parameters. As long as the interacting Fermi surfaces possess hot spots, the ordering wave vector corresponds to the diagonal connection of the hot spots, similar to the non-self-consistent case. Tendencies towards observed axial order only appear in situations without hot spots.

  7. Keeping it real: revisiting a real-space approach to running ensembles of cosmological N-body simulations

    SciTech Connect

    Orban, Chris

    2013-05-01

    In setting up initial conditions for ensembles of cosmological N-body simulations there are, fundamentally, two choices: either maximizing the correspondence of the initial density field to the assumed fourier-space clustering or, instead, matching to real-space statistics and allowing the DC mode (i.e. overdensity) to vary from box to box as it would in the real universe. As a stringent test of both approaches, I perform ensembles of simulations using power law and a ''powerlaw times a bump'' model inspired by baryon acoustic oscillations (BAO), exploiting the self-similarity of these initial conditions to quantify the accuracy of the matter-matter two-point correlation results. The real-space method, which was originally proposed by Pen 1997 [1] and implemented by Sirko 2005 [2], performed well in producing the expected self-similar behavior and corroborated the non-linear evolution of the BAO feature observed in conventional simulations, even in the strongly-clustered regime (σ{sub 8}∼>1). In revisiting the real-space method championed by [2], it was also noticed that this earlier study overlooked an important integral constraint correction to the correlation function in results from the conventional approach that can be important in ΛCDM simulations with L{sub box}∼<1 h{sup −1}Gpc and on scales r∼>L{sub box}/10. Rectifying this issue shows that the fourier space and real space methods are about equally accurate and efficient for modeling the evolution and growth of the correlation function, contrary to previous claims. An appendix provides a useful independent-of-epoch analytic formula for estimating the importance of the integral constraint bias on correlation function measurements in ΛCDM simulations.

  8. Direct observation of electron propagation and dielectric screening on the atomic length scale.

    PubMed

    Neppl, S; Ernstorfer, R; Cavalieri, A L; Lemell, C; Wachter, G; Magerl, E; Bothschafter, E M; Jobst, M; Hofstetter, M; Kleineberg, U; Barth, J V; Menzel, D; Burgdörfer, J; Feulner, P; Krausz, F; Kienberger, R

    2015-01-15

    The propagation and transport of electrons in crystals is a fundamental process pertaining to the functioning of most electronic devices. Microscopic theories describe this phenomenon as being based on the motion of Bloch wave packets. These wave packets are superpositions of individual Bloch states with the group velocity determined by the dispersion of the electronic band structure near the central wavevector in momentum space. This concept has been verified experimentally in artificial superlattices by the observation of Bloch oscillations--periodic oscillations of electrons in real and momentum space. Here we present a direct observation of electron wave packet motion in a real-space and real-time experiment, on length and time scales shorter than the Bloch oscillation amplitude and period. We show that attosecond metrology (1 as = 10(-18) seconds) now enables quantitative insight into weakly disturbed electron wave packet propagation on the atomic length scale without being hampered by scattering effects, which inevitably occur over macroscopic propagation length scales. We use sub-femtosecond (less than 10(-15) seconds) extreme-ultraviolet light pulses to launch photoelectron wave packets inside a tungsten crystal that is covered by magnesium films of varied, well-defined thicknesses of a few ångströms. Probing the moment of arrival of the wave packets at the surface with attosecond precision reveals free-electron-like, ballistic propagation behaviour inside the magnesium adlayer--constituting the semi-classical limit of Bloch wave packet motion. Real-time access to electron transport through atomic layers and interfaces promises unprecedented insight into phenomena that may enable the scaling of electronic and photonic circuits to atomic dimensions. In addition, this experiment allows us to determine the penetration depth of electrical fields at optical frequencies at solid interfaces on the atomic scale. PMID:25592539

  9. Real Space Imaging of Spin Polarons in Zn-Doped SrCu2(BO3)2

    NASA Astrophysics Data System (ADS)

    Yoshida, M.; Kobayashi, H.; Yamauchi, I.; Takigawa, M.; Capponi, S.; Poilblanc, D.; Mila, F.; Kudo, K.; Koike, Y.; Kobayashi, N.

    2015-02-01

    We report on the real space profile of spin polarons in the quasi-two-dimensional frustrated dimer spin system SrCu2(BO3)2 doped with 0.16% of Zn. The 11B nuclear magnetic resonance spectrum exhibits 15 additional boron sites near nonmagnetic Zn impurities. With the help of exact diagonalizations of finite clusters, we have deduced from the boron spectrum, the distribution of local magnetizations at the Cu sites with fine spatial resolution, providing direct evidence for an extended spin polaron. The results are confronted with those of other experiments performed on doped and undoped samples of SrCu2(BO3)2.

  10. Real-space representation of electron correlation in π-conjugated systems

    SciTech Connect

    Wang, Jian E-mail: e.j.baerends@vu.nl; Baerends, Evert Jan E-mail: e.j.baerends@vu.nl

    2015-05-28

    π-electron conjugation and aromaticity are commonly associated with delocalization and especially high mobility of the π electrons. We investigate if also the electron correlation (pair density) exhibits signatures of the special electronic structure of conjugated systems. To that end the shape and extent of the pair density and derived quantities (exchange-correlation hole, Coulomb hole, and conditional density) are investigated for the prototype systems ethylene, hexatriene, and benzene. The answer is that the effects of π electron conjugation are hardly discernible in the real space representations of the electron correlation. We find the xc hole to be as localized (confined to atomic or diatomic regions) in conjugated systems as in small molecules. This result is relevant for density functional theory (DFT). The potential of the electron exchange-correlation hole is the largest part of v{sub xc}, the exchange-correlation Kohn-Sham potential. So the extent of the hole directly affects the orbital energies of both occupied and unoccupied Kohn-Sham orbitals and therefore has direct relevance for the excitation spectrum as calculated with time-dependent DFT calculations. The potential of the localized xc hole is comparatively more attractive than the actual hole left behind by an electron excited from a delocalized molecular orbital of a conjugated system.

  11. Statistical analysis of granular gases, pattern formation, and crumpling through real space imaging

    NASA Astrophysics Data System (ADS)

    Blair, Daniel L.

    The statistical properties of driven dissipative systems is investigated experimentally with the use of high speed, and high resolution imaging. A variety of experiments that range from idealized granular gases to systems with anisotropic interactions and pattern formation is explored. These experiments can be divided into three classes: granular gases, granular fluids with anisotropic interactions, and pattern formation. The statistical properties of spherical particles that are excited into a dilute gas state are investigated. The particles are constrained to roll on an inclined plane, which reduces the effects of gravity, allowing real space particle tracking with high precision. Energy is given to the particles through a single vibrating boundary. If the driving is at a high frequency and amplitude, the particles resemble molecules of equilibrium liquids or gases. I will demonstrate that a number of fundamental statistical measures of equilibrium fluids, such as distribution of velocities and path lengths are not consistent with those of inelastic gases. However, the particle motion remains diffusive and the velocity autocorrelation functions decays exponentially. Recent theoretical approaches to granular hydrodynamics also are discussed. In the case where the driving frequency and amplitude are sufficiently low, the particles undergo a spontaneous transition from a quiescent to patterned state. The patterns formed are similar to those found in three-dimensional granular fluids. By introducing a temporally dependent measure of the spatial correlation of the velocities, an accurate determination of the wavelength and onset of patterns is determined. The phase averaged temperature is measured to show that patterns arise when the temperature of the layer is at minimum. These results could be used to develop a linear stability analysis of granular fluids. A quasi-two-dimensional granular system of particles with embedded dipole moments is investigated, and it is

  12. Direct Observational Assessment during Test Sessions and Child Clinical Interviews

    ERIC Educational Resources Information Center

    McConaughy, Stephanie H.

    2005-01-01

    Test sessions and child clinical interviews offer opportunities for direct observations of children's behavior in controlled settings. Moreover, standardized instruments for test session and interview observations offer more reliable and valid assessment methods than do anecdotal reports. This article reviews characteristics and psychometric…

  13. Evaluation of Handheld Computers for Direct Systematic Classroom Observation

    ERIC Educational Resources Information Center

    Bahr, Michael W.; Gouwens, Donald A.; Schuh, Genevieve

    2012-01-01

    Through this study the authors evaluate outcomes associated with the use of handheld computers by interventionists in improving the efficiency of direct systematic classroom observation. Information from observations is used by interventionists for treatment planning and evaluation. In this study, interventionists were trained to use personal…

  14. Plasmon Surface Polariton Dispersion by Direct Optical Observation.

    ERIC Educational Resources Information Center

    Swalen, J. D.; And Others

    1980-01-01

    Describes several simple experiments that can be used to observe directly the dispersion curve of plasmon surface polaritons (PSP) on flat metal surfaces. A method is described of observing the increonental change in the wave vector of the PSP due to coatings that differ in thickness by a few nanometers. (Author/CS)

  15. Stochastic, real-space, imaginary-time evaluation of third-order Feynman-Goldstone diagrams.

    PubMed

    Willow, Soohaeng Yoo; Hirata, So

    2014-01-14

    A new, alternative set of interpretation rules of Feynman-Goldstone diagrams for many-body perturbation theory is proposed, which translates diagrams into algebraic expressions suitable for direct Monte Carlo integrations. A vertex of a diagram is associated with a Coulomb interaction (rather than a two-electron integral) and an edge with the trace of a Green's function in real space and imaginary time. With these, 12 diagrams of third-order many-body perturbation (MP3) theory are converted into 20-dimensional integrals, which are then evaluated by a Monte Carlo method. It uses redundant walkers for convergence acceleration and a weight function for importance sampling in conjunction with the Metropolis algorithm. The resulting Monte Carlo MP3 method has low-rank polynomial size dependence of the operation cost, a negligible memory cost, and a naturally parallel computational kernel, while reproducing the correct correlation energies of small molecules within a few mEh after 10(6) Monte Carlo steps. PMID:24437869

  16. Stochastic, real-space, imaginary-time evaluation of third-order Feynman–Goldstone diagrams

    SciTech Connect

    Willow, Soohaeng Yoo; Hirata, So

    2014-01-14

    A new, alternative set of interpretation rules of Feynman–Goldstone diagrams for many-body perturbation theory is proposed, which translates diagrams into algebraic expressions suitable for direct Monte Carlo integrations. A vertex of a diagram is associated with a Coulomb interaction (rather than a two-electron integral) and an edge with the trace of a Green's function in real space and imaginary time. With these, 12 diagrams of third-order many-body perturbation (MP3) theory are converted into 20-dimensional integrals, which are then evaluated by a Monte Carlo method. It uses redundant walkers for convergence acceleration and a weight function for importance sampling in conjunction with the Metropolis algorithm. The resulting Monte Carlo MP3 method has low-rank polynomial size dependence of the operation cost, a negligible memory cost, and a naturally parallel computational kernel, while reproducing the correct correlation energies of small molecules within a few mE{sub h} after 10{sup 6} Monte Carlo steps.

  17. Real-space representation of uniaxial magnetic anisotropy of ferromagnetic metals with non-periodic structures

    NASA Astrophysics Data System (ADS)

    Inoue, Jun-Ichiro

    2015-11-01

    A real-space representation of magnetic anisotropy (MA) in metallic ferromagnets is formulated in a d-orbital tight-binding model. By adopting the second-order perturbation for the spin-orbit interaction (SOI), which takes into account the direction of magnetisation, the lowest order of the uniaxial MA constant {{K}\\text{u}} is expressed in terms of non-local Green’s functions and the matrix elements of the SOI. The non-local Green’s functions are calculated using a symmetry-conserving recursive method. The validity of the method is examined by comparing the results obtained with those calculated by the first-principles method. The method is applied to calculate layer- or site-resolved {{K}\\text{u}} near body-centred cubic (bcc) Fe and face-centred cubic Ni surfaces with various surface structures. We find that surface resonant states contribute considerably to the uniaxial MA of bcc Fe thin films. Moreover, it is shown that the uniaxial MA is determined by rather short-range atomic configurations.

  18. Direct observation of isolated Damon-Eshbach and backward volume spin-wave packets in ferromagnetic microstripes.

    PubMed

    Wessels, Philipp; Vogel, Andreas; Tödt, Jan-Niklas; Wieland, Marek; Meier, Guido; Drescher, Markus

    2016-01-01

    The analysis of isolated spin-wave packets is crucial for the understanding of magnetic transport phenomena and is particularly interesting for applications in spintronic and magnonic devices, where isolated spin-wave packets implement an information processing scheme with negligible residual heat loss. We have captured microscale magnetization dynamics of single spin-wave packets in metallic ferromagnets in space and time. Using an optically driven high-current picosecond pulse source in combination with time-resolved scanning Kerr microscopy probed by femtosecond laser pulses, we demonstrate phase-sensitive real-space observation of spin-wave packets in confined permalloy (Ni80Fe20) microstripes. Impulsive excitation permits extraction of the dynamical parameters, i.e. phase- and group velocities, frequencies and wave vectors. In addition to well-established Damon-Eshbach modes our study reveals waves with counterpropagating group- and phase-velocities. Such unusual spin-wave motion is expected for backward volume modes where the phase fronts approach the excitation volume rather than emerging out of it due to the negative slope of the dispersion relation. These modes are difficult to excite and observe directly but feature analogies to negative refractive index materials, thus enabling model studies of wave propagation inside metamaterials. PMID:26906113

  19. Direct observation of isolated Damon-Eshbach and backward volume spin-wave packets in ferromagnetic microstripes

    PubMed Central

    Wessels, Philipp; Vogel, Andreas; Tödt, Jan-Niklas; Wieland, Marek; Meier, Guido; Drescher, Markus

    2016-01-01

    The analysis of isolated spin-wave packets is crucial for the understanding of magnetic transport phenomena and is particularly interesting for applications in spintronic and magnonic devices, where isolated spin-wave packets implement an information processing scheme with negligible residual heat loss. We have captured microscale magnetization dynamics of single spin-wave packets in metallic ferromagnets in space and time. Using an optically driven high-current picosecond pulse source in combination with time-resolved scanning Kerr microscopy probed by femtosecond laser pulses, we demonstrate phase-sensitive real-space observation of spin-wave packets in confined permalloy (Ni80Fe20) microstripes. Impulsive excitation permits extraction of the dynamical parameters, i.e. phase- and group velocities, frequencies and wave vectors. In addition to well-established Damon-Eshbach modes our study reveals waves with counterpropagating group- and phase-velocities. Such unusual spin-wave motion is expected for backward volume modes where the phase fronts approach the excitation volume rather than emerging out of it due to the negative slope of the dispersion relation. These modes are difficult to excite and observe directly but feature analogies to negative refractive index materials, thus enabling model studies of wave propagation inside metamaterials. PMID:26906113

  20. Direct observation of isolated Damon-Eshbach and backward volume spin-wave packets in ferromagnetic microstripes

    NASA Astrophysics Data System (ADS)

    Wessels, Philipp; Vogel, Andreas; Tödt, Jan-Niklas; Wieland, Marek; Meier, Guido; Drescher, Markus

    2016-02-01

    The analysis of isolated spin-wave packets is crucial for the understanding of magnetic transport phenomena and is particularly interesting for applications in spintronic and magnonic devices, where isolated spin-wave packets implement an information processing scheme with negligible residual heat loss. We have captured microscale magnetization dynamics of single spin-wave packets in metallic ferromagnets in space and time. Using an optically driven high-current picosecond pulse source in combination with time-resolved scanning Kerr microscopy probed by femtosecond laser pulses, we demonstrate phase-sensitive real-space observation of spin-wave packets in confined permalloy (Ni80Fe20) microstripes. Impulsive excitation permits extraction of the dynamical parameters, i.e. phase- and group velocities, frequencies and wave vectors. In addition to well-established Damon-Eshbach modes our study reveals waves with counterpropagating group- and phase-velocities. Such unusual spin-wave motion is expected for backward volume modes where the phase fronts approach the excitation volume rather than emerging out of it due to the negative slope of the dispersion relation. These modes are difficult to excite and observe directly but feature analogies to negative refractive index materials, thus enabling model studies of wave propagation inside metamaterials.

  1. Retinex Image Processing: Improved Fidelity To Direct Visual Observation

    NASA Technical Reports Server (NTRS)

    Jobson, Daniel J.; Rahman, Zia-Ur; Woodell, Glenn A.

    1996-01-01

    Recorded color images differ from direct human viewing by the lack of dynamic range compression and color constancy. Research is summarized which develops the center/surround retinex concept originated by Edwin Land through a single scale design to a multi-scale design with color restoration (MSRCR). The MSRCR synthesizes dynamic range compression, color constancy, and color rendition and, thereby, approaches fidelity to direct observation.

  2. Real space visualization of thermal fluctuations in a triangular flux-line lattice

    NASA Astrophysics Data System (ADS)

    Schwarz, A.; Liebmann, M.; Pi, U. H.; Wiesendanger, R.

    2010-03-01

    The temperature-dependent properties of a triangular flux-line lattice (FLL) in the low-flux density regime were investigated by evaluating the imaged flux-line (FL) size and the lattice regularity observed in real space utilizing magnetic force microscopy (MFM). At low temperatures, pinning by randomly distributed point defects in the anisotropic type-II superconductor Bi2Sr2CaCu2O8+δ results in curved FLs and lateral disorder within the FLL (Bragg glass). Above 30 K, depinning of pancake vortices (PVs) leads to straightening of FLs and a better-ordered lattice. Evaluation of the temperature-dependent imaged FL size allows us to determine the stiffness of the potential, in which FLs in the lattice are caged due to mutual repulsion between them. At 54.1 K, far below melting temperatures reported so far, thermal fluctuations plus the lateral force exerted by the scanning tip facilitate decoupling of PVs near the surface and the image contrast exhibit a liquid-like behavior. Our analysis demonstrates the ability of MFM to obtain three-dimensional information on the arrangement of PVs.

  3. The Validity of Direct Observation Measures of Pupil Classroom Behavior.

    ERIC Educational Resources Information Center

    Hoge, Robert D.

    1985-01-01

    An evaluation of the validity of direct observation measures of pupil classroom behaviors is presented. Three types of measures are discussed: molar, molecular, and molecular-composite. Consistent support for the validity of molar and molecular-composite types of measures is revealed. (Author/LMO)

  4. Real space estimator for the weak lensing convergence from the CMB

    NASA Astrophysics Data System (ADS)

    Carvalho, C. S.; Moodley, K.

    2010-06-01

    We propose an estimator defined in real space for the reconstruction of the weak lensing potential due to the intervening large-scale structure from high resolution maps of the cosmic microwave background. This estimator was motivated as an alternative to the quadratic estimator in harmonic space to surpass the difficulties of the analysis of maps containing galactic cuts and point source excisions. Using maps synthesized by pixel remapping, we implement the estimator for two experiments, namely, one in the absence and one in the presence of detector noise, and compare the reconstruction of the convergence field with that obtained with the quadratic estimator defined in harmonic space. We find good agreement between the input and the reconstructed power spectra using the proposed real space estimator. We discuss interesting features of the real space estimator and future extensions of this work.

  5. Diffuse x-rays: directly observing dark matter?

    SciTech Connect

    Forbes, Michael McNeil; Zhitnitsky, Ariel R E-mail: arz@physics.ubc.ca

    2008-01-15

    Several independent observations of the galactic core suggest hitherto unexplained sources of energy. We suggest that dark matter in the form of dense antimatter nuggets could provide a natural site for electron and proton annihilation, providing 511 keV photons, gamma rays, and diffuse keV x-ray radiation. We show that identifying dark matter as antimatter nuggets is consistent with the observed emissions, and we make definite predictions about their spectrum and morphology. If correct, our proposal not only identifies dark matter and explains baryogenesis, but also allows x-ray observations to directly probe the matter distribution in our galaxy.

  6. Direct Observation: Assessing Orthopaedic Trainee Competence in the Ambulatory Setting.

    PubMed

    Phillips, Donna P; Zuckerman, Joseph D; Kalet, Adina; Egol, Kenneth A

    2016-09-01

    The Accreditation Council of Graduate Medical Education requires that residency programs teach and assess trainees in six core competencies. Assessments are imperative to determine trainee competence and to ensure that excellent care is provided to all patients. A structured, direct observation program is feasible for assessing nontechnical core competencies and providing trainees with immediate constructive feedback. Direct observation of residents in the outpatient setting by trained faculty allows assessment of each core competency. Checklists are used to document residents' basic communication skills, clinical reasoning, physical examination methods, and medical record keeping. Faculty concerns regarding residents' professionalism, medical knowledge, fatigue, or ability to self-assess are tracked. Serial observations allow for the reinforcement and/or monitoring of skills and attitudes identified as needing improvement. Residents who require additional coaching are identified early in training. Progress in educational milestones is recorded, allowing an individualized educational program that ensures that future orthopaedic surgeons excel across all domains of medical and surgical competence. PMID:27479831

  7. New Directions: Emerging Satellite Observations of Above-cloud Aerosols and Direct Radiative Forcing

    NASA Technical Reports Server (NTRS)

    Yu, Hongbin; Zhang, Zhibo

    2013-01-01

    Spaceborne lidar and passive sensors with multi-wavelength and polarization capabilities onboard the A-Train provide unprecedented opportunities of observing above-cloud aerosols and direct radiative forcing. Significant progress has been made in recent years in exploring these new aerosol remote sensing capabilities and generating unique datasets. The emerging observations will advance the understanding of aerosol climate forcing.

  8. SPICA Coronagraph for the Direct Observation of Exo-Planets

    NASA Astrophysics Data System (ADS)

    Enya, K.; S. W. Group

    2011-12-01

    We present a mid-infrared coronagraph which targets the direct observation of exo-planets for the Space Infrared telescope for Cosmology and Astrophysics (SPICA). Study and experiment are ongoing for an coronagraph for SPICA, and this coronagraph is currently regarded as an option of the focal plane instruments. The primary target of the SPICA coronagraph is the direct imaging and spectroscopy of exo-planets in infrared. The SPICA mission gives us a unique opportunity for high-contrast observations, because of its large telescope aperture (3.5 m), the clean point-spread function provided by the monolithic telescope mirrors, and the capability for infrared observations from space. Laboratory experiments were performed with a visible laser to demonstrate the principles of the coronagraph. In an experiment using a binary-shaped pupil coronagraph, it was demonstrated that the contrast exceeded the requirement of SPICA, 10×10-6. A coronagraph obtained using a binary-shaped pupil mask is a baseline solution for SPICA because of its feasibility and robustness, while the use of a phase-induced amplitude apodization/binary-mask hybrid coronagraph is also considered as an option. Further developments are ongoing in order to realize a mid-infrared coronagraph for SPICA. Considering SPICA to be an essential platform for coronagraphic studies, and taking into account the progress of key technologies, we propose to develop a mid-infrared coronagraph instrument for SPICA and to perform the direct observation of exo-planets by using it.

  9. Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space

    PubMed Central

    Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko; Rubio, Angel

    2015-01-01

    The density-functional approach to quantum electrodynamics extends traditional density-functional theory and opens the possibility to describe electron–photon interactions in terms of effective Kohn–Sham potentials. In this work, we numerically construct the exact electron–photon Kohn–Sham potentials for a prototype system that consists of a trapped electron coupled to a quantized electromagnetic mode in an optical high-Q cavity. Although the effective current that acts on the photons is known explicitly, the exact effective potential that describes the forces exerted by the photons on the electrons is obtained from a fixed-point inversion scheme. This procedure allows us to uncover important beyond-mean-field features of the effective potential that mark the breakdown of classical light–matter interactions. We observe peak and step structures in the effective potentials, which can be attributed solely to the quantum nature of light; i.e., they are real-space signatures of the photons. Our findings show how the ubiquitous dipole interaction with a classical electromagnetic field has to be modified in real space to take the quantum nature of the electromagnetic field fully into account. PMID:26627715

  10. Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space.

    PubMed

    Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko; Rubio, Angel

    2015-12-15

    The density-functional approach to quantum electrodynamics extends traditional density-functional theory and opens the possibility to describe electron-photon interactions in terms of effective Kohn-Sham potentials. In this work, we numerically construct the exact electron-photon Kohn-Sham potentials for a prototype system that consists of a trapped electron coupled to a quantized electromagnetic mode in an optical high-Q cavity. Although the effective current that acts on the photons is known explicitly, the exact effective potential that describes the forces exerted by the photons on the electrons is obtained from a fixed-point inversion scheme. This procedure allows us to uncover important beyond-mean-field features of the effective potential that mark the breakdown of classical light-matter interactions. We observe peak and step structures in the effective potentials, which can be attributed solely to the quantum nature of light; i.e., they are real-space signatures of the photons. Our findings show how the ubiquitous dipole interaction with a classical electromagnetic field has to be modified in real space to take the quantum nature of the electromagnetic field fully into account. PMID:26627715

  11. Survival of Bacillus pumilus spores for a prolonged period of time in real space conditions.

    PubMed

    Vaishampayan, Parag A; Rabbow, Elke; Horneck, Gerda; Venkateswaran, Kasthuri J

    2012-05-01

    To prevent forward contamination and maintain the scientific integrity of future life-detection missions, it is important to characterize and attempt to eliminate terrestrial microorganisms associated with exploratory spacecraft and landing vehicles. Among the organisms isolated from spacecraft-associated surfaces, spores of Bacillus pumilus SAFR-032 exhibited unusually high resistance to decontamination techniques such as UV radiation and peroxide treatment. Subsequently, B. pumilus SAFR-032 was flown to the International Space Station (ISS) and exposed to a variety of space conditions via the European Technology Exposure Facility (EuTEF). After 18 months of exposure in the EXPOSE facility of the European Space Agency (ESA) on EuTEF under dark space conditions, SAFR-032 spores showed 10-40% survivability, whereas a survival rate of 85-100% was observed when these spores were kept aboard the ISS under dark simulated martian atmospheric conditions. In contrast, when UV (>110 nm) was applied on SAFR-032 spores for the same time period and under the same conditions used in EXPOSE, a ∼7-log reduction in viability was observed. A parallel experiment was conducted on Earth with identical samples under simulated space conditions. Spores exposed to ground simulations showed less of a reduction in viability when compared with the "real space" exposed spores (∼3-log reduction in viability for "UV-Mars," and ∼4-log reduction in viability for "UV-Space"). A comparative proteomics analysis indicated that proteins conferring resistant traits (superoxide dismutase) were present in higher concentration in space-exposed spores when compared to controls. Also, the first-generation cells and spores derived from space-exposed samples exhibited elevated UVC resistance when compared with their ground control counterparts. The data generated are important for calculating the probability and mechanisms of microbial survival in space conditions and assessing microbial contaminants

  12. Direct observation of amyloid nucleation under nanomechanical stretching

    NASA Astrophysics Data System (ADS)

    Varongchayakul, Nitinun

    Self-assembly of amyloid nanofiber is associated with functional and pathological processes such as in neurodegenerative diseases. Despite intensive studies, stochastic nature of the process has made it difficult to elucidate molecular mechanisms for the key amyloid nucleation. Here, we investigated the amyloid nucleation of silk-elastin-like peptide (SELP) using time-lapse lateral force microscopy (LFM). By repeated scanning a single line on a SELP-coated mica surface, we observed sudden stepwise height increases, corresponds to nucleation of an amyloid fiber. The lateral force profiles followed either a worm-like chain model or an exponential function, suggesting that the atomic force microscopy (AFM) tip stretches a single or multiple SELP molecules along the scanning direction, serves as the template for further self-assembly perpendicular to the scan direction. Such mechanically induced nucleation of amyloid fibrils allows positional and directional control of amyloid assembly in vitro , which we demonstrate by generating single nanofibers at predetermined nucleation sites.

  13. Direct Observations of the Evolution of Polar Cap Ionization Patches

    NASA Astrophysics Data System (ADS)

    Zhang, Q.; Zhang, B.; Lockwood, M. M.; Hu, H.; Moen, J. I.; Ruohoniemi, J.; Thomas, E. G.; Zhang, S.; Yang, H.; Liu, R.; McWilliams, K. A.; Baker, J. B.

    2013-12-01

    Patches of ionization are common in the polar ionosphere where their motion and associated density gradients give variable disturbances to High Frequency (HF) radio communications, over-the-horizon radar location errors, and disruption and errors to satellite navigation and communication. Their formation and evolution are poorly understood, particularly under disturbed space weather conditions. We report direct observations of the full evolution of patches during a geomagnetic storm, including formation, polar cap entry, transpolar evolution, polar cap exit, and sunward return flow. Our observations show that modulation of nightside reconnection in the substorm cycle of the magnetosphere helps form the gaps between patches where steady convection would give a 'tongue' of ionization (TOI).

  14. Enhanced Optoelectronic Performance of a Passivated Nanowire-Based Device: Key Information from Real-Space Imaging Using 4D Electron Microscopy.

    PubMed

    Khan, Jafar I; Adhikari, Aniruddha; Sun, Jingya; Priante, Davide; Bose, Riya; Shaheen, Basamat S; Ng, Tien Khee; Zhao, Chao; Bakr, Osman M; Ooi, Boon S; Mohammed, Omar F

    2016-05-01

    Managing trap states and understanding their role in ultrafast charge-carrier dynamics, particularly at surface and interfaces, remains a major bottleneck preventing further advancements and commercial exploitation of nanowire (NW)-based devices. A key challenge is to selectively map such ultrafast dynamical processes on the surfaces of NWs, a capability so far out of reach of time-resolved laser techniques. Selective mapping of surface dynamics in real space and time can only be achieved by applying four-dimensional scanning ultrafast electron microscopy (4D S-UEM). Charge carrier dynamics are spatially and temporally visualized on the surface of InGaN NW arrays before and after surface passivation with octadecylthiol (ODT). The time-resolved secondary electron images clearly demonstrate that carrier recombination on the NW surface is significantly slowed down after ODT treatment. This observation is fully supported by enhancement of the performance of the light emitting device. Direct observation of surface dynamics provides a profound understanding of the photophysical mechanisms on materials' surfaces and enables the formulation of effective surface trap state management strategies for the next generation of high-performance NW-based optoelectronic devices. PMID:26938476

  15. Multipole-preserving quadratures for the discretization of functions in real-space electronic structure calculations.

    PubMed

    Genovese, Luigi; Deutsch, Thierry

    2015-12-21

    Discretizing an analytic function on a uniform real-space grid is often done via a straightforward collocation method. This is ubiquitous in all areas of computational physics and quantum chemistry. An example in density functional theory (DFT) is given by the external potential or the pseudo-potential describing the interaction between ions and electrons. The accuracy of the collocation method used is therefore very important for the reliability of subsequent treatments like self-consistent field solutions of the electronic structure problems. By construction, the collocation method introduces numerical artifacts typical of real-space treatments, like the so-called egg-box error, which may spoil the numerical stability of the description when the real-space grid is too coarse. As the external potential is an input of the problem, even a highly precise computational treatment cannot cope this inconvenience. We present in this paper a new quadrature scheme that is able to exactly preserve the moments of a given analytic function even for large grid spacings, while reconciling with the traditional collocation method when the grid spacing is small enough. In the context of real-space electronic structure calculations, we show that this method improves considerably the stability of the results for large grid spacings, opening up the path towards reliable low-accuracy DFT calculations with a reduced number of degrees of freedom. PMID:26372293

  16. Hiding and Searching Strategies of Adult Humans in a Virtual and a Real-Space Room

    ERIC Educational Resources Information Center

    Talbot, Katherine J.; Legge, Eric L. G.; Bulitko, Vadim; Spetch, Marcia L.

    2009-01-01

    Adults searched for or cached three objects in nine hiding locations in a virtual room or a real-space room. In both rooms, the locations selected by participants differed systematically between searching and hiding. Specifically, participants moved farther from origin and dispersed their choices more when hiding objects than when searching for…

  17. Incorporating photometric redshift probability density information into real-space clustering measurements

    NASA Astrophysics Data System (ADS)

    Myers, Adam D.; White, Martin; Ball, Nicholas M.

    2009-11-01

    The use of photometric redshifts in cosmology is increasing. Often, however these photo-z are treated like spectroscopic observations, in that the peak of the photometric redshift, rather than the full probability density function (PDF), is used. This overlooks useful information inherent in the full PDF. We introduce a new real-space estimator for one of the most used cosmological statistics, the two-point correlation function, that weights by the PDF of individual photometric objects in a manner that is optimal when Poisson statistics dominate. As our estimator does not bin based on the PDF peak, it substantially enhances the clustering signal by usefully incorporating information from all photometric objects that overlap the redshift bin of interest. As a real-world application, we measure quasi-stellar object (QSO) clustering in the Sloan Digital Sky Survey (SDSS). We find that our simplest binned estimator improves the clustering signal by a factor equivalent to increasing the survey size by a factor of 2-3. We also introduce a new implementation that fully weights between pairs of objects in constructing the cross-correlation and find that this pair-weighted estimator improves clustering signal in a manner equivalent to increasing the survey size by a factor of 4-5. Our technique uses spectroscopic data to anchor the distance scale and it will be particularly useful where spectroscopic data (e.g. from BOSS) overlap deeper photometry (e.g. from Pan-STARRS, DES or the LSST). We additionally provide simple, informative expressions to determine when our estimator will be competitive with the autocorrelation of spectroscopic objects. Although we use QSOs as an example population, our estimator can and should be applied to any clustering estimate that uses photometric objects.

  18. Microcrack closure in rocks under stress - Direct observation

    NASA Technical Reports Server (NTRS)

    Batzle, M. L.; Simmons, G.; Siegfried, R. W.

    1980-01-01

    Direct observations of the closure of microcracks in rocks under increasing stress are reported. Uniaxial stresses up to 300 bars were applied to untreated and previously heated samples of Westerly granite and Frederick diabase by a small hydraulic press which fit entirely within a scanning electron microscope. Crack closure characteristics are found to depend on crack orientation, with cracks perpendicular to the applied stress closing and those parallel tending to open, as well as crack aspect ratio, crack intersection properties, stress concentrations and surface roughness. Uniaxial and hydrostatic stress measurements are found to be strongly dependent on fracture content as observed by SEM, and the observed hysteresis in strain measurements in the first stress cycles is also related to microscopic processes

  19. Electronic structure of tin oxides by electron energy loss spectroscopy and real-space multiple scattering calculations

    SciTech Connect

    Moreno, M. S.; Egerton, R.F.; Rehr, J.J.; Midgley, P.A.

    2005-01-15

    The electronic structure of the tin oxides SnO and SnO{sub 2} is studied using the fine structure of the Sn-M{sub 4,5} and oxygen K-edges measured by electron energy loss spectroscopy (EELS). The experimental results are compared with real-space multiple scattering calculations. It is observed that both edges are overlapped. The calculations reveal that the observed fine structure is due largely to the oxygen states, and that it can be used to fingerprint each phase. The calculated densities of states are similar for both compounds and suggest a covalent nature. The structures appearing within the first 10 eV above the threshold arise from a covalent mixing of mainly O 2p and Sn 5s-p. For SnO the oxygen edge is satisfactorily reproduced. Discrepancies in the predicted energy position of the features in the EELS of SnO{sub 2} are briefly discussed.

  20. Direct observation of intermolecular interactions mediated by hydrogen bonding

    NASA Astrophysics Data System (ADS)

    De Marco, Luigi; Thämer, Martin; Reppert, Mike; Tokmakoff, Andrei

    2014-07-01

    Although intermolecular interactions are ubiquitous in physicochemical phenomena, their dynamics have proven difficult to observe directly, and most experiments rely on indirect measurements. Using broadband two-dimensional infrared spectroscopy (2DIR), we have measured the influence of hydrogen bonding on the intermolecular vibrational coupling between dimerized N-methylacetamide molecules. In addition to strong intramolecular coupling between N-H and C=O oscillators, cross-peaks in the broadband 2DIR spectrum appearing upon dimerization reveal strong intermolecular coupling that changes the character of the vibrations. In addition, dimerization changes the effects of intramolecular coupling, resulting in Fermi resonances between high and low-frequency modes. These results illustrate how hydrogen bonding influences the interplay of inter- and intramolecular vibrations, giving rise to correlated nuclear motions and significant changes in the vibrational structure of the amide group. These observations have direct impact on modeling and interpreting the IR spectra of proteins. In addition, they illustrate a general approach to direct molecular characterization of intermolecular interactions.

  1. Direct observation of intermolecular interactions mediated by hydrogen bonding

    SciTech Connect

    De Marco, Luigi; Reppert, Mike; Thämer, Martin; Tokmakoff, Andrei

    2014-07-21

    Although intermolecular interactions are ubiquitous in physicochemical phenomena, their dynamics have proven difficult to observe directly, and most experiments rely on indirect measurements. Using broadband two-dimensional infrared spectroscopy (2DIR), we have measured the influence of hydrogen bonding on the intermolecular vibrational coupling between dimerized N-methylacetamide molecules. In addition to strong intramolecular coupling between N–H and C=O oscillators, cross-peaks in the broadband 2DIR spectrum appearing upon dimerization reveal strong intermolecular coupling that changes the character of the vibrations. In addition, dimerization changes the effects of intramolecular coupling, resulting in Fermi resonances between high and low-frequency modes. These results illustrate how hydrogen bonding influences the interplay of inter- and intramolecular vibrations, giving rise to correlated nuclear motions and significant changes in the vibrational structure of the amide group. These observations have direct impact on modeling and interpreting the IR spectra of proteins. In addition, they illustrate a general approach to direct molecular characterization of intermolecular interactions.

  2. Direct Observation of Luminescent Silver Clusters Confined in Faujasite Zeolites.

    PubMed

    Altantzis, Thomas; Coutino-Gonzalez, Eduardo; Baekelant, Wouter; Martinez, Gerardo T; Abakumov, Artem M; Tendeloo, Gustaaf Van; Roeffaers, Maarten B J; Bals, Sara; Hofkens, Johan

    2016-08-23

    One of the ultimate goals in the study of metal clusters is the correlation between the atomic-scale organization and their physicochemical properties. However, direct observation of the atomic organization of such minuscule metal clusters is heavily hindered by radiation damage imposed by the different characterization techniques. We present direct evidence of the structural arrangement, at an atomic level, of luminescent silver species stabilized in faujasite (FAU) zeolites using aberration-corrected scanning transmission electron microscopy. Two different silver clusters were identified in Ag-FAU zeolites, a trinuclear silver species associated with green emission and a tetranuclear silver species related to yellow emission. By combining direct imaging with complementary information obtained from X-ray powder diffraction and Rietveld analysis, we were able to elucidate the main differences at an atomic scale between luminescent (heat-treated) and nonluminescent (cation-exchanged) Ag-FAU zeolites. It is expected that such insights will trigger the directed synthesis of functional metal nanocluster-zeolite composites with tailored luminescent properties. PMID:27391548

  3. Real space imaging of spin polarons in Zn-doped SrCu(2)(BO(3))(2).

    PubMed

    Yoshida, M; Kobayashi, H; Yamauchi, I; Takigawa, M; Capponi, S; Poilblanc, D; Mila, F; Kudo, K; Koike, Y; Kobayashi, N

    2015-02-01

    We report on the real space profile of spin polarons in the quasi-two-dimensional frustrated dimer spin system SrCu(2)(BO(3))(2) doped with 0.16% of Zn. The (11)B nuclear magnetic resonance spectrum exhibits 15 additional boron sites near nonmagnetic Zn impurities. With the help of exact diagonalizations of finite clusters, we have deduced from the boron spectrum, the distribution of local magnetizations at the Cu sites with fine spatial resolution, providing direct evidence for an extended spin polaron. The results are confronted with those of other experiments performed on doped and undoped samples of SrCu(2)(BO(3))(2). PMID:25699459

  4. Direct observation of lubricant additives using tomography techniques

    NASA Astrophysics Data System (ADS)

    Chen, Yunyun; Sanchez, Carlos; Parkinson, Dilworth Y.; Liang, Hong

    2016-07-01

    Lubricants play important roles in daily activities such as driving, walking, and cooking. The current understanding of mechanisms of lubrication, particularly in mechanical systems, has been limited by the lack of capability in direct observation. Here, we report an in situ approach to directly observe the motion of additive particles in grease under the influence of shear. Using the K-edge tomography technique, it is possible to detect particular additives in a grease and observe their distribution through 3D visualization. A commercial grease as a reference was studied with and without an inorganic additive of Fe3O4 microparticles. The results showed that it was possible to identify these particles and track their movement. Under a shear stress, Fe3O4 particles were found to adhere to the edge of calcium complex thickeners commonly used in grease. Due to sliding, the grease formed a film with increased density. This approach enables in-line monitoring of a lubricant and future investigation in mechanisms of lubrication.

  5. Direct observation of negative-index microwave surface waves.

    PubMed

    Dockrey, J A; Horsley, S A R; Hooper, I R; Sambles, J R; Hibbins, A P

    2016-01-01

    Waves propagating in a negative-index material have wave-front propagation (wavevector, k) opposite in direction to that of energy flow (Poynting vector, S). Here we present an experimental realisation at microwave frequencies of an analogous surface wave phenomenon whereby a metasurface supports a surface mode that has two possible wavevector eigenstates within a narrow band of frequencies: one that supports surface waves with positive mode index, and another that supports surface waves with negative mode index. Phase sensitive measurements of the near-field of surface waves across the metasurface show the contrasting spatial evolution of the two eigenstates, providing a unique opportunity to directly observe the negative-index phenomenon. PMID:26903284

  6. Direct observation of negative-index microwave surface waves

    NASA Astrophysics Data System (ADS)

    Dockrey, J. A.; Horsley, S. A. R.; Hooper, I. R.; Sambles, J. R.; Hibbins, A. P.

    2016-02-01

    Waves propagating in a negative-index material have wave-front propagation (wavevector, k) opposite in direction to that of energy flow (Poynting vector, S). Here we present an experimental realisation at microwave frequencies of an analogous surface wave phenomenon whereby a metasurface supports a surface mode that has two possible wavevector eigenstates within a narrow band of frequencies: one that supports surface waves with positive mode index, and another that supports surface waves with negative mode index. Phase sensitive measurements of the near-field of surface waves across the metasurface show the contrasting spatial evolution of the two eigenstates, providing a unique opportunity to directly observe the negative-index phenomenon.

  7. Direct observation of negative-index microwave surface waves

    PubMed Central

    Dockrey, J. A.; Horsley, S. A. R.; Hooper, I. R.; Sambles, J. R.; Hibbins, A. P.

    2016-01-01

    Waves propagating in a negative-index material have wave-front propagation (wavevector, k) opposite in direction to that of energy flow (Poynting vector, S). Here we present an experimental realisation at microwave frequencies of an analogous surface wave phenomenon whereby a metasurface supports a surface mode that has two possible wavevector eigenstates within a narrow band of frequencies: one that supports surface waves with positive mode index, and another that supports surface waves with negative mode index. Phase sensitive measurements of the near-field of surface waves across the metasurface show the contrasting spatial evolution of the two eigenstates, providing a unique opportunity to directly observe the negative-index phenomenon. PMID:26903284

  8. Direct state reconstruction with coupling-deformed pointer observables

    NASA Astrophysics Data System (ADS)

    Zhu, Xuanmin; Zhang, Yu-Xiang; Wu, Shengjun

    2016-06-01

    Direct state tomography (DST) using weak measurements has received wide attention. Based on the concept of coupling-deformed pointer observables presented by Zhang et al. [Y.-X. Zhang, S. Wu, and Z.-B. Chen, Phys. Rev. A 93, 032128 (2016), 10.1103/PhysRevA.93.032128], a modified direct state tomography (MDST) is proposed, examined, and compared with other typical state tomography schemes. MDST has exact validity for measurements of any strength. We identify the strength needed to attain the highest efficiency level of MDST by using statistical theory. MDST is much more efficient than DST in the sense that far fewer samples are needed to reach DST's level of reconstruction accuracy. Moreover, MDST has no inherent bias when compared to DST.

  9. Direct Observation of Teacher and Student Behavior in School Settings: Trends, Issues and Future Directions

    ERIC Educational Resources Information Center

    Lewis, Timothy J.; Scott, Terrance M.; Wehby, Joseph H.; Wills, Howard P.

    2014-01-01

    Across the modern history of the field of special education and emotional/behavioral disorders (EBD), direct observation of student and educator behavior has been an essential component of the diagnostic process, student progress monitoring, and establishing functional and statistical relationships within research. This article provides an…

  10. Direct observation of Kelvin waves excited by quantized vortex reconnection.

    PubMed

    Fonda, Enrico; Meichle, David P; Ouellette, Nicholas T; Hormoz, Sahand; Lathrop, Daniel P

    2014-03-25

    Quantized vortices are key features of quantum fluids such as superfluid helium and Bose-Einstein condensates. The reconnection of quantized vortices and subsequent emission of Kelvin waves along the vortices are thought to be central to dissipation in such systems. By visualizing the motion of submicron particles dispersed in superfluid (4)He, we have directly observed the emission of Kelvin waves from quantized vortex reconnection. We characterize one event in detail, using dimensionless similarity coordinates, and compare it with several theories. Finally, we give evidence for other examples of wavelike behavior in our system. PMID:24704878

  11. Roughness determination by direct visual observation of the speckle pattern

    NASA Astrophysics Data System (ADS)

    Rebollo, M. A.; Landau, M. R.; Hogert, E. N.; Gaggioli, N. G.; Muramatsu, M.

    1995-12-01

    There are mechanical and optical methods of measuring the roughness of surfaces. Mechanical methods are of a destructive type, while optical methods, although they are non-destructive, involve relatively complex systems and calculations. In this work a simple method is introduced, which allows one—through the direct observation of the speckle pattern—to make a visual correlation, comparing the first pattern with others obtained when the beam incidence angle varies. With this method it is possible to obtain results with acceptable accuracy for many industrial uses.

  12. Direct Observation of Correlated Interdomain Motion in Alcohol Dehydrogenase

    SciTech Connect

    Biehl, Ralf; Monkenbusch, Michael; Richter, Dieter; Hoffmann, Bernd; Merkel, Rudolf; Falus, Peter; Preost, Sylvain

    2008-09-26

    Interdomain motions in proteins are essential to enable or promote biochemical function. Neutron spin-echo spectroscopy is used to directly observe the domain dynamics of the protein alcohol dehydrogenase. The collective motion of domains as revealed by their coherent form factor relates to the cleft opening dynamics between the binding and the catalytic domains enabling binding and release of the functional important cofactor. The cleft opening mode hardens as a result of an overall stiffening of the domain complex due to the binding of the cofactor.

  13. Direct observation of Kelvin waves excited by quantized vortex reconnection

    PubMed Central

    Fonda, Enrico; Meichle, David P.; Ouellette, Nicholas T.; Hormoz, Sahand; Lathrop, Daniel P.

    2014-01-01

    Quantized vortices are key features of quantum fluids such as superfluid helium and Bose–Einstein condensates. The reconnection of quantized vortices and subsequent emission of Kelvin waves along the vortices are thought to be central to dissipation in such systems. By visualizing the motion of submicron particles dispersed in superfluid 4He, we have directly observed the emission of Kelvin waves from quantized vortex reconnection. We characterize one event in detail, using dimensionless similarity coordinates, and compare it with several theories. Finally, we give evidence for other examples of wavelike behavior in our system. PMID:24704878

  14. Direct observation of small cluster mobility and ripening

    NASA Technical Reports Server (NTRS)

    Heinemann, K.; Poppa, H.

    1976-01-01

    Direct evidence is reported for the simultaneous occurrence of Ostwald ripening and short-distance cluster mobility during annealing of discontinuous metal films on clean amorphous substrates. The annealing characteristics of very thin particulate deposits of silver on amorphized clean surfaces of single-crystalline thin graphite substrates have been studied by in situ transmission electron microscopy (TEM) under controlled environmental conditions in the temperature range from 25 to 450 C. It was possible to monitor all stages of the experiments by TEM observation of the same specimen area. Slow Ostwald ripening was found to occur over the entire temperature range, but the overriding surface transport mechanism was short-distance cluster mobility. This was concluded from in situ observations of individual particles during annealing and from measurements of cluster size distributions, cluster number densities, area coverages, and mean cluster diameters.

  15. Direct observation of thitherto unobservable quantum phenomena by using electrons

    PubMed Central

    Tonomura, Akira

    2005-01-01

    Fundamental aspects of quantum mechanics, which were discussed only theoretically as “thought experiments” in the 1920s and 1930s, have begun to frequently show up in nanoscopic regions owing to recent rapid progress in advanced technologies. Quantum phenomena were once regarded as the ultimate factors limiting further miniaturization trends of microstructured electronic devices, but now they have begun to be actively used as the principles for new devices such as quantum computers. To directly observe what had been unobservable quantum phenomena, we have tried to develop bright and monochromatic electron beams for the last 35 years. Every time the brightness of an electron beam improved, fundamental experiments in quantum mechanics became possible, and quantum phenomena became observable by using the wave nature of electrons. PMID:16150719

  16. Direct observations of the evolution of polar cap ionization patches.

    PubMed

    Zhang, Qing-He; Zhang, Bei-Chen; Lockwood, Michael; Hu, Hong-Qiao; Moen, Jøran; Ruohoniemi, J Michael; Thomas, Evan G; Zhang, Shun-Rong; Yang, Hui-Gen; Liu, Rui-Yuan; McWilliams, Kathryn A; Baker, Joseph B H

    2013-03-29

    Patches of ionization are common in the polar ionosphere, where their motion and associated density gradients give variable disturbances to high-frequency (HF) radio communications, over-the-horizon radar location errors, and disruption and errors to satellite navigation and communication. Their formation and evolution are poorly understood, particularly under disturbed space weather conditions. We report direct observations of the full evolution of patches during a geomagnetic storm, including formation, polar cap entry, transpolar evolution, polar cap exit, and sunward return flow. Our observations show that modulation of nightside reconnection in the substorm cycle of the magnetosphere helps form the gaps between patches where steady convection would give a "tongue" of ionization (TOI). PMID:23539601

  17. Directly observable optical properties of sprites in Central Europe

    NASA Astrophysics Data System (ADS)

    Bór, József

    2013-04-01

    Luminous optical emissions accompanying streamer-based natural electric breakdown processes initiating in the mesosphere are called sprites. 489 sprite events have been observed with a TV frame rate video system in Central Europe from Sopron (47.68N, 16.58E, 230 m MSL), Hungary between 2007 and 2009. On the basis of these observations, characteristic morphological properties of sprites, i.e. basic forms (e.g. column, carrot, angel, etc.) as well as common morphological features (e.g. tendrils, glows, puffs, beads, etc.), have been identified. Probable time sequences of streamer propagation directions were associated with each of the basic sprite forms. It is speculated that different sequences of streamer propagation directions can result in very similar final sprite shapes. The number and type variety of sprite elements appearing in an event as well as the total optical duration of an event was analyzed statistically. Jellyfish and dancing sprite events were considered as special subsets of sprite clusters. It was found that more than 90% of the recorded sprite elements appeared in clusters rather than alone and more than half of the clusters contained more than one basic sprite forms. The analysis showed that jellyfish sprites and clusters of column sprites featuring glows and tendrils do not tend to have optical lifetimes longer than 80 ms. Such very long optical lifetimes have not been observed in sprite clusters containing more than 25 elements of any type, either. In contrast to clusters containing sprite entities of only one form, sprite events showing more sprite forms seem to have extended optical durations more likely. The need for further investigation and for finding theoretical concepts to link these observations to electric conditions ambient for sprite formation is emphasized.

  18. Direct observation of photoinduced bent nitrosyl excited-state complexes

    SciTech Connect

    Sawyer, Karma R.; Steele, Ryan P.; Glascoe, Elizabeth A.; Cahoon, James F.; Schlegel, Jacob P.; Head-Gordon, Martin; Harris, Charles B.

    2008-06-28

    Ground state structures with side-on nitrosyl ({eta}{sup 2}-NO) and isonitrosyl (ON) ligands have been observed in a variety of transition-metal complexes. In contrast, excited state structures with bent-NO ligands have been proposed for years but never directly observed. Here we use picosecond time-resolved infrared spectroscopy and density functional theory (DFT) modeling to study the photochemistry of Co(CO){sub 3}(NO), a model transition-metal-NO compound. Surprisingly, we have observed no evidence for ON and {eta}{sup 2}-NO structural isomers, but have observed two bent-NO complexes. DFT modeling of the ground and excited state potentials indicates that the bent-NO complexes correspond to triplet excited states. Photolysis of Co(CO){sub 3}(NO) with a 400-nm pump pulse leads to population of a manifold of excited states which decay to form an excited state triplet bent-NO complex within 1 ps. This structure relaxes to the ground triplet state in ca. 350 ps to form a second bent-NO structure.

  19. Large-scale real-space density-functional calculations: Moiré-induced electron localization in graphene

    SciTech Connect

    Oshiyama, Atsushi Iwata, Jun-Ichi; Uchida, Kazuyuki; Matsushita, Yu-Ichiro

    2015-03-21

    We show that our real-space finite-difference scheme allows us to perform density-functional calculations for nanometer-scale targets containing more than 100 000 atoms. This real-space scheme is applied to twisted bilayer graphene, clarifying that Moiré pattern induced in the slightly twisted bilayer graphene drastically modifies the atomic and electronic structures.

  20. Direct Observation Assessment of Milestones: Problems with Reliability

    PubMed Central

    Schott, Meghan; Kedia, Raashee; Promes, Susan B.; Swoboda, Thomas; O’Rourke, Kevin; Green, Walter; Liu, Rachel; Stansfield, Brent; Santen, Sally A.

    2015-01-01

    Introduction Emergency medicine (EM) milestones are used to assess residents’ progress. While some milestone validity evidence exists, there is a lack of standardized tools available to reliably assess residents. Inherent to this is a concern that we may not be truly measuring what we intend to assess. The purpose of this study was to design a direct observation milestone assessment instrument supported by validity and reliability evidence. In addition, such a tool would further lend validity evidence to the EM milestones by demonstrating their accurate measurement. Methods This was a multi-center, prospective, observational validity study conducted at eight institutions. The Critical Care Direct Observation Tool (CDOT) was created to assess EM residents during resuscitations. This tool was designed using a modified Delphi method focused on content, response process, and internal structure validity. Paying special attention to content validity, the CDOT was developed by an expert panel, maintaining the use of the EM milestone wording. We built response process and internal consistency by piloting and revising the instrument. Raters were faculty who routinely assess residents on the milestones. A brief training video on utilization of the instrument was completed by all. Raters used the CDOT to assess simulated videos of three residents at different stages of training in a critical care scenario. We measured reliability using Fleiss’ kappa and interclass correlations. Results Two versions of the CDOT were used: one used the milestone levels as global rating scales with anchors, and the second reflected a current trend of a checklist response system. Although the raters who used the CDOT routinely rate residents in their practice, they did not score the residents’ performances in the videos comparably, which led to poor reliability. The Fleiss’ kappa of each of the items measured on both versions of the CDOT was near zero. Conclusion The validity and

  1. Numerical Real Space Renormalization of a 2D Random Boson Model

    NASA Astrophysics Data System (ADS)

    Iyer, Shankar; Refael, Gil

    2011-03-01

    Interest in the random boson problem originated in experiments on Helium adsorbed in Vycor, but the problem arises in many contexts, including Josephson junction arrays and disordered cold atom systems. Recently, Altman, Kafri, Polkovnikov, and Refael have studied a rotor model description of interacting bosons subjected to quenched disorder in one dimension. Using a real space renormalization approach, they have identified a random fixed point that marks the transition between superfluid and Mott-glass phases. Here, we describe work that numerically extends their approach to the random boson problem in two dimensions. We first test the validity of the real space renormalization by comparison to exact diagonalization of small systems. Then, we move to larger systems and explore what the renormalization scheme can tell us about the nature of the insulating and superfluid phases.

  2. Excited calculations of large scale multiwalled nanotubes using real-space pseudopotential methods

    NASA Astrophysics Data System (ADS)

    Lena, Charles; Chelikowsky, James; Deslippe, Jack; Saad, Yousef; Yang, Chao; Louie, Steven G.

    2015-03-01

    One method for calculating excited states is the GW method. The GW method has many computational requirements. One of the bottlenecks is the calculation of numerous empty states. Within density functional theory, we use a real-space pseudopotential method (PARSEC) to calculate these empty states for multiwalled nanotubes. We illustrate the use of these empty states for calculating excited states using the GW method (BerkeleyGW). We demonstrate why using real-space density functional theory is advantageous for calculating empty states. Support provided by the SciDAC program, Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Grant Numbers DE-SC0008877 (Austin) and DE-FG02-12ER4 (Berkeley)

  3. Direct observation of the strange b baryon Xib-.

    PubMed

    Abazov, V M; Abbott, B; Abolins, M; Acharya, B S; Adams, M; Adams, T; Aguilo, E; Ahn, S H; Ahsan, M; Alexeev, G D; Alkhazov, G; Alton, A; Alverson, G; Alves, G A; Anastasoaie, M; Ancu, L S; Andeen, T; Anderson, S; Andrieu, B; Anzelc, M S; Arnoud, Y; Arov, M; Arthaud, M; Askew, A; Asman, B; Assis Jesus, A C S; Atramentov, O; Autermann, C; Avila, C; Ay, C; Badaud, F; Baden, A; Bagby, L; Baldin, B; Bandurin, D V; Banerjee, S; Banerjee, P; Barberis, E; Barfuss, A-F; Bargassa, P; Baringer, P; Barreto, J; Bartlett, J F; Bassler, U; Bauer, D; Beale, S; Bean, A; Begalli, M; Begel, M; Belanger-Champagne, C; Bellantoni, L; Bellavance, A; Benitez, J A; Beri, S B; Bernardi, G; Bernhard, R; Berntzon, L; Bertram, I; Besançon, M; Beuselinck, R; Bezzubov, V A; Bhat, P C; Bhatnagar, V; Biscarat, C; Blazey, G; Blekman, F; Blessing, S; Bloch, D; Bloom, K; Boehnlein, A; Boline, D; Bolton, T A; Borissov, G; Bos, K; Bose, T; Brandt, A; Brock, R; Brooijmans, G; Bross, A; Brown, D; Buchanan, N J; Buchholz, D; Buehler, M; Buescher, V; Burdin, S; Burke, S; Burnett, T H; Buszello, C P; Butler, J M; Calfayan, P; Calvet, S; Cammin, J; Caron, S; Carvalho, W; Casey, B C K; Cason, N M; Castilla-Valdez, H; Chakrabarti, S; Chakraborty, D; Chan, K M; Chan, K; Chandra, A; Charles, F; Cheu, E; Chevallier, F; Cho, D K; Choi, S; Choudhary, B; Christofek, L; Christoudias, T; Cihangir, S; Claes, D; Clément, C; Clément, B; Coadou, Y; Cooke, M; Cooper, W E; Corcoran, M; Couderc, F; Cousinou, M-C; Crépé-Renaudin, S; Cutts, D; Cwiok, M; da Motta, H; Das, A; Davies, G; De, K; de Jong, S J; de Jong, P; De La Cruz-Burelo, E; De Oliveira Martins, C; Degenhardt, J D; Déliot, F; Demarteau, M; Demina, R; Denisov, D; Denisov, S P; Desai, S; Diehl, H T; Diesburg, M; Dominguez, A; Dong, H; Dudko, L V; Duflot, L; Dugad, S R; Duggan, D; Duperrin, A; Dyer, J; Dyshkant, A; Eads, M; Edmunds, D; Ellison, J; Elvira, V D; Enari, Y; Eno, S; Ermolov, P; Evans, H; Evdokimov, A; Evdokimov, V N; Ferapontov, A V; Ferbel, T; Fiedler, F; Filthaut, F; Fisher, W; Fisk, H E; Ford, M; Fortner, M; Fox, H; Fu, S; Fuess, S; Gadfort, T; Galea, C F; Gallas, E; Galyaev, E; Garcia, C; Garcia-Bellido, A; Gavrilov, V; Gay, P; Geist, W; Gelé, D; Gerber, C E; Gershtein, Y; Gillberg, D; Ginther, G; Gollub, N; Gómez, B; Goussiou, A; Grannis, P D; Greenlee, H; Greenwood, Z D; Gregores, E M; Grenier, G; Gris, Ph; Grivaz, J-F; Grohsjean, A; Grünendahl, S; Grünewald, M W; Guo, J; Guo, F; Gutierrez, P; Gutierrez, G; Haas, A; Hadley, N J; Haefner, P; Hagopian, S; Haley, J; Hall, I; Hall, R E; Han, L; Hanagaki, K; Hansson, P; Harder, K; Harel, A; Harrington, R; Hauptman, J M; Hauser, R; Hays, J; Hebbeker, T; Hedin, D; Hegeman, J G; Heinmiller, J M; Heinson, A P; Heintz, U; Hensel, C; Herner, K; Hesketh, G; Hildreth, M D; Hirosky, R; Hobbs, J D; Hoeneisen, B; Hoeth, H; Hohlfeld, M; Hong, S J; Hooper, R; Hossain, S; Houben, P; Hu, Y; Hubacek, Z; Hynek, V; Iashvili, I; Illingworth, R; Ito, A S; Jabeen, S; Jaffré, M; Jain, S; Jakobs, K; Jarvis, C; Jesik, R; Johns, K; Johnson, C; Johnson, M; Jonckheere, A; Jonsson, P; Juste, A; Käfer, D; Kahn, S; Kajfasz, E; Kalinin, A M; Kalk, J R; Kalk, J M; Kappler, S; Karmanov, D; Kasper, J; Kasper, P; Katsanos, I; Kau, D; Kaur, R; Kaushik, V; Kehoe, R; Kermiche, S; Khalatyan, N; Khanov, A; Kharchilava, A; Kharzheev, Y M; Khatidze, D; Kim, H; Kim, T J; Kirby, M H; Kirsch, M; Klima, B; Kohli, J M; Konrath, J-P; Kopal, M; Korablev, V M; Kothari, B; Kozelov, A V; Krop, D; Kryemadhi, A; Kuhl, T; Kumar, A; Kunori, S; Kupco, A; Kurca, T; Kvita, J; Lacroix, F; Lam, D; Lammers, S; Landsberg, G; Lazoflores, J; Lebrun, P; Lee, W M; Leflat, A; Lehner, F; Lellouch, J; Lesne, V; Leveque, J; Lewis, P; Li, J; Li, Q Z; Li, L; Lietti, S M; Lima, J G R; Lincoln, D; Linnemann, J; Lipaev, V V; Lipton, R; Liu, Y; Liu, Z; Lobo, L; Lobodenko, A; Lokajicek, M; Lounis, A; Love, P; Lubatti, H J; Lyon, A L; Maciel, A K A; Mackin, D; Madaras, R J; Mättig, P; Magass, C; Magerkurth, A; Makovec, N; Mal, P K; Malbouisson, H B; Malik, S; Malyshev, V L; Mao, H S; Maravin, Y; Martin, B; McCarthy, R; Melnitchouk, A; Mendes, A; Mendoza, L; Mercadante, P G; Merekov, Y P; Merkin, M; Merritt, K W; Meyer, J; Meyer, A; Michaut, M; Millet, T; Mitrevski, J; Molina, J; Mommsen, R K; Mondal, N K; Moore, R W; Moulik, T; Muanza, G S; Mulders, M; Mulhearn, M; Mundal, O; Mundim, L; Nagy, E; Naimuddin, M; Narain, M; Naumann, N A; Neal, H A; Negret, J P; Neustroev, P; Nilsen, H; Nomerotski, A; Novaes, S F; Nunnemann, T; O'Dell, V; O'Neil, D C; Obrant, G; Ochando, C; Onoprienko, D; Oshima, N; Osta, J; Otec, R; Otero y Garzón, G J; Owen, M; Padley, P; Pangilinan, M; Panov, G; Parashar, N; Park, S-J; Park, S K; Parsons, J; Partridge, R; Parua, N; Patwa, A; Pawloski, G; Penning, B; Perea, P M; Peters, K; Peters, Y; Pétroff, P; Petteni, M; Piegaia, R; Piper, J; Pleier, M-A; Podesta-Lerma, P L M; Podstavkov, V M; Pogorelov, Y; Pol, M-E; Polozov, P; Pompos, A; Pope, B G; Popov, A V; Potter, C; Prado da Silva, W L; Prosper, H B; Protopopescu, S; Qian, J; Quadt, A; Quinn, B; Rakitine, A; Rangel, M S; Rani, K J; Ranjan, K; Ratoff, P N; Renkel, P; Reucroft, S; Rich, P; Rijssenbeek, M; Ripp-Baudot, I; Rizatdinova, F; Robinson, S; Rodrigues, R F; Royon, C; Rozhdestvenski, A; Rubinov, P; Ruchti, R; Safronov, G; Sajot, G; Sánchez-Hernández, A; Sanders, M P; Santoro, A; Savage, G; Sawyer, L; Scanlon, T; Schaile, D; Schamberger, R D; Scheglov, Y; Schellman, H; Schieferdecker, P; Schliephake, T; Schmitt, C; Schwanenberger, C; Schwartzman, A; Schwienhorst, R; Sekaric, J; Sengupta, S; Severini, H; Shabalina, E; Shamim, M; Shary, V; Shchukin, A A; Shivpuri, R K; Shpakov, D; Siccardi, V; Simak, V; Sirotenko, V; Skubic, P; Slattery, P; Smirnov, D; Smith, R P; Snow, J; Snow, G R; Snyder, S; Söldner-Rembold, S; Sonnenschein, L; Sopczak, A; Sosebee, M; Soustruznik, K; Souza, M; Spurlock, B; Stark, J; Steele, J; Stolin, V; Stone, A; Stoyanova, D A; Strandberg, J; Strandberg, S; Strang, M A; Strauss, M; Strauss, E; Ströhmer, R; Strom, D; Strovink, M; Stutte, L; Sumowidagdo, S; Svoisky, P; Sznajder, A; Talby, M; Tamburello, P; Tanasijczuk, A; Taylor, W; Telford, P; Temple, J; Tiller, B; Tissandier, F; Titov, M; Tokmenin, V V; Tomoto, M; Toole, T; Torchiani, I; Trefzger, T; Tsybychev, D; Tuchming, B; Tully, C; Tuts, P M; Unalan, R; Uvarov, S; Uvarov, L; Uzunyan, S; Vachon, B; van den Berg, P J; van Eijk, B; Van Kooten, R; van Leeuwen, W M; Varelas, N; Varnes, E W; Vartapetian, A; Vasilyev, I A; Vaupel, M; Verdier, P; Vertogradov, L S; Vertogradova, Y; Verzocchi, M; Villeneuve-Seguier, F; Vint, P; Vokac, P; Von Toerne, E; Voutilainen, M; Vreeswijk, M; Wagner, R; Wahl, H D; Wang, L; Wang, M H L S; Warchol, J; Watts, G; Wayne, M; Weber, M; Weber, G; Weerts, H; Wenger, A; Wermes, N; Wetstein, M; White, A; Wicke, D; Wilson, G W; Wimpenny, S J; Wobisch, M; Wood, D R; Wyatt, T R; Xie, Y; Yacoob, S; Yamada, R; Yan, M; Yasuda, T; Yatsunenko, Y A; Yip, K; Yoo, H D; Youn, S W; Yu, J; Yu, C; Yurkewicz, A; Zatserklyaniy, A; Zeitnitz, C; Zhang, D; Zhao, T; Zhou, B; Zhu, J; Zielinski, M; Zieminska, D; Zieminski, A; Zivkovic, L; Zutshi, V; Zverev, E G

    2007-08-01

    We report the first direct observation of the strange b baryon Xi(b)- (Xi(b)+). We reconstruct the decay Xi(b)- -->J/psiXi-, with J/psi-->mu+mu-, and Xi--->Lambdapi--->ppi-pi- in pp collisions at square root of s =1.96 TeV. Using 1.3 fb(-1) of data collected by the D0 detector, we observe 15.2 +/- 4.4(stat)(-0.4)(+1.9)(syst) Xi(b)- candidates at a mass of 5.774 +/- 0.011(stat) +/- 0.015(syst) GeV. The significance of the observed signal is 5.5 sigma, equivalent to a probability of 3.3 x 10(-8) of it arising from a background fluctuation. Normalizing to the decay Lambda(b)-->J/psiLambda, we measure the relative rate sigma(Xi(b-) x B(Xi)b})- -->J/psiXi-)/sigma(Lambda(b)) x B(Lambda(b)-->J/psiLambda) = 0.28+/-0.09(stat)(-0.08)(+0.09)(syst). PMID:17930744

  4. Orbital tomography: Molecular band maps, momentum maps and the imaging of real space orbitals of adsorbed molecules

    PubMed Central

    Offenbacher, Hannes; Lüftner, Daniel; Ules, Thomas; Reinisch, Eva Maria; Koller, Georg; Puschnig, Peter; Ramsey, Michael G.

    2015-01-01

    The frontier orbitals of molecules are the prime determinants of their chemical, optical and electronic properties. Arguably, the most direct method of addressing the (filled) frontier orbitals is ultra-violet photoemission spectroscopy (UPS). Although UPS is a mature technique from the early 1970s on, the angular distribution of the photoemitted electrons was thought to be too complex to be analysed quantitatively. Recently angle resolved UPS (ARUPS) work on conjugated molecules both, in ordered thick films and chemisorbed monolayers, has shown that the angular (momentum) distribution of the photocurrent from orbital emissions can be simply understood. The approach, based on the assumption of a plane wave final state is becoming known as orbital tomography. Here we will demonstrate, with selected examples of pentacene (5A) and sexiphenyl (6P), the potential of orbital tomography. First it will be shown how the full angular distribution of the photocurrent (momentum map) from a specific orbital is related to the real space orbital by a Fourier transform. Examples of the reconstruction of 5A orbitals will be given and the procedure for recovering the lost phase information will be outlined. We then move to examples of sexiphenyl where we interrogate the original band maps of thick sexiphenyl in the light of our understanding of orbital tomography that has developed since then. With comparison to theoretical simulations of the molecular band maps, the molecular conformation and orientation will be concluded. New results for the sexiphenyl monolayer on Al(1 1 0) will then be presented. From the band maps it will be concluded that the molecule is planarised and adopts a tilted geometry. Finally the momentum maps down to HOMO-11 will be analysed and real space orbitals reconstructed. PMID:26752804

  5. Lagrange-Function Approach to Real-Space Order-N Electronic-Structure Calculations

    SciTech Connect

    Varga, Kalman; Pantelides, Sokrates T

    2006-01-01

    The Lagrange functions are a family of analytical, complete, and orthonormal basis sets that are suitable for efficient, accurate, real-space, order-N electronic-structure calculations. Convergence is controlled by a single monotonic parameter, the dimension of the basis set, and computational complexity is lower than that of conventional approaches. In this paper we review their construction and applications in linearscaling electronic-structure calculations.

  6. Direct and Semi-direct Radiative Responses to Observation-Constrained Aerosol Absorption over S Asia

    NASA Astrophysics Data System (ADS)

    Feng, Y.; Kotamarthi, V. R.; Manoharan, V.

    2013-12-01

    Climate impacts of aerosols over S. Asia have been studied extensively in both models and observations. However, discrepancies between observed and modeled aerosol concentrations and optical properties have hindered our understanding of the aerosol influences on the regional monsoon circulation and rainfall. We present an in-depth examination of direct and semi-direct radiative responses due to aerosols on the latitudinal heating gradient and cloud distribution, with observational constraints on solar absorption by aerosols. Regional distributions of aerosol concentration are simulated with a 12-km regional climate model (WRF-Chem) driven by the NCEP analysis data from August 2011 to March 2012. During this time period, the ground-based measurements of aerosols and clouds, surface radiation, water vapor, and temperature were taken at Nainital (29.38°N, 79.45°E) during the DOE Ganges Valley Experiment (GVAX). This data set, which is available at high temporal resolution (hourly), is used to evaluate and constrain the simulated wavelength dependence of aerosol absorption and the correlation with changes in surface radiation, cloud base height and liquid water content for the entire post-monsoon period. The analysis is extended to a regional scale by comparing with satellite observation of absorbing aerosol optical depth (OMI) and cloud properties (MODIS). Preliminary results show good agreement in monthly variations of simulated and observed aerosol optical depth (AOD) except during periods of high observed AOD. Initial analysis indicates a possible local origin for the aerosols that is not captured in the model at present. Furthermore, analysis of the spectrally resolved aerosol absorption measurements indicates that these local aerosols exhibit strong absorption in near-UV and visible wavelengths. A large fraction of increased absorption during October and November (local fall harvest season) is attributable to the super-micron sized aerosol particles. In

  7. Direct observations of field-induced assemblies in magnetite ferrofluids

    SciTech Connect

    Mousavi, N. S. Susan; Khapli, Sachin D.; Kumar, Sunil

    2015-03-14

    Evolution of microstructures in magnetite-based ferrofluids with weak dipolar moments (particle size ≤ 10 nm) is studied with an emphasis on examining the effects of particle concentration (ϕ) and magnetic field strength (H) on the structures. Nanoparticles are dispersed in water at three different concentrations, ϕ = 0.15%, 0.48%, and 0.59% (w/v) [g/ml%] and exposed to uniform magnetic fields in the range of H = 0.05–0.42 T. Cryogenic transmission electron microscopy is employed to provide in-situ observations of the field-induced assemblies in such systems. As the magnetic field increases, the Brownian colloids are observed to form randomly distributed chains aligned in the field direction, followed by head-to-tail chain aggregation and then lateral aggregation of chains termed as zippering. By increasing the field in low concentration samples, the number of chains increases, though their length does not change dramatically. Increasing concentration increases the length of the linear particle assemblies in the presence of a fixed external magnetic field. Thickening of the chains due to zippering is observed at relatively high fields. Through a systematic variation of concentration and magnetic field strength, this study shows that both magnetic field strength and change in concentration can strongly influence formation of microstructures even in weak dipolar systems. Additionally, the results of two commonly used support films on electron microscopy grids, continuous carbon and holey carbon films, are compared. Holey carbon film allows us to create local regions of high concentrations that further assist the development of field-induced assemblies. The experimental observations provide a validation of the zippering effect and can be utilized in the development of models for thermophysical properties such as thermal conductivity.

  8. Direct observations of field-induced assemblies in magnetite ferrofluids

    PubMed Central

    Mousavi, N. S. Susan

    2015-01-01

    Evolution of microstructures in magnetite-based ferrofluids with weak dipolar moments (particle size ≤ 10 nm) is studied with an emphasis on examining the effects of particle concentration (ϕ) and magnetic field strength (H) on the structures. Nanoparticles are dispersed in water at three different concentrations, ϕ = 0.15%, 0.48%, and 0.59% (w/v) [g/ml%] and exposed to uniform magnetic fields in the range of H = 0.05–0.42 T. Cryogenic transmission electron microscopy is employed to provide in-situ observations of the field-induced assemblies in such systems. As the magnetic field increases, the Brownian colloids are observed to form randomly distributed chains aligned in the field direction, followed by head-to-tail chain aggregation and then lateral aggregation of chains termed as zippering. By increasing the field in low concentration samples, the number of chains increases, though their length does not change dramatically. Increasing concentration increases the length of the linear particle assemblies in the presence of a fixed external magnetic field. Thickening of the chains due to zippering is observed at relatively high fields. Through a systematic variation of concentration and magnetic field strength, this study shows that both magnetic field strength and change in concentration can strongly influence formation of microstructures even in weak dipolar systems. Additionally, the results of two commonly used support films on electron microscopy grids, continuous carbon and holey carbon films, are compared. Holey carbon film allows us to create local regions of high concentrations that further assist the development of field-induced assemblies. The experimental observations provide a validation of the zippering effect and can be utilized in the development of models for thermophysical properties such as thermal conductivity. PMID:25829566

  9. Direct observations of field-induced assemblies in magnetite ferrofluids

    NASA Astrophysics Data System (ADS)

    Mousavi, N. S. Susan; Khapli, Sachin D.; Kumar, Sunil

    2015-03-01

    Evolution of microstructures in magnetite-based ferrofluids with weak dipolar moments (particle size ≤ 10 nm) is studied with an emphasis on examining the effects of particle concentration (ϕ) and magnetic field strength (H) on the structures. Nanoparticles are dispersed in water at three different concentrations, ϕ = 0.15%, 0.48%, and 0.59% (w/v) [g/ml%] and exposed to uniform magnetic fields in the range of H = 0.05-0.42 T. Cryogenic transmission electron microscopy is employed to provide in-situ observations of the field-induced assemblies in such systems. As the magnetic field increases, the Brownian colloids are observed to form randomly distributed chains aligned in the field direction, followed by head-to-tail chain aggregation and then lateral aggregation of chains termed as zippering. By increasing the field in low concentration samples, the number of chains increases, though their length does not change dramatically. Increasing concentration increases the length of the linear particle assemblies in the presence of a fixed external magnetic field. Thickening of the chains due to zippering is observed at relatively high fields. Through a systematic variation of concentration and magnetic field strength, this study shows that both magnetic field strength and change in concentration can strongly influence formation of microstructures even in weak dipolar systems. Additionally, the results of two commonly used support films on electron microscopy grids, continuous carbon and holey carbon films, are compared. Holey carbon film allows us to create local regions of high concentrations that further assist the development of field-induced assemblies. The experimental observations provide a validation of the zippering effect and can be utilized in the development of models for thermophysical properties such as thermal conductivity.

  10. Direct Observation of Smectic Layers in Thermotropic Liquid Crystals

    NASA Astrophysics Data System (ADS)

    Zhang, C.; Gao, M.; Diorio, N.; Weissflog, W.; Baumeister, U.; Sprunt, S.; Gleeson, J. T.; Jákli, A.

    2012-09-01

    We demonstrate subnanometer resolution cryo-TEM imaging of smectic layers in the smectic and nematic phases of two bent-core liquid crystals. Our results show perfect periodicity over several hundred layers in the smectic phase and also provide the first direct evidence of smectic clusters on length scales of 30-50 nm in a nematic liquid crystal. The results are corroborated with small angle x-ray scattering measurements. The observation of smectic clusters in the nematic phase is of special interest in bent-core liquid crystals, where the smectic clusters are stable over wide temperature ranges, in contrast to the well-known pretransitional “cybotactic” clusters that appear only in the vicinity of a bulk smectic phase. The means to characterize and manipulate this nanoscale molecular order could open up completely new liquid crystal-based technologies.

  11. Enabling direct nanoscale observations of biological reactions with dynamic TEM

    PubMed Central

    Evans, James E.; Browning, Nigel D.

    2013-01-01

    Biological processes occur on a wide range of spatial and temporal scales: from femtoseconds to hours and from angstroms to meters. Many new biological insights can be expected from a better understanding of the processes that occur on these very fast and very small scales. In this regard, new instruments that use fast X-ray or electron pulses are expected to reveal novel mechanistic details for macromolecular protein dynamics. To ensure that any observed conformational change is physiologically relevant and not constrained by 3D crystal packing, it would be preferable for experiments to utilize small protein samples such as single particles or 2D crystals that mimic the target protein's native environment. These samples are not typically amenable to X-ray analysis, but transmission electron microscopy has imaged such sample geometries for over 40 years using both direct imaging and diffraction modes. While conventional transmission electron microscopes (TEM) have visualized biological samples with atomic resolution in an arrested or frozen state, the recent development of the dynamic TEM (DTEM) extends electron microscopy into a dynamic regime using pump-probe imaging. A new second-generation DTEM, which is currently being constructed, has the potential to observe live biological processes with unprecedented spatiotemporal resolution by using pulsed electron packets to probe the sample on micro- and nanosecond timescales. This article reviews the experimental parameters necessary for coupling DTEM with in situ liquid microscopy to enable direct imaging of protein conformational dynamics in a fully hydrated environment and visualize reactions propagating in real time. PMID:23315566

  12. Direct observation of a sand-propped hydraulic fracture

    SciTech Connect

    Warpinski, N.R.; Tyler, L.D.; Vollendorf, W.C.; Northrop, D.A.

    1981-05-01

    An experiement has been conducted in which a sand-propped hydraulic fracture is created and then mined back to observe fracture behavior and proppant distribution. Three stages of different colored, different concentration sand transported by a water-based gel were injected into a volcanic ash fall tuff formation at a depth of 1400 ft near an existing tunnel complex. The resultant fracture was subsequently mined back for direct observation and photographed and mapped. This particular region was highly faulted and exhibited significant changes in in situ stress magnitudes across the faults; it is felt that this stress distribution resulted in very complex fracture behavior and growth processes. The fracture was bounded on one wing by a fault which was only a few feet from the wellbore. The fracture terminated on top at an unbonded bedding plane. Most of the injected volume of sand and fluid was forced downward, considerably below the elevation where the fracture was initiated. The different colors of sand were randomly distributed, although they were usually found in distinct layers, but this may have been due to the complex growth process. At different locations the fracture was found to have considerable variations in width; from several sand grains wide (1 cm) to devoid of sand altogether (2 to 3 mm average).

  13. New direct Overflow Observations at the Denmark Strait Sill

    NASA Astrophysics Data System (ADS)

    Macrander, A.; Send, U.; Kaese, R. H.

    2003-04-01

    As a key region of the global thermohaline circulation, the Denmark Strait between Iceland and Greenland is the pathway for the densest component of the North Atlantic Deep Water, the Denmark Strait Overflow Water (DSOW). Since 1999, it has been probed with acoustic instruments in the SFB 460 program lead by the Institut f&{uml;u}r Meereskunde Kiel. The data from bottom Pressure/ Inverted Echo Sounders (PIES) and ADCP current profilers, deployed in a model-optimized mooring array at the Denmark Strait sill, resolve both spatial and temporal variability of the overflow. After recovery of moorings in August 2002, the time series available have a total length of 27 months. The data allow for transport estimates based on direct ADCP measurements and integrating geostrophic PIES observations. Including model comparisons, a mean DSOW transport of 3.0 Sv is calculated with an accuracy of ± 0.1 Sv. A statistical analysis with autoregressive moving average models has improved the information about integral time scales and dominant frequencies of the overflow variability. Until now, estimates of the mean DSOW throughflow have been remarkably stable. The PIES observations show a close correlation between sea surface height anomalies and the DSOW plume thickness. This opens a perspective for long term monitoring by remote sensing with relevance for climate change. First comparisons of in-situ measurements and satellite altimetry are presented.

  14. Direct observation of episodic growth in an abyssal xenophyophore (Protista)

    NASA Astrophysics Data System (ADS)

    Gooday, A. J.; Bett, B. J.; Pratt, D. N.

    1993-11-01

    Three specimens of the xenophyophore Reticulammina labyrinthica were photographed on the Madeira Abyssal Plain (31°6.1'N, 21°10.9'W; 4944 m) using the Bathysnap time-lapse camera system. During the 8 month observation period, the specimens underwent an estimated 3-10 fold increase in volume. Growth occurred episodically in several distinct phases, each lasting 2-3 days, during which sediment was collected and incorporated into the test. These phases were separated by fairly regular periods of about 2 months when the organisms showed little obvious activity. The growth phases were approximately synchronous between specimens. However, it is not clear whether the periodicity and apparent synchronization of these events resulted from an external (environmental) cue or whether growth is internally controlled and the synchronization arose by chance. These unique observations, which represent the first direct measurement of growth in any abyssal organism living outside a hydrothermal vent field, suggest that xenophyophores combine test growth with deposit feeding. The tests appear to grow more quickly, and to be more active, dynamic structures, than previously believed.

  15. Geoelectrical and colour tracer monitoring with direct push observation wells

    NASA Astrophysics Data System (ADS)

    Dietrich, P.; Dietze, M.; Hoffmann, R.

    2003-04-01

    Borehole - borehole tracer tests are a hydrogeological method to characterize groundwater flow parameters. Breakthrough curves of colour tracers, injected in one borehole and measured in one or more observation wells downstream of the first, give exact but locally very limited information about groundwater flow direction and velocity. At heterogeneous subsurface conditions a large number of investigation wells and frequent sample drawing is necessary to assure recovery of the tracer, which makes the experiments very expensive. Yet, these experiments often fail or do not give sufficient information about the flow regime in the aquifer. Monitoring of salt tracers with geoelectrical methods gives an integral information about flow parameters which in most cases is a more useful information. Especially in deeper aquifers though, it is a problem to place a high number of electrodes close enough to the moving tracer to gain precise results. To assess the mentioned problems we carried out a combined geoelectrical salt and conventional colour tracer test. Our equipment for both tests was placed in direct push boreholes, which are a lot cheaper than groundwater wells, quickly installed and much less invasive. The boreholes were installed at 10 meters distance on a 120 m long profile, to form a control plane 25 meters downstream of the tracer injection. The injection took place in three different groundwater wells at a time, to provide for a good overview of the flow regime along the control plane. We show, how integral information from the geoelectrical tracer tests can be used to design a refined borehole placement for a successful colour tracer test. Our results, quite different from groundwater modelling results, strongly support the necessity to carry out precise field tracer tests for the investigation of groundwater flow parameters.

  16. Microcrack closure in rocks under stress: direct observation

    SciTech Connect

    Batzle, M.L.; Simmons, G.; Siegfried, R.W.

    1980-12-10

    Microcrack closure in rocks under increasing stress was observed directly with a scanning electron microscope. Uniaxial stresses to 300 bars were applied with a small hydraulic press to specimens of Westerly (RI) granite, both unheated and previously heat cycled to 500/sup 0/C, and of Frederick (MD) diabase, heat cycled to 700/sup 0/C. Closure characteristics (rate, final closure pressure, etc.) depend on crack orientation, shape, surface roughness, and on the nature of fracture intersections and interactions. Cracks perpendicular to the applied stress closed while those parallel to the stress tended to open. Long, narrow cracks (low aspect ratio) closed at relatively low pressures. At some intersections, one fracture would open while another simultaneously closed, depending upon their orientations. Many fractures closed uniformly even though offset by other fractures. Local stress concentrations often caused new fracturing at low applied stress. Some fractures were propped open until material lodged inside was crushed. Significant irreversible damage occurred during the first stress cycle. Closure characteristics varied significantly among the samples. The unheated granite has cracks with rough, pitted, and mismatched walls. Only partial closure occurred under stress with many sections remaining open. Crack porosity is reduced but continues to be interconnected. Fractures in the preheated granite and diabase are also irregular, but the walls are well-matched and closure is nearly complete. The cracks in the heated granite closed at lower stresses than in the diabase. As the maximum stress was approached for the heated granite, new transgranular cracks formed and preexisting cracks were enlarged. The variations in closure rate and character were also observed in strain measurements.

  17. Method for observing phase objects without halos and directional shadows

    NASA Astrophysics Data System (ADS)

    Suzuki, Yoshimasa; Kajitani, Kazuo; Ohde, Hisashi

    2015-03-01

    A new microscopy method for observing phase objects without halos and directional shadows is proposed. The key optical element is an annular aperture at the front focal plane of a condenser with a larger diameter than those used in standard phase contrast microscopy. The light flux passing through the annular aperture is changed by the specimen's surface profile and then passes through an objective and contributes to image formation. This paper presents essential conditions for realizing the method. In this paper, images of colonies formed by induced pluripotent stem (iPS) cells using this method are compared with the conventional phase contrast method and the bright-field method when the NA of the illumination is small to identify differences among these techniques. The outlines of the iPS cells are clearly visible with this method, whereas they are not clearly visible due to halos when using the phase contrast method or due to weak contrast when using the bright-field method. Other images using this method are also presented to demonstrate a capacity of this method: a mouse ovum and superimposition of several different images of mouse iPS cells.

  18. Direct observations of the ACC transport across the Kerguelen Plateau

    NASA Astrophysics Data System (ADS)

    Park, Young-Hyang; Vivier, Frédéric; Roquet, Fabien; Kestenare, Elodie

    2009-09-01

    Major pathways and transport of the Antarctic Circumpolar Current (ACC) crossing the Kerguelen Plateau were directly observed during the 2009 Track cruise. The net eastward transport to the south of the Heard/McDonald Islands is estimated as 56 Sv (1 Sv = 106 m3 s-1), 43 Sv of which is tightly channelled into the Fawn Trough that appears as a predominant cross-plateau gateway of circumpolar flow associated with the Southern ACC Front (SACCF). There are also two secondary passages, with one (6 Sv) being attached to the nearshore slope just south of the Heard/McDonald Islands and the other (7 Sv) passing through the northern Princess Elizabeth Trough. With an additional 2 Sv inferred just south of the Kerguelen Islands, the transport across the entire plateau amounts to 58 Sv, accounting for ˜40% of the total ACC transport transiting through the region, 147-152 Sv, quantities consistent with other independent estimates in the Indian sector of the Southern Ocean.

  19. Direct observation of dispersion and mixing processes in microfluidic systems.

    PubMed

    Takabayashi, Yoshimasa; Fujino, Tatsuya; Korenaga, Takashi

    2008-01-01

    The diffusion phenomena, dispersion and mixing processes of the sample solute (Basic Blue 3 dye and KMnO4 aqueous solutions) were directly observed in laminar flow in glass microchannels. Quasi steady-state UV-visible absorption spectrometry was carried out using CCD camera images of the colored sample dispersion and mixing processes, and the absorbance change (DeltaAbs) was discussed based on the dimensionless parameter, tau which represents the flow time renormalized to the diffusion coefficient and the channel cross section. It was found that DeltaAbs showed almost the same tau dependence, even though the solutions and the microchannel sizes differed in laminar flow, if the microchannel fabrication method was the same. On the basis of this fundamental result, the total microchannel length required for the reaction of 2,3-diaminonaphthalene (DAN) and NO2- at a flow rate of 2 microL min(-1) was calculated, and the obtained value ( approximately 100 mm) showed very good agreement with our previous microchip research. It was concluded that both results were useful for designing the microchannel width, depth and length to control the chemical reaction time in recent microfluidic systems. PMID:18997379

  20. Direct observation of interface instability during crystal growth

    NASA Technical Reports Server (NTRS)

    Tiller, W. A.; Feigelson, R. S.; Elwell, D.

    1982-01-01

    The general aim of this investigation was to study interface stability and solute segregation phenomena during crystallization of a model system. Emphasis was to be placed on direct observational studies partly because this offered the possibility at a later stage of performing related experiments under substantially convection-free conditions in the space shuttle. The major achievements described in this report are: (1) the development of a new model system for fundamental studies of crystal growth from the melt and the measurement of a range of material parameters necessary for comparison of experiment with theory. (2) The introduction of a new method of measuring segregation coefficient using absorption of a laser beam by the liquid phase. (3) The comparison of segregation in crystals grown by gradient freezing and by pulling from the melt. (4) The introduction into the theory of solute segregation of an interface field term and comparison with experiment. (5) The introduction of the interface field term into the theories of constitutional supercooling and morphological stability and assessment of its importance.

  1. Direct Observation of Subunit Exchange along Mature Vimentin Intermediate Filaments

    PubMed Central

    Nöding, Bernd; Herrmann, Harald; Köster, Sarah

    2014-01-01

    Actin filaments, microtubules, and intermediate filaments (IFs) are central elements of the metazoan cytoskeleton. At the molecular level, the assembly mechanism for actin filaments and microtubules is fundamentally different from that of IFs. The former two types of filaments assemble from globular proteins. By contrast, IFs assemble from tetrameric complexes of extended, half-staggered, and antiparallel oriented coiled-coils. These tetramers laterally associate into unit-length filaments; subsequent longitudinal annealing of unit-length filaments yields mature IFs. In vitro, IFs form open structures without a fixed number of tetramers per cross-section along the filament. Therefore, a central question for the structural biology of IFs is whether individual subunits can dissociate from assembled filaments and rebind at other sites. Using the fluorescently labeled IF-protein vimentin for assembly, we directly observe and quantitatively determine subunit exchange events between filaments as well as with soluble vimentin pools. Thereby we demonstrate that the cross-sectional polymorphism of donor and acceptor filaments plays an important role. We propose that in segments of donor filaments with more than the standard 32 molecules per cross-section, subunits are not as tightly bound and are predisposed to be released from the filament. PMID:25517157

  2. Modelling 1-minute directional observations of the global irradiance.

    NASA Astrophysics Data System (ADS)

    Thejll, Peter; Pagh Nielsen, Kristian; Andersen, Elsa; Furbo, Simon

    2016-04-01

    Direct and diffuse irradiances from the sky has been collected at 1-minute intervals for about a year from the experimental station at the Technical University of Denmark for the IEA project "Solar Resource Assessment and Forecasting". These data were gathered by pyrheliometers tracking the Sun, as well as with apertured pyranometers gathering 1/8th and 1/16th of the light from the sky in 45 degree azimuthal ranges pointed around the compass. The data are gathered in order to develop detailed models of the potentially available solar energy and its variations at high temporal resolution in order to gain a more detailed understanding of the solar resource. This is important for a better understanding of the sub-grid scale cloud variation that cannot be resolved with climate and weather models. It is also important for optimizing the operation of active solar energy systems such as photovoltaic plants and thermal solar collector arrays, and for passive solar energy and lighting to buildings. We present regression-based modelling of the observed data, and focus, here, on the statistical properties of the model fits. Using models based on the one hand on what is found in the literature and on physical expectations, and on the other hand on purely statistical models, we find solutions that can explain up to 90% of the variance in global radiation. The models leaning on physical insights include terms for the direct solar radiation, a term for the circum-solar radiation, a diffuse term and a term for the horizon brightening/darkening. The purely statistical model is found using data- and formula-validation approaches picking model expressions from a general catalogue of possible formulae. The method allows nesting of expressions, and the results found are dependent on and heavily constrained by the cross-validation carried out on statistically independent testing and training data-sets. Slightly better fits -- in terms of variance explained -- is found using the purely

  3. Direct observation of optical precursors in a cold potassium gas

    NASA Astrophysics Data System (ADS)

    Jeong, Heejeong

    This thesis considers how an electromagnetic field propagates through a dispersive linear dielectric in the case when the field is turned on suddenly. It has been predicted nearly 100 years ago that the point in the waveform where the field first turns on (the front) propagates precisely at the speed of light in vacuum. Furthermore, it is predicted that distinct wave-packets develop after the front, but before the arrival of the main part of the field (the main signal). These wave-packets are known as optical precursors. It was believed that precursors are an ultra-fast phenomena, persisting only for a few optical cycles, and that they have an exceedingly small amplitude. I describe a method to increase the duration of optical precursors into the nanosecond range using a dielectric with a narrow resonance. I also show how to increase the precursor amplitude by tuning the carrier frequency of the field near the resonance frequency of the oscillators making up the dielectric medium. The field emerging from the dielectric consists of a several-nanosecond-long spike occurring immediately after the front with near 100% transmission, which subsequently decays to a constant value expected from Beer's Law of absorption. I demonstrate, using a modern asymptotic theory, that the spike consists of both the Sommerfeld and Brillouin precursors. Thus, my measurement is the first direct observation of optical precursors. The precursor research might be useful for imaging applications requiring penetrating optical radiation, such as in biological systems, or in optical communication systems. While the asymptotic theory explains qualitatively my observations, I find that there are large quantitative disagreements. I hypothesize that these errors are due to the fact that I use a weakly-dispersive narrow-resonance medium for which this theory has never been tested. I suggest empirical fixes to the theory by comparison to my data. I also compare the asymptotic theory and data to a

  4. Direct Observations Of Microbial Activity At Extreme Pressures

    NASA Astrophysics Data System (ADS)

    Sharma, A.; Scott, J. H.; Cody, G. D.; Fogel, M.; Hazen, R. M.; Hemley, R. J.; Huntress, W. T.

    2002-12-01

    Microbial communities adapt to a wide range of pressures, temperatures, salinities, pH, and oxidation states. Although, significant attention has been focused on the effects of high and low temperature on physiology, there is some evidence that elevated pressure may also manifest interesting effects on cellular physiology, such as enzyme inactivation, cell-membrane breach, and suppression of protein interactions with various substrates. However, exactly how these factors affect intact cells is not well understood. In this study, we have adapted diamond anvil cells to explore the effects of high pressure on microbial life. We used the rate of microbial formate oxidation as a probe of metabolic viability. The utilization of formate by microorganisms is a fundamental metabolic process in anaerobic environments. We monitored in-situ microbial formate oxidation via molecular spectroscopy for Shewanella oneidensis strain MR1 and Escherichia coli strain MG1655 at high pressures (68 to 1060 MPa). At pressures of 1200 to 1600 MPa, living bacteria resided in fluid inclusions in ice-VI crystals and continued to be viable upon subsequent release to ambient pressures (0.1 MPa). Furthermore, direct microscopic observations indicate that these cells maintain their ability for cellular division upon decompression from such high pressures. Evidence of microbial viability and activity at these extreme pressures expands by an order of magnitude the range of conditions representing the habitable zone in the solar system. These results imply that pressure may not be a significant impediment to life. The maximum pressure explored in this work is equivalent to a depth of ~ 50 km below Earth's crust, or ~ 160 km in a hypothetical ocean. The pressures encountered at the depths of thick ice caps and deep crustal subsurface may not be a limiting factor for the existence of life. This suggests that deep (water/ice) layers of Europa, Callisto, or Ganymede, subduction zones on Earth, and the

  5. Tunable Real Space Transfer Oscillator by Delayed Feedback Control of Chaos

    NASA Astrophysics Data System (ADS)

    Cooper, D. P.; Schöll, E.

    1995-03-01

    It is demonstrated numerically that by using Pyragas' method of chaos self-control a stable semiconductor oscillator can be designed based on driven real-space transfer oscillations in a modulation-doped heterostructure. By application of a small time-continuous delayed feedback voltage control signal, different unstable periodic orbits embedded in the chaotic attractor can be stabilized. Thus different modes of self-generated periodic voltage oscillations can be selected by choosing an appropriate delay time. This provides tunability to different discrete frequencies.

  6. The effects of spatial sampling on random noise for gyrokinetic PIC simulations in real space

    NASA Astrophysics Data System (ADS)

    Kiviniemi, T. P.; Sauerwein, U.

    2016-06-01

    We study the effects of cloud-in-cell sampling and gyroaveraging on random noise in real space (as opposed to the common Fourier space presentation), and show that together, these can reduce the noise by a factor of 3 compared to nearest grid point sampling without gyroaveraging. Hence an order of magnitude less test particles are needed for the given noise level. We derive equations for noise level as a function of Larmor radius and also investigate the effect of gyroaveraging on noise in local gradients. The effect of number of gyropoints on noise is also discussed.

  7. A simple real space density functional theory of freezing, with implications for the glass transition

    SciTech Connect

    Stoessel, J.P.; Wolynes, P.G.

    1989-01-01

    With analogy to the ''highly accurate'' summation of cluster diagrams for hard sphere fluids a la Carnahan-Starling, we present a simple, real space free energy density functional for arbitrary potential systems, based on the generalization of the second virial coefficient to inhomogeneous systems which, when applied to hard sphere, soft-sphere, and Lennard-Jones freezing, yield melting characteristics in remarkable agreement with experiment. Implications for the liquid-glass transition in all three potential systems are also presented. 45 refs., 7 figs., 1 tab.

  8. High-stability Finite-Length Silicon Nanowires: A Real Space Theoretical Study

    NASA Astrophysics Data System (ADS)

    Koukaras, E. N.; Zdetsis, A. D.; Garoufalis, C. S.

    2007-12-01

    We demonstrate by real-space density functional calculations that unreconstructed low-stability finite size hydrogenated silicon nanowires could bend through relaxation under the influence of internal strains, contrary to high-stability "magic" nanowires. The strains and the resulting bending depend on the distribution and orientation of silicon dihydrides on the nanowire's surface. This and other related effects cannot be accounted for by the usual k-space supercell techniques. We also demonstrate that reconstructed (2×1) nanowires, although bend they are practically as stable as the "magic" unreconstructed nanowires. Our calculations are in full agreement with the experimental work of Ma et al. [Science 299, 1874, (2003)].

  9. Real space renormalization group and totalitarian paradox of majority rule voting

    NASA Astrophysics Data System (ADS)

    Galam, Serge

    2000-09-01

    The effect of majority rule voting in hierarchical structures is studied using the basic concepts from real space renormalization group. It shows in particular that a huge majority can be self-eliminated while climbing up the hierarchy levels. This majority democratic self-elimination articulates around the existence of fixed points in the voting flow. An unstable fixed point determines the critical threshold to full and total power. It can be varied from 50% up to 77% of initial support. Our model could shed new light on the last century eastern European communist collapse.

  10. Diamagnetism of real-space pairs above T(c) in hole doped cuprates.

    PubMed

    Alexandrov, A S

    2010-10-27

    The nonlinear normal state diamagnetism reported by Li et al (2010 Phys. Rev. B 81 054510) is shown to be incompatible with a claimed Cooper pairing and vortex liquid above the resistive critical temperature. However, it is perfectly compatible with the normal state Landau diamagnetism of real-space composed bosons, which provides a description of the nonlinear magnetization curves of the less anisotropic cuprates La-Sr-Cu-O (LSCO) and Y-Ba-Cu-O (YBCO) as well as for strongly anisotropic bismuth-based cuprates over the whole range of available magnetic fields. PMID:21403318

  11. A software tool to analyze clinical workflows from direct observations.

    PubMed

    Schweitzer, Marco; Lasierra, Nelia; Hoerbst, Alexander

    2015-01-01

    Observational data of clinical processes need to be managed in a convenient way, so that process information is reliable, valid and viable for further analysis. However, existing tools for allocating observations fail in systematic data collection of specific workflow recordings. We present a software tool which was developed to facilitate the analysis of clinical process observations. The tool was successfully used in the project OntoHealth, to build, store and analyze observations of diabetes routine consultations. PMID:26262417

  12. Symmetry-respecting real-space renormalization for the quantum Ashkin-Teller model

    NASA Astrophysics Data System (ADS)

    O'Brien, Aroon; Bartlett, Stephen D.; Doherty, Andrew C.; Flammia, Steven T.

    2015-10-01

    We use a simple real-space renormalization-group approach to investigate the critical behavior of the quantum Ashkin-Teller model, a one-dimensional quantum spin chain possessing a line of criticality along which critical exponents vary continuously. This approach, which is based on exploiting the on-site symmetry of the model, has been shown to be surprisingly accurate for predicting some aspects of the critical behavior of the quantum transverse-field Ising model. Our investigation explores this approach in more generality, in a model in which the critical behavior has a richer structure but which reduces to the simpler Ising case at a special point. We demonstrate that the correlation length critical exponent as predicted from this real-space renormalization-group approach is in broad agreement with the corresponding results from conformal field theory along the line of criticality. Near the Ising special point, the error in the estimated critical exponent from this simple method is comparable to that of numerically intensive simulations based on much more sophisticated methods, although the accuracy decreases away from the decoupled Ising model point.

  13. Real space refinement of acto-myosin structures from sectioned muscle.

    PubMed

    Chen, L F; Blanc, E; Chapman, M S; Taylor, K A

    2001-01-01

    We have adapted a real space refinement protocol originally developed for high-resolution crystallographic analysis for use in fitting atomic models of actin filaments and myosin subfragment 1 (S1) to 3-D images of thin-sectioned, plastic-embedded whole muscle. The rationale for this effort is to obtain a refinement protocol that will optimize the fit of the model to the density obtained by electron microscopy and correct for poor geometry introduced during the manual fitting of a high-resolution atomic model into a lower resolution 3-D image. The starting atomic model consisted of a rigor acto-S1 model obtained by X-ray crystallography and helical reconstruction of electron micrographs. This model was rebuilt to fit 3-D images of rigor insect flight muscle at a resolution of 7 nm obtained by electron tomography and image averaging. Our highly constrained real space refinement resulted in modest improvements in the agreement of model and reconstruction but reduced the number of conflicting atomic contacts by 70% without loss of fit to the 3-D density. The methodology seems to be well suited to the derivation of stereochemically reasonable atomic models that are consistent with experimentally determined 3-D reconstructions computed from electron micrographs. PMID:11472093

  14. Real-Space Approach to Electronic Structure and Stability in Multi-Component Alloys.

    NASA Astrophysics Data System (ADS)

    Turchi, P. E. A.; Mayou, D.; Julien, J. P.

    1996-03-01

    A recently developed real-space approach based on the extended recursion technique and the coherent potential approximation is applied to solve a tight-binding Hamiltonian which describes chemical disorder in multi-component alloys. Effective interactions as defined in the embedded cluster method, and which describe ordering tendencies in alloys, are also obtained with this real-space approach combined with an "orbital peeling" technique. After a formal introduction, the results of this new approach in terms of densities of states, band-energies and effective interactions are presented for pseudo-binary and ternary transition metal alloys characterized by spd-electrons. The results compare extremely well with those obtained by a standard k-space method. Formal and practical advantages of this new approach, and in particular its application to the study of amorphous alloys will be discussed. Work performed under the auspices of the U. S. Department of Energy by the Lawrence Livermore National Laboratory under contract No. W-7405-ENG-48. Partial support from NATO under contract No. CRG-941028 is gratefully acknowledged.

  15. Real-Space Evidence of Rare Guanine Tautomer Induced by Water.

    PubMed

    Zhang, Chi; Xie, Lei; Ding, Yuanqi; Sun, Qiang; Xu, Wei

    2016-03-22

    Water is vital for life as a solvent. Specifically, it has been well established that DNA molecules are hydrated in vivo, and water has been found to be responsible for the presence of some noncanonical DNA base tautomers. Theoretical investigations have shown that the existence of water could significantly influence the relative stability of different DNA base tautomers, reduce the energy barrier of tautomeric conversions, and thus promote the formation of some rare base tautomers. In this work, we report the real-space experimental evidence of rare base tautomers. From the high-resolution scanning tunneling microscopy imaging, we surprisingly find the formation of the rare guanine tautomer, i.e., G/(3H,7H) form, on the Au(111) surface by delicately introducing water into the system. The key to the formation of this rare tautomer is proposed to be the "water bridge" that largely reduces the energy barriers of intramolecular proton-transfer processes as revealed by extensive density functional theory calculations. The real-space experimental evidence and the proposed mechanism make a step forward toward the fundamental understanding of water-assisted base tautomerization processes. PMID:26876579

  16. Modeling solvation effects in real-space and real-time within density functional approaches

    SciTech Connect

    Delgado, Alain; Corni, Stefano; Pittalis, Stefano; Rozzi, Carlo Andrea

    2015-10-14

    The Polarizable Continuum Model (PCM) can be used in conjunction with Density Functional Theory (DFT) and its time-dependent extension (TDDFT) to simulate the electronic and optical properties of molecules and nanoparticles immersed in a dielectric environment, typically liquid solvents. In this contribution, we develop a methodology to account for solvation effects in real-space (and real-time) (TD)DFT calculations. The boundary elements method is used to calculate the solvent reaction potential in terms of the apparent charges that spread over the van der Waals solute surface. In a real-space representation, this potential may exhibit a Coulomb singularity at grid points that are close to the cavity surface. We propose a simple approach to regularize such singularity by using a set of spherical Gaussian functions to distribute the apparent charges. We have implemented the proposed method in the OCTOPUS code and present results for the solvation free energies and solvatochromic shifts for a representative set of organic molecules in water.

  17. A real space auxiliary field approach to the BCS-BEC crossover

    NASA Astrophysics Data System (ADS)

    Tarat, Sabyasachi; Majumdar, Pinaki

    2015-03-01

    The BCS to BEC crossover in attractive Fermi systems is a prototype of weak to strong coupling evolution in many body physics. While extensive numerical results are available, and several approximate methods have been developed, most of these schemes are unsuccessful in the presence of spatial inhomogeneity. Such situations call for a real space approach that can handle large spatial scales and retain the crucial thermal fluctuations. With this in mind we present comprehensive results of a real space auxiliary field approach to the BCS to BEC crossover in the attractive Hubbard model in two dimensions. The scheme reproduces the Hartree-Fock-Bogoliubov ground state, and leads to a T c scale that agrees with quantum Monte Carlo estimates to within a few percent. We provide results on the T c , amplitude and phase fluctuations, density of states, and the momentum resolved spectral function, over the entire interaction and temperature window. We suggest how the method generalises successfully to the presence of disorder, trapping, and population imbalance.

  18. A Study of Student Teaching Using Direct Observation.

    ERIC Educational Resources Information Center

    Coker, Joan G.; Coker, Homer

    Thirty-three student teachers were observed in elementary school classrooms to determine if they manifested 16 interactive behaviors identified as desirable by college of education faculty. Teaching assistants used the Georgia Assessment of Teaching Effectiveness (GATE), an instrument which requires the observers to objectively record, but not…

  19. A new parallel plate shear cell for in situ real-space measurements of complex fluids under shear flow

    NASA Astrophysics Data System (ADS)

    Wu, Yu Ling; Brand, Joost H. J.; van Gemert, Josephus L. A.; Verkerk, Jaap; Wisman, Hans; van Blaaderen, Alfons; Imhof, Arnout

    2007-10-01

    We developed and tested a parallel plate shear cell that can be mounted on top of an inverted microscope to perform confocal real-space measurements on complex fluids under shear. To follow structural changes in time, a plane of zero velocity is created by letting the plates move in opposite directions. The location of this plane is varied by changing the relative velocities of the plates. The gap width is variable between 20 and 200μm with parallelism better than 1μm. Such a small gap width enables us to examine the total sample thickness using high numerical aperture objective lenses. The achieved shear rates cover the range of 0.02-103s-1. This shear cell can apply an oscillatory shear with adjustable amplitude and frequency. The maximum travel of each plate equals 1cm, so that strains up to 500 can be applied. For most complex fluids, an oscillatory shear with such a large amplitude can be regarded as a continuous shear. We measured the flow profile of a suspension of silica colloids in this shear cell. It was linear except for a small deviation caused by sedimentation. To demonstrate the excellent performance and capabilities of this new setup we examined shear induced crystallization and melting of concentrated suspensions of 1μm diameter silica colloids.

  20. A new parallel plate shear cell for in situ real-space measurements of complex fluids under shear flow.

    PubMed

    Wu, Yu Ling; Brand, Joost H J; van Gemert, Josephus L A; Verkerk, Jaap; Wisman, Hans; van Blaaderen, Alfons; Imhof, Arnout

    2007-10-01

    We developed and tested a parallel plate shear cell that can be mounted on top of an inverted microscope to perform confocal real-space measurements on complex fluids under shear. To follow structural changes in time, a plane of zero velocity is created by letting the plates move in opposite directions. The location of this plane is varied by changing the relative velocities of the plates. The gap width is variable between 20 and 200 microm with parallelism better than 1 microm. Such a small gap width enables us to examine the total sample thickness using high numerical aperture objective lenses. The achieved shear rates cover the range of 0.02-10(3) s(-1). This shear cell can apply an oscillatory shear with adjustable amplitude and frequency. The maximum travel of each plate equals 1 cm, so that strains up to 500 can be applied. For most complex fluids, an oscillatory shear with such a large amplitude can be regarded as a continuous shear. We measured the flow profile of a suspension of silica colloids in this shear cell. It was linear except for a small deviation caused by sedimentation. To demonstrate the excellent performance and capabilities of this new setup we examined shear induced crystallization and melting of concentrated suspensions of 1 microm diameter silica colloids. PMID:17979430

  1. Physical Activity Surveillance in Parks Using Direct Observation

    PubMed Central

    McKenzie, Thomas L.; Cohen, Deborah; Evenson, Kelly R.; Golinelli, Daniela; Hillier, Amy; Lapham, Sandra C.; Williamson, Stephanie

    2014-01-01

    Introduction Primary features of observational public health surveillance instruments are that they are valid, can reliably estimate physical activity behaviors, and are useful across diverse geographic settings and seasons by different users. Previous studies have reported the validity and reliability of Systematic Observation of Play and Recreation in Communities (SOPARC) to estimate park and user characteristics. The purpose of this investigation was to establish the use of SOPARC as a surveillance instrument and to situate the findings from the study in the context of the previous literature. Methods We collected data by using SOPARC for more than 3 years in 4 locations: Philadelphia, Pennsylvania; Columbus, Ohio; Chapel Hill/Durham, North Carolina; and Albuquerque, New Mexico during spring, summer, and autumn. Results We observed a total of 35,990 park users with an overall observer reliability of 94% (range, 85%–99%) conducted on 15% of the observations. We monitored the proportion of park users engaging in moderate-to-vigorous physical activity (MVPA) and found marginal differences in MVPA by both city and season. Park users visited parks significantly more on weekend days than weekdays and visitation rates tended to be lower during summer than spring. Conclusion SOPARC is a highly reliable observation instrument that can be used to collect data across diverse geographic settings and seasons by different users and has potential as a surveillance system. PMID:24384304

  2. DIRECT OBSERVATION OF A COROTATING INTERACTION REGION BY THREE SPACECRAFT

    SciTech Connect

    Tappin, S. J. Howard, T. A

    2009-09-10

    White-light observations of interplanetary disturbances have been dominated by interplanetary coronal mass ejections (ICMEs). This is because the other type of disturbance, the corotating interaction region (CIR), has proved difficult to detect using white-light imagers. Recently, a number of papers have appeared presenting CIR observations using the Solar Terrestrial Relations Observatory (STEREO) Heliospheric Imagers (HIs), but have mostly only focused on a single spacecraft and imager. In this paper, we present observations of a single CIR that was observed by all three current white-light heliospheric imagers (SMEI and both STEREO HIs), as well as the in situ instruments on both STEREO satellites and ACE. We begin with a discussion of the geometry of the CIR structure, and show how the apparent leading edge structure is expected to change as it corotates relative to the observer. We use these calculations to predict elongation-time profiles for CIRs of different speeds for each of the imagers, and also to predict the arrival times at the in situ instruments. We show that although all three measured different parts, they combine to produce a self-consistent picture of the CIR. Finally, we offer some thoughts on why CIRs have proved so difficult to detect in white-light heliospheric images.

  3. Real-space visualization of conformation-independent oligothiophene electronic structure

    NASA Astrophysics Data System (ADS)

    Taber, Benjamen N.; Kislitsyn, Dmitry A.; Gervasi, Christian F.; Mills, Jon M.; Rosenfield, Ariel E.; Zhang, Lei; Mannsfeld, Stefan C. B.; Prell, James S.; Briseno, Alejandro L.; Nazin, George V.

    2016-05-01

    We present scanning tunneling microscopy and spectroscopy (STM/STS) investigations of the electronic structures of different alkyl-substituted oligothiophenes on the Au(111) surface. STM imaging showed that on Au(111), oligothiophenes adopted distinct straight and bent conformations. By combining STS maps with STM images, we visualize, in real space, particle-in-a-box-like oligothiophene molecular orbitals. We demonstrate that different planar conformers with significant geometrical distortions of oligothiophene backbones surprisingly exhibit very similar electronic structures, indicating a low degree of conformation-induced electronic disorder. The agreement of these results with gas-phase density functional theory calculations implies that the oligothiophene interaction with the Au(111) surface is generally insensitive to molecular conformation.

  4. Scalable real space pseudopotential-density functional codes for materials applications

    NASA Astrophysics Data System (ADS)

    Chelikowsky, James R.; Lena, Charles; Schofield, Grady; Saad, Yousef; Deslippe, Jack; Yang, Chao

    2015-03-01

    Real-space pseudopotential density functional theory has proven to be an efficient method for computing the properties of matter in many different states and geometries, including liquids, wires, slabs and clusters with and without spin polarization. Fully self-consistent solutions have been routinely obtained for systems with thousands of atoms. However, there are still systems where quantum mechanical accuracy is desired, but scalability proves to be a hindrance, such as large biological molecules or complex interfaces. We will present an overview of our work on new algorithms, which offer improved scalability by implementing another layer of parallelism, and by optimizing communication and memory management. Support provided by the SciDAC program, Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Grant Numbers DE-SC0008877 (Austin) and DE-FG02-12ER4 (Berkeley).

  5. Real-space Green;s function calculations of Compton profiles

    SciTech Connect

    Mattern, Brian A.; Seidler, Gerald T.; Kas, Joshua J.; Pacold, Joseph I.; Rehr, John J.

    2012-09-05

    We report the development of a first-principles, real-space Green's function method for calculation of Compton profiles in the impulse approximation. For crystalline Be, we find excellent agreement with prior theoretical treatments requiring periodicity, with prior experimental measurements of the Compton profile, and with present measurements of the dynamical structure factor via nonresonant inelastic x-ray scattering (often also called x-ray Thomson scattering in the plasma physics community). We also find good agreement with prior experimental results for the Compton profile of Cu. This approach can be extended to disordered and very high-temperature systems, such as 'warm dense matter,' where theories presently used for the interpretation of inelastic x-ray scattering include condensed phase effects only at a perturbative level.

  6. Determination of screened Coulomb repulsion energies in organic molecular crystals: A real space approach

    NASA Astrophysics Data System (ADS)

    Cano-Cortés, Laura; Dolfen, Andreas; Merino, Jaime; Koch, Erik

    2010-06-01

    We present a general method for determining screened Coulomb parameters in molecular assemblies, in particular organic molecular crystals. This allows us to calculate the interaction parameters used in a generalized Hubbard model description of correlated organic materials. In such a model only the electrons in levels close to the Fermi level are included explicitly, while the effect of all other electrons is included as a renormalization of the model parameters. For the Coulomb integrals this renormalization is mainly due to screening. For molecular materials we can split the screening into intra- and inter-molecular screening. Here we demonstrate how the inter-molecular screening can be calculated by modeling the molecules by distributed point-polarizabilities and solving the resulting self-consistent electrostatic screening problem in real space. For the example of the quasi one-dimensional molecular metal TTF-TCNQ we demonstrate that the method gives remarkably accurate results.

  7. Computational Methodologies for Real-Space Structural Refinement of Large Macromolecular Complexes.

    PubMed

    Goh, Boon Chong; Hadden, Jodi A; Bernardi, Rafael C; Singharoy, Abhishek; McGreevy, Ryan; Rudack, Till; Cassidy, C Keith; Schulten, Klaus

    2016-07-01

    The rise of the computer as a powerful tool for model building and refinement has revolutionized the field of structure determination for large biomolecular systems. Despite the wide availability of robust experimental methods capable of resolving structural details across a range of spatiotemporal resolutions, computational hybrid methods have the unique ability to integrate the diverse data from multimodal techniques such as X-ray crystallography and electron microscopy into consistent, fully atomistic structures. Here, commonly employed strategies for computational real-space structural refinement are reviewed, and their specific applications are illustrated for several large macromolecular complexes: ribosome, virus capsids, chemosensory array, and photosynthetic chromatophore. The increasingly important role of computational methods in large-scale structural refinement, along with current and future challenges, is discussed. PMID:27145875

  8. Accurate Nanoscale Crystallography in Real-Space Using Scanning Transmission Electron Microscopy.

    PubMed

    Dycus, J Houston; Harris, Joshua S; Sang, Xiahan; Fancher, Chris M; Findlay, Scott D; Oni, Adedapo A; Chan, Tsung-Ta E; Koch, Carl C; Jones, Jacob L; Allen, Leslie J; Irving, Douglas L; LeBeau, James M

    2015-08-01

    Here, we report reproducible and accurate measurement of crystallographic parameters using scanning transmission electron microscopy. This is made possible by removing drift and residual scan distortion. We demonstrate real-space lattice parameter measurements with <0.1% error for complex-layered chalcogenides Bi2Te3, Bi2Se3, and a Bi2Te2.7Se0.3 nanostructured alloy. Pairing the technique with atomic resolution spectroscopy, we connect local structure with chemistry and bonding. Combining these results with density functional theory, we show that the incorporation of Se into Bi2Te3 causes charge redistribution that anomalously increases the van der Waals gap between building blocks of the layered structure. The results show that atomic resolution imaging with electrons can accurately and robustly quantify crystallography at the nanoscale. PMID:26169835

  9. Automated Real-Space Refinement of Protein Structures Using a Realistic Backbone Move Set

    PubMed Central

    Haddadian, Esmael J.; Gong, Haipeng; Jha, Abhishek K.; Yang, Xiaojing; DeBartolo, Joe; Hinshaw, James R.; Rice, Phoebe A.; Sosnick, Tobin R.; Freed, Karl F.

    2011-01-01

    Crystals of many important biological macromolecules diffract to limited resolution, rendering accurate model building and refinement difficult and time-consuming. We present a torsional optimization protocol that is applicable to many such situations and combines Protein Data Bank-based torsional optimization with real-space refinement against the electron density derived from crystallography or cryo-electron microscopy. Our method converts moderate- to low-resolution structures at initial (e.g., backbone trace only) or late stages of refinement to structures with increased numbers of hydrogen bonds, improved crystallographic R-factors, and superior backbone geometry. This automated method is applicable to DNA-binding and membrane proteins of any size and will aid studies of structural biology by improving model quality and saving considerable effort. The method can be extended to improve NMR and other structures. Our backbone score and its sequence profile provide an additional standard tool for evaluating structural quality. PMID:21843481

  10. Real-space Wigner-Seitz Cells Imaging of Potassium on Graphite via Elastic Atomic Manipulation

    PubMed Central

    Yin, Feng; Koskinen, Pekka; Kulju, Sampo; Akola, Jaakko; Palmer, Richard E.

    2015-01-01

    Atomic manipulation in the scanning tunnelling microscopy, conventionally a tool to build nanostructures one atom at a time, is here employed to enable the atomic-scale imaging of a model low-dimensional system. Specifically, we use low-temperature STM to investigate an ultra thin film (4 atomic layers) of potassium created by epitaxial growth on a graphite substrate. The STM images display an unexpected honeycomb feature, which corresponds to a real-space visualization of the Wigner-Seitz cells of the close-packed surface K atoms. Density functional simulations indicate that this behaviour arises from the elastic, tip-induced vertical manipulation of potassium atoms during imaging, i.e. elastic atomic manipulation, and reflects the ultrasoft properties of the surface under strain. The method may be generally applicable to other soft e.g. molecular or biomolecular systems. PMID:25651973

  11. Single-cone real-space finite difference scheme for the time-dependent Dirac equation

    NASA Astrophysics Data System (ADS)

    Hammer, René; Pötz, Walter; Arnold, Anton

    2014-05-01

    A finite difference scheme for the numerical treatment of the (3+1)D Dirac equation is presented. Its staggered-grid intertwined discretization treats space and time coordinates on equal footing, thereby avoiding the notorious fermion doubling problem. This explicit scheme operates entirely in real space and leads to optimal linear scaling behavior for the computational effort per space-time grid-point. It allows for an easy and efficient parallelization. A functional for a norm on the grid is identified. It can be interpreted as probability density and is proved to be conserved by the scheme. The single-cone dispersion relation is shown and exact stability conditions are derived. Finally, a single-cone scheme for the two-component (2+1)D Dirac equation, its properties, and a simulation of scattering at a Klein step are presented.

  12. Real-space visualization of conformation-independent oligothiophene electronic structure.

    PubMed

    Taber, Benjamen N; Kislitsyn, Dmitry A; Gervasi, Christian F; Mills, Jon M; Rosenfield, Ariel E; Zhang, Lei; Mannsfeld, Stefan C B; Prell, James S; Briseno, Alejandro L; Nazin, George V

    2016-05-21

    We present scanning tunneling microscopy and spectroscopy (STM/STS) investigations of the electronic structures of different alkyl-substituted oligothiophenes on the Au(111) surface. STM imaging showed that on Au(111), oligothiophenes adopted distinct straight and bent conformations. By combining STS maps with STM images, we visualize, in real space, particle-in-a-box-like oligothiophene molecular orbitals. We demonstrate that different planar conformers with significant geometrical distortions of oligothiophene backbones surprisingly exhibit very similar electronic structures, indicating a low degree of conformation-induced electronic disorder. The agreement of these results with gas-phase density functional theory calculations implies that the oligothiophene interaction with the Au(111) surface is generally insensitive to molecular conformation. PMID:27208961

  13. Real-space method for first-principles electron transport calculations: Self-energy terms of electrodes for large systems

    NASA Astrophysics Data System (ADS)

    Ono, Tomoya; Tsukamoto, Shigeru

    2016-01-01

    We present a fast and stable numerical technique to obtain the self-energy terms of electrodes for first-principles electron transport calculations. Although first-principles calculations based on the real-space finite-difference method are advantageous for execution on massively parallel computers, large-scale transport calculations are hampered by the computational cost and numerical instability of the computation of the self-energy terms. Using the orthogonal complement vectors of the space spanned by the generalized Bloch waves that actually contribute to transport phenomena, the computational accuracy of transport properties is significantly improved with a moderate computational cost. To demonstrate the efficiency of the present technique, the electron transport properties of a Stone-Wales (SW) defect in graphene and silicene are examined. The resonance scattering of the SW defect is observed in the conductance spectrum of silicene since the σ* state of silicene lies near the Fermi energy. In addition, we found that one conduction channel is sensitive to a defect near the Fermi energy, while the other channel is hardly affected. This characteristic behavior of the conduction channels is interpreted in terms of the bonding network between the bilattices of the honeycomb structure in the formation of the SW defect. The present technique enables us to distinguish the different behaviors of the two conduction channels in graphene and silicene owing to its excellent accuracy.

  14. Future directions in X-ray/gamma-ray observations

    NASA Technical Reports Server (NTRS)

    Kniffen, D. A.

    1982-01-01

    Facilities available for X ray and gamma ray astronomical observations in the late 1980s are described, with an emphasis on NASA programs. Current European programs for launching Rosat and Exosat will provide coverage in the 0.4-60 keV energy range. The proposed NASA advanced X ray astrophysics facility is intended to cover the 0.1-8 keV range with higher than 0.5 arcsec resolution. The Japanese Astro-B, scheduled for launch in 1983, observes in the 1-60 keV range. X ray and gamma ray observations are also scheduled for Spacelab flights. The French-Soviet Gamma-1 spark chamber high energy gamma ray telescope is intended for LEO orbit and observations in the energy range above 50 MeV with a 2 deg, 1-5 arcmin resolution. The NASA gamma ray observatory is set for 1988 launch and will feature four instruments to monitor the 60 keV-300 GeV range. Balloon-borne instrumentation will also be launched, with attention given to the medium gamma ray energy range from 1-30 MeV.

  15. Future directions in X-ray/gamma-ray observations

    NASA Astrophysics Data System (ADS)

    Kniffen, D. A.

    Facilities available for X ray and gamma ray astronomical observations in the late 1980s are described, with an emphasis on NASA programs. Current European programs for launching Rosat and Exosat will provide coverage in the 0.4-60 keV energy range. The proposed NASA advanced X ray astrophysics facility is intended to cover the 0.1-8 keV range with higher than 0.5 arcsec resolution. The Japanese Astro-B, scheduled for launch in 1983, observes in the 1-60 keV range. X ray and gamma ray observations are also scheduled for Spacelab flights. The French-Soviet Gamma-1 spark chamber high energy gamma ray telescope is intended for LEO orbit and observations in the energy range above 50 MeV with a 2 deg, 1-5 arcmin resolution. The NASA gamma ray observatory is set for 1988 launch and will feature four instruments to monitor the 60 keV-300 GeV range. Balloon-borne instrumentation will also be launched, with attention given to the medium gamma ray energy range from 1-30 MeV.

  16. Clear Direction. The Montessori Observer. Volume 32, Number 2

    ERIC Educational Resources Information Center

    International Montessori Society (NJ3), 2011

    2011-01-01

    "The Montessori Observer" is mailed four times each year, in March, May, September and November, to Society members throughout the world. The purpose is to provide news and information about the Society's work in Montessori education, and to extend awareness of Montessori principles throughout the world. This issue contains a feature article,…

  17. Observations of directional gamma prime coarsening during engine operation

    NASA Technical Reports Server (NTRS)

    Draper, Susan L.; Hull, David R.; Dreshfield, Robert L.

    1987-01-01

    Two alloys with negative mismatch parameters, NASAIR 100 and a modified NASAIR 100 called Alloy 3 were run as turbine blades in an experimental ground based Garret TFE731 engine for up to 200 hr. The directional coarsening of gamma prime (rafting) that developed during engine testing was analyzed and compared to previous research from laboratory tests. The blades were found to be rafted normal to the centrifugal stress axis over much of the span, but near the surfaces, the blades were found to be rafted parallel to the centrifugal stress axis for certain cycles. Representative photomicrographs of the blades and the effects of stress and temperature on raft formation are shown.

  18. Galileo NIMS Direct Observations of the SL-9 Fireballs

    NASA Technical Reports Server (NTRS)

    Carlson, R. W.; Weissman, P. R.; Hui, J.; Segura, M.; Johnson, T. V.; Smythe, W. D.; Baines, K. H.; Drossart, P.; Encrenaz, T.; Leader, F.; Mehlman, R.

    1995-01-01

    The Galileo spacecraft was situated 1.8 AU from Jupiter, at a phase angle of 51 deg, providing a direct view of the impacts of the comet fragments with the planet. Low resolution infrared spectra in the 1 to 5 micron range were recorded for several of the events, which can be used to study the early evolution of the fireballs. Preliminary analysis of the data received for the G event show an initial fireball temperature of greater than 5000 K and an effective source diameter of less than 10 km. These spectra show absorption by molecular hydrogen and methane which place the upper emitting surface in the stratosphere, above the ammonia cloud level. As time progresses, the fireball cools and the effective diameter of the radiating area increases at roughly 2 km/sec. In 30 seconds, the fireball cools to approximately 1000 k and exhibits a diameter of about 100 km.

  19. Direct Observation of Capillary Condensation of a Solid

    NASA Astrophysics Data System (ADS)

    Qiao, Ying; Christenson, Hugo K.

    2001-04-01

    We describe the direct condensation of a solid from vapor in an annular mica wedge. Neo-pentanol initially condenses as a liquid from 8 to 57 °C (the melting point Tm), followed by nucleation of a solid from vapor for T<45 °C. Menthol \\(Tm = 42 °C\\) gives only liquid condensates down to 12 °C. The adsorbed films of neo-pentanol, which unlike those of menthol show layering transitions, and the disordered crystalline phase of bulk neo-pentanol appear to facilitate condensation of the solid phase. There is evidence for a change in the nature of the solid neo-pentanol condensate with T.

  20. Direct observation of nanoparticle-cancer cell nucleus interactions.

    PubMed

    Dam, Duncan Hieu M; Lee, Jung Heon; Sisco, Patrick N; Co, Dick T; Zhang, Ming; Wasielewski, Michael R; Odom, Teri W

    2012-04-24

    We report the direct visualization of interactions between drug-loaded nanoparticles and the cancer cell nucleus. Nanoconstructs composed of nucleolin-specific aptamers and gold nanostars were actively transported to the nucleus and induced major changes to the nuclear phenotype via nuclear envelope invaginations near the site of the construct. The number of local deformations could be increased by ultrafast, light-triggered release of the aptamers from the surface of the gold nanostars. Cancer cells with more nuclear envelope folding showed increased caspase 3 and 7 activity (apoptosis) as well as decreased cell viability. This newly revealed correlation between drug-induced changes in nuclear phenotype and increased therapeutic efficacy could provide new insight for nuclear-targeted cancer therapy. PMID:22424173

  1. Observations of directional gamma prime coarsening during engine operation

    NASA Technical Reports Server (NTRS)

    Draper, S.; Hull, D.; Dreshfield, R.

    1989-01-01

    Two alloys, NASAIR 100 and a modified NASAIR 100 called Alloy 3, were run as turbine blades in an experimental ground-based Garrett TFE731 engine for up to 200 hours. The stress induced directional coarsening of gamma-prime (rafting) that developed during engine testing was analyzed and compared to previous research from laboratory tests. The blades were found to have formed a lamellar structure, the lamellae being normal to the centrifugal stress axis over much of the span. However, near the surfaces, the blades were found to have formed lamellae parallel to the centrifugal stress axis for certain cycles. Representative photomicrographs of the blades and the effects of stress and temperature on lamellae formation are shown.

  2. Direct observation of closure domain wall mediated spin waves

    SciTech Connect

    Mozooni, Babak McCord, Jeffrey

    2015-07-27

    The generation and guiding of spin waves from and by magnetic domain walls are demonstrated. The spin waves radiate from pinned and oscillating magnetic closure domain walls and propagate linearly along a narrow path formed by the surrounding 180° asymmetric Bloch domain walls. The propagating spin wave modes are directly visualized by time-resolved magneto-optical Kerr microscopy with picosecond temporal resolution. A linear relationship between excitation frequency, wavelength, and number of spin waves per domain exists. Independent of the field excitation frequency, a constant phase velocity of spin waves propagation is obtained. Spin waves characteristics can be tuned by varying the magnetic domain dynamics, allowing for variable spin wave characteristics with magnetic field characteristics and histories.

  3. Direct Observation of Ultralow Vertical Emittance using a Vertical Undulator

    SciTech Connect

    Wootton, Kent

    2015-09-17

    In recent work, the first quantitative measurements of electron beam vertical emittance using a vertical undulator were presented, with particular emphasis given to ultralow vertical emittances [K. P. Wootton, et al., Phys. Rev. ST Accel. Beams, 17, 112802 (2014)]. Using this apparatus, a geometric vertical emittance of 0.9 #6;± 0.3 pm rad has been observed. A critical analysis is given of measurement approaches that were attempted, with particular emphasis on systematic and statistical uncertainties. The method used is explained, compared to other techniques and the applicability of these results to other scenarios discussed.

  4. Direct Experimental Observation of a Practical AC Zeeman Force

    NASA Astrophysics Data System (ADS)

    Fancher, Charles; Pyle, Andrew; Rotunno, Andrew; Du, Shuangli; Aubin, Seth

    2016-05-01

    We present measurements of the spin-dependent AC Zeeman force produced by microwave magnetic near-field gradients on an atom chip. We measure the AC Zeeman force on ultracold 87 Rb atoms by observing its effect on the motion of atoms in free-fall and on those confined in a trap. We have studied the force as a function of microwave frequency detuning from a hyperfine transition at 6.8 GHz at several magnetic field strengths and have observed its characteristic bipolar and resonant features predicted by two-level dressed atom theory. We find that the force is several times the strength of gravity in our setup, and that it can be targeted to a specific hyperfine transition while leaving other hyperfine states and transitions relatively unaffected. We find that our measurements are reasonably consistent with theory and are working towards a parameter-free comparison. AC Zeeman potentials offer the possibility of targeting qualitatively different trapping potentials to different spin states, a capability currently absent from the toolbox of atomic quantum control techniques. In particular, an AC Zeeman potential could be used as the beamsplitter for a spin-dependent atom interferometer or for engineering a quantum gate. Work supported by AFOSR and W&M, and in part by AFRL.

  5. Providers' response to child eating behaviors: A direct observation study.

    PubMed

    Tovar, Alison; Vaughn, Amber E; Fallon, Megan; Hennessy, Erin; Burney, Regan; Østbye, Truls; Ward, Dianne S

    2016-10-01

    Child care providers play an important role in feeding young children, yet little is known about children's influence on providers' feeding practices. This qualitative study examines provider and child (18 months -4 years) feeding interactions. Trained data collectors observed 200 eating occasions in 48 family child care homes and recorded providers' responses to children's meal and snack time behaviors. Child behaviors initiating provider feeding practices were identified and practices were coded according to higher order constructs identified in a recent feeding practices content map. Analysis examined the most common feeding practices providers used to respond to each child behavior. Providers were predominately female (100%), African-American (75%), and obese (77%) and a third of children were overweight/obese (33%). Commonly observed child behaviors were: verbal and non-verbal refusals, verbal and non-verbal acceptance, being "all done", attempts for praise/attention, and asking for seconds. Children's acceptance of food elicited more autonomy supportive practices vs. coercive controlling. Requests for seconds was the most common behavior, resulting in coercive controlling practices (e.g., insisting child eat certain food or clean plate). Future interventions should train providers on responding to children's behaviors and helping children become more aware of internal satiety and hunger cues. PMID:27328098

  6. Direct observation of intermediate states in model membrane fusion.

    PubMed

    Keidel, Andrea; Bartsch, Tobias F; Florin, Ernst-Ludwig

    2016-01-01

    We introduce a novel assay for membrane fusion of solid supported membranes on silica beads and on coverslips. Fusion of the lipid bilayers is induced by bringing an optically trapped bead in contact with the coverslip surface while observing the bead's thermal motion with microsecond temporal and nanometer spatial resolution using a three-dimensional position detector. The probability of fusion is controlled by the membrane tension on the particle. We show that the progression of fusion can be monitored by changes in the three-dimensional position histograms of the bead and in its rate of diffusion. We were able to observe all fusion intermediates including transient fusion, formation of a stalk, hemifusion and the completion of a fusion pore. Fusion intermediates are characterized by axial but not lateral confinement of the motion of the bead and independently by the change of its rate of diffusion due to the additional drag from the stalk-like connection between the two membranes. The detailed information provided by this assay makes it ideally suited for studies of early events in pure lipid bilayer fusion or fusion assisted by fusogenic molecules. PMID:27029285

  7. Direct observation of intermediate states in model membrane fusion

    PubMed Central

    Keidel, Andrea; Bartsch, Tobias F.; Florin, Ernst-Ludwig

    2016-01-01

    We introduce a novel assay for membrane fusion of solid supported membranes on silica beads and on coverslips. Fusion of the lipid bilayers is induced by bringing an optically trapped bead in contact with the coverslip surface while observing the bead’s thermal motion with microsecond temporal and nanometer spatial resolution using a three-dimensional position detector. The probability of fusion is controlled by the membrane tension on the particle. We show that the progression of fusion can be monitored by changes in the three-dimensional position histograms of the bead and in its rate of diffusion. We were able to observe all fusion intermediates including transient fusion, formation of a stalk, hemifusion and the completion of a fusion pore. Fusion intermediates are characterized by axial but not lateral confinement of the motion of the bead and independently by the change of its rate of diffusion due to the additional drag from the stalk-like connection between the two membranes. The detailed information provided by this assay makes it ideally suited for studies of early events in pure lipid bilayer fusion or fusion assisted by fusogenic molecules. PMID:27029285

  8. Direct observation of intermediate states in model membrane fusion

    NASA Astrophysics Data System (ADS)

    Keidel, Andrea; Bartsch, Tobias F.; Florin, Ernst-Ludwig

    2016-03-01

    We introduce a novel assay for membrane fusion of solid supported membranes on silica beads and on coverslips. Fusion of the lipid bilayers is induced by bringing an optically trapped bead in contact with the coverslip surface while observing the bead’s thermal motion with microsecond temporal and nanometer spatial resolution using a three-dimensional position detector. The probability of fusion is controlled by the membrane tension on the particle. We show that the progression of fusion can be monitored by changes in the three-dimensional position histograms of the bead and in its rate of diffusion. We were able to observe all fusion intermediates including transient fusion, formation of a stalk, hemifusion and the completion of a fusion pore. Fusion intermediates are characterized by axial but not lateral confinement of the motion of the bead and independently by the change of its rate of diffusion due to the additional drag from the stalk-like connection between the two membranes. The detailed information provided by this assay makes it ideally suited for studies of early events in pure lipid bilayer fusion or fusion assisted by fusogenic molecules.

  9. Task Learning of an Arm Robot in Real Space by Using a Learning System in Virtual Space

    NASA Astrophysics Data System (ADS)

    Tsubone, Tadashi; Kurimoto, Kenichi; Sugiyama, Koichi; Wada, Yasuhiro

    Reinforced learning by which a robot acquires control rules through trial and error has gotten a lot of attention. However, it is quite difficult for robots to acquire control rules by reinforcement learning in real space because many learning trials are needed to achieve the control rules; the robot itself may lose control, or there may be safety problems with the control objects. In this paper, we propose a method in which a robot in real space learns a virtual task; then the task is transferred from virtual to real space. The robot eventually acquires the task in a real environment. We show that a real robot can acquire a task in virtual space with an input device by an example of an inverted pendulum. Next, we verify availability that the acquired task in virtual space can be applied to a real world task. We emphasize the utilization of virtual space to effectively obtain the real world task.

  10. Real-Space Density Functional Theory on Graphical Processing Units: Computational Approach and Comparison to Gaussian Basis Set Methods.

    PubMed

    Andrade, Xavier; Aspuru-Guzik, Alán

    2013-10-01

    We discuss the application of graphical processing units (GPUs) to accelerate real-space density functional theory (DFT) calculations. To make our implementation efficient, we have developed a scheme to expose the data parallelism available in the DFT approach; this is applied to the different procedures required for a real-space DFT calculation. We present results for current-generation GPUs from AMD and Nvidia, which show that our scheme, implemented in the free code Octopus, can reach a sustained performance of up to 90 GFlops for a single GPU, representing a significant speed-up when compared to the CPU version of the code. Moreover, for some systems, our implementation can outperform a GPU Gaussian basis set code, showing that the real-space approach is a competitive alternative for DFT simulations on GPUs. PMID:26589153

  11. Direct observation of electron dynamics in the attosecond domain.

    PubMed

    Föhlisch, A; Feulner, P; Hennies, F; Fink, A; Menzel, D; Sanchez-Portal, D; Echenique, P M; Wurth, W

    2005-07-21

    Dynamical processes are commonly investigated using laser pump-probe experiments, with a pump pulse exciting the system of interest and a second probe pulse tracking its temporal evolution as a function of the delay between the pulses. Because the time resolution attainable in such experiments depends on the temporal definition of the laser pulses, pulse compression to 200 attoseconds (1 as = 10(-18) s) is a promising recent development. These ultrafast pulses have been fully characterized, and used to directly measure light waves and electronic relaxation in free atoms. But attosecond pulses can only be realized in the extreme ultraviolet and X-ray regime; in contrast, the optical laser pulses typically used for experiments on complex systems last several femtoseconds (1 fs = 10(-15) s). Here we monitor the dynamics of ultrafast electron transfer--a process important in photo- and electrochemistry and used in solid-state solar cells, molecular electronics and single-electron devices--on attosecond timescales using core-hole spectroscopy. We push the method, which uses the lifetime of a core electron hole as an internal reference clock for following dynamic processes, into the attosecond regime by focusing on short-lived holes with initial and final states in the same electronic shell. This allows us to show that electron transfer from an adsorbed sulphur atom to a ruthenium surface proceeds in about 320 as. PMID:16034414

  12. Directly observing continuum emission from self-gravitating spiral waves

    NASA Astrophysics Data System (ADS)

    Hall, Cassandra; Forgan, Duncan; Rice, Ken; Harries, Tim J.; Klaassen, Pamela D.; Biller, Beth

    2016-05-01

    We use a simple, self-consistent, self-gravitating semi-analytic disc model to conduct an examination of the parameter space in which self-gravitating discs may exist. We then use Monte Carlo radiative transfer to generate synthetic Atacama Large Millimeter/submillimeter Array (ALMA) images of these self-gravitating discs to determine the subset of this parameter space in which they generate non-axisymmetric structure that is potentially detectable by ALMA. Recently, several transition discs have been observed to have non-axisymmetric structure that extends out to large radii. It has been suggested that one possible origin of these asymmetries could be spiral density waves induced by disc self-gravity. We use our simple model to see if these discs exist in the region of parameter space where self-gravity could feasibly explain these spiral features. We find that for self-gravity to play a role in these systems typically requires a disc mass around an order of magnitude higher than the observed disc masses for the systems. The spiral amplitudes produced by self-gravity in the local approximation are relatively weak when compared to amplitudes produced by tidal interactions, or spirals launched at Lindblad resonances due to embedded planets in the disc. As such, we ultimately caution against diagnosing spiral features as being due to self-gravity, unless the disc exists in the very narrow region of parameter space where the spiral wave amplitudes are large enough to produce detectable features, but not so large as to cause the disc to fragment.

  13. Direct observation of dynamic shear jamming in dense suspensions.

    PubMed

    Peters, Ivo R; Majumdar, Sayantan; Jaeger, Heinrich M

    2016-04-14

    Liquid-like at rest, dense suspensions of hard particles can undergo striking transformations in behaviour when agitated or sheared. These phenomena include solidification during rapid impact, as well as strong shear thickening characterized by discontinuous, orders-of-magnitude increases in suspension viscosity. Much of this highly non-Newtonian behaviour has recently been interpreted within the framework of a jamming transition. However, although jamming indeed induces solid-like rigidity, even a strongly shear-thickened state still flows and thus cannot be fully jammed. Furthermore, although suspensions are incompressible, the onset of rigidity in the standard jamming scenario requires an increase in particle density. Finally, whereas shear thickening occurs in the steady state, impact-induced solidification is transient. As a result, it has remained unclear how these dense suspension phenomena are related and how they are connected to jamming. Here we resolve this by systematically exploring both the steady-state and transient regimes with the same experimental system. We demonstrate that a fully jammed, solid-like state can be reached without compression and instead purely with shear, as recently proposed for dry granular systems. This state is created by transient shear-jamming fronts, which we track directly. We also show that shear stress, rather than shear rate, is the key control parameter. From these findings we map out a state diagram with particle density and shear stress as variables. We identify discontinuous shear thickening with a marginally jammed regime just below the onset of full, solid-like jamming. This state diagram provides a unifying framework, compatible with prior experimental and simulation results on dense suspensions, that connects steady-state and transient behaviour in terms of a dynamic shear-jamming process. PMID:27042934

  14. Direct observation of dynamic shear jamming in dense suspensions

    NASA Astrophysics Data System (ADS)

    Peters, Ivo R.; Majumdar, Sayantan; Jaeger, Heinrich M.

    2016-04-01

    Liquid-like at rest, dense suspensions of hard particles can undergo striking transformations in behaviour when agitated or sheared. These phenomena include solidification during rapid impact, as well as strong shear thickening characterized by discontinuous, orders-of-magnitude increases in suspension viscosity. Much of this highly non-Newtonian behaviour has recently been interpreted within the framework of a jamming transition. However, although jamming indeed induces solid-like rigidity, even a strongly shear-thickened state still flows and thus cannot be fully jammed. Furthermore, although suspensions are incompressible, the onset of rigidity in the standard jamming scenario requires an increase in particle density. Finally, whereas shear thickening occurs in the steady state, impact-induced solidification is transient. As a result, it has remained unclear how these dense suspension phenomena are related and how they are connected to jamming. Here we resolve this by systematically exploring both the steady-state and transient regimes with the same experimental system. We demonstrate that a fully jammed, solid-like state can be reached without compression and instead purely with shear, as recently proposed for dry granular systems. This state is created by transient shear-jamming fronts, which we track directly. We also show that shear stress, rather than shear rate, is the key control parameter. From these findings we map out a state diagram with particle density and shear stress as variables. We identify discontinuous shear thickening with a marginally jammed regime just below the onset of full, solid-like jamming. This state diagram provides a unifying framework, compatible with prior experimental and simulation results on dense suspensions, that connects steady-state and transient behaviour in terms of a dynamic shear-jamming process.

  15. Direct Observation of Kinetic Pathways of Biomolecular Recognition.

    PubMed

    Choudhury, Susobhan; Batabyal, Subrata; Mondal, Prasanna Kumar; Singh, Priya; Lemmens, Peter; Pal, Samir Kumar

    2015-11-01

    The pathways of molecular recognition, which is a central event in all biological processes, belong to the most important subjects of contemporary research in biomolecular science. By using fluorescence spectroscopy in a microfluidics channel, it can be determined that molecular recognition of α-chymotrypsin in hydrous surroundings at two different pH values (3.6 and 6.3) follows two distinctly different pathways. Whereas one corroborates an induced-fit model (pH 3.6), the other one (pH 6.3) is consistent with the selected-fit model of biomolecular recognition. The role of massive structural perturbations of differential recognition pathways could be ruled out by earlier XRD studies, rather was consistent with the femtosecond-resolved observation of dynamic flexibility of the protein at different pH values. At low concentrations of ligands, the selected-fit model dominates, whereas increasing the ligand concentration leads to the induced-fit model. From molecular modelling and experimental results, the timescale associated with the conformational flexibility of the protein plays a key role in the selection of a pathway in biomolecular recognition. PMID:26367136

  16. Variability of the directly observed, middepth subpolar North Atlantic circulation

    NASA Astrophysics Data System (ADS)

    Palter, Jaime B.; Caron, Charles-André; Law, Kara Lavender; Willis, Joshua K.; Trossman, David S.; Yashayaev, Igor M.; Gilbert, Denis

    2016-03-01

    Satellite views of the ocean have suggested a decline of the subpolar North Atlantic surface circulation during the 1990s and 2000s. This was a period of unprecedented observational capacity in the basin, thanks to the presence of many hundreds of profiling floats. We use more than 40,000 subsurface displacements of these floats to characterize the circulation at 1000 m depth, and its evolution from 1997-2013. We show a statistically significant slowdown in the Labrador Sea boundary currents of -0.8 cm s-1 per decade (95% confidence interval of -1.4 to -0.15 cm s—1 per decade, a conservative estimate of the uncertainty). Otherwise, the middepth circulation field was largely stable. Our analysis of the location where the North Atlantic Current crosses the Mid-Atlantic Ridge shows that profiling floats can reveal steering by bathymetric features, but do not reveal of decadal variability in the position where the current crosses the ridge.

  17. Direct observation of OH formation from stabilised Criegee intermediates.

    PubMed

    Novelli, A; Vereecken, L; Lelieveld, J; Harder, H

    2014-10-01

    The syn-CH3CHOO Criegee intermediate formed from the ozonolysis of propene and (E)-2-butene was detected via unimolecular decomposition and subsequent detection of OH radicals by a LIF-FAGE instrument. An observed time dependent OH concentration profile was analysed using a detailed model focusing on the speciated chemistry of Criegee intermediates based on the recent literature. The absolute OH concentration was found to depend on the steady state concentration of syn-CH3CHOO at the injection point while the time dependence of the OH concentration profile was influenced by the sum of the rates of unimolecular decomposition of syn-CH3CHOO and wall loss. By varying the most relevant parameters influencing the SCI chemistry in the model and based on the temporal OH concentration profile, the unimolecular decomposition rate k (293 K) of syn-CH3CHOO was shown to lie within the range 3-30 s(-1), where a value of 20 ± 10 s(-1) yields the best agreement with the CI chemistry literature. PMID:25119645

  18. Direct observation of catch bonds involving cell-adhesion molecules

    NASA Astrophysics Data System (ADS)

    Marshall, Bryan T.; Long, Mian; Piper, James W.; Yago, Tadayuki; McEver, Rodger P.; Zhu, Cheng

    2003-05-01

    Bonds between adhesion molecules are often mechanically stressed. A striking example is the tensile force applied to selectin-ligand bonds, which mediate the tethering and rolling of flowing leukocytes on vascular surfaces. It has been suggested that force could either shorten bond lifetimes, because work done by the force could lower the energy barrier between the bound and free states (`slip'), or prolong bond lifetimes by deforming the molecules such that they lock more tightly (`catch'). Whereas slip bonds have been widely observed, catch bonds have not been demonstrated experimentally. Here, using atomic force microscopy and flow-chamber experiments, we show that increasing force first prolonged and then shortened the lifetimes of P-selectin complexes with P-selectin glycoprotein ligand-1, revealing both catch and slip bond behaviour. Transitions between catch and slip bonds might explain why leukocyte rolling on selectins first increases and then decreases as wall shear stress increases. This dual response to force provides a mechanism for regulating cell adhesion under conditions of variable mechanical stress.

  19. Direct observation of resonance effects in laser cluster interactions

    SciTech Connect

    Zweiback, J

    1999-06-01

    Time resolved dynamics of high intensity laser interactions with atomic clusters have been studied with both theoretical analysis and experiment. A short-pulse Ti:sapphire laser system, which could produce 50 mJ of energy in a 50 fs pulse, was built to perform these experiments. The laser used a novel single grating stretcher and was pumped, in part, by a custom Nd:YLF laser system, including 19 mm Nd:YLF amplifiers. It was found that there is an optimal pulse width to maximize absorption for a given cluster size. This optimal pulse width ranged from 400 fs for 85 A radius xenon clusters to 1.2 ps for 205 {angstrom} radius xenon clusters. Using a pump-probe configuration, the absorption of the probe radiation was observed to reach a maximum for a particular time delay between pump and probe, dependent on the cluster size. The delay for peak absorption was 800, 1400, and 2100 fs for 85 {angstrom}, 130 {angstrom}, and 170 {angstrom} radius xenon clusters respectively. Model calculations suggest that these effects are due to resonant heating of the spherical plasma in agreement with the hydrodynamic interpretation of cluster interactions. While this simple hydrodynamic code produces reasonable agreement with data, it does not include bulk plasma or non-linear propagation effects and is limited to the regime where resonant behavior dominates. We also measured the scattered laser light from the laser-cluster interaction. Similar to the absorption measurements, there is an optimal pulse width which maximizes the scattered signal. This pulse width is larger than the optimal pulse width for absorption. This disagrees with model calculations which show both pulse widths being similar. Further experiments measuring the scattered light in a pump-probe configuration should help to resolve this disagreement.

  20. Direct observations of the atmospheric processing of Asian mineral dust

    NASA Astrophysics Data System (ADS)

    Sullivan, R. C.; Guazzotti, S. A.; Sodeman, D. A.; Prather, K. A.

    2007-02-01

    The accumulation of secondary acids and ammonium on individual mineral dust particles during ACE-Asia has been measured with an online single-particle mass spectrometer, the ATOFMS. Changes in the amounts of sulphate, nitrate, and chloride mixed with dust particles correlate with air masses from different source regions. The uptake of secondary acids depended on the individual dust particle mineralogy; high amounts of nitrate accumulated on calcium-rich dust while high amounts of sulphate accumulated on aluminosilicate-rich dust. Oxidation of S(IV) to S(VI) by iron in the aluminosilicate dust is a possible explanation for this enrichment of sulphate, which has important consequences for the fertilization of remote oceans by soluble iron. This study shows the segregation of sulphate from nitrate and chloride in individual aged dust particles for the first time. A transport and aging timeline provides an explanation for the observed segregation. Our data suggests that sulphate became mixed with the dust first. This implies that the transport pathway is more important than the reaction kinetics in determining which species accumulate on mineral dust. Early in the study, dust particles in volcanically influenced air masses were mixed predominately with sulphate. Dust mixed with chloride then dominated over sulphate and nitrate when a major dust front reached the R. V. Ronald Brown. We hypothesize that the rapid increase in chloride on dust was due to mixing with HCl(g) released from acidified sea salt particles induced by heterogeneous reaction with volcanic SO2(g), prior to the arrival of the dust front. The amount of ammonium mixed with dust correlated strongly with the total amount of secondary acid reaction products in the dust. Submicron dust and ammonium sulphate were internally mixed, contrary to frequent reports that they exist as external mixtures. The size distribution of the mixing state of dust with these secondary species validates previous mechanisms of

  1. Relation between Direct Observation of Relaxation and Self-Reported Mindfulness and Relaxation States

    ERIC Educational Resources Information Center

    Hites, Lacey S.; Lundervold, Duane A.

    2013-01-01

    Forty-four individuals, 18-47 (MN 21.8, SD 5.63) years of age, took part in a study examining the magnitude and direction of the relationship between self-report and direct observation measures of relaxation and mindfulness. The Behavioral Relaxation Scale (BRS), a valid direct observation measure of relaxation, was used to assess relaxed behavior…

  2. Development of a Direct Observation Instrument to Measure Environmental Characteristics of Parks for Physical Activity

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The study's purpose is to describe the development and evaluate the reliability (inter-observer agreement) and validity (rater agreement with a gold standard) of a direct observation instrument to assess park characteristics that may be related to physical activity. A direct observation instrument ...

  3. Real Space Multigrid (RMG) Open Source Software Suite for Multi-Petaflops Electronic Structure Calculations

    NASA Astrophysics Data System (ADS)

    Briggs, Emil; Hodak, Miroslav; Lu, Wenchang; Bernholc, Jerry; Li, Yan

    RMG is a cross platform open source package for ab initio electronic structure calculations that uses real-space grids, multigrid pre-conditioning, and subspace diagonalization to solve the Kohn-Sham equations. The code has been successfully used for a wide range of problems ranging from complex bulk materials to multifunctional electronic devices and biological systems. RMG makes efficient use of GPU accelerators, if present, but does not require them. Recent work has extended GPU support to systems with multiple GPU's per computational node, as well as optimized both CPU and GPU memory usage to enable large problem sizes, which are no longer limited by the memory of the GPU board. Additional enhancements include increased portability, scalability and performance. New versions of the code are regularly released at sourceforge.net/projects/rmgdft/. The releases include binaries for Linux, Windows and MacIntosh systems, automated builds for clusters using cmake, as well as versions adapted to the major supercomputing installations and platforms.

  4. Probing Critical Surfaces in Momentum Space Using Real-Space Entanglement Entropy: Bose versus Fermi

    NASA Astrophysics Data System (ADS)

    Yang, Kun; Lai, Hsin-Hua

    A co-dimension one critical surface in the momentum space can be either a familiar Fermi surface, which separates occupied states from empty ones in the non-interacting fermion case, or a novel Bose surface, where gapless bosonic excitations are anchored. Their presence gives rise to logarithmic violation of entanglement entropy area law. When they are convex, we show that the shape of these critical surfaces can be determined by inspecting the leading logarithmic term of real space entanglement entropy. The fundamental difference between a Fermi surface and a Bose surface is revealed by the fact that the logarithmic terms in entanglement entropies differ by a factor of two: SlogBose = 2SlogFermi , even when they have identical geometry. Our method has remarkable similarity with determining Fermi surface shape using quantum oscillation. We also discuss possible probes of concave critical surfaces in momentum space. HHL and KY acknowledge the National Science Foundation through Grants No. DMR-1004545, DMR-1157490, No. DMR-1442366, and State of Florida. HHL is also partially supported by NSF Grant No. DMR-1309531, and the Smalley Postdoctoral Fellowship in Quantum Ma.

  5. Steric repulsions, rotation barriers, and stereoelectronic effects: a real space perspective.

    PubMed

    Pendás, A Martín; Blanco, M A; Francisco, E

    2009-01-15

    Widely used chemical concepts like Pauli repulsion or hyperconjugation, and their role in determining rotation barriers or stereoelectronic effects, are analyzed from the real space perspective of the interacting quantum atoms approach (IQA). IQA emerges from the quantum theory of atoms in molecules (QTAIM), but is free from the equilibrium geometry constraint of the former. A framework with both electronically unrelaxed and relaxed wavefunctions is presented that leads to an approximate correspondence between the IQA concepts and those used in the EDA (energy decomposition analysis) or NBO (natural bond orbital) procedures. We show that no net force acts upon the electrons in an electronically relaxed system, so that any reasonable definition of Pauli repulsion must involve unrelaxed state functions. Using antisymmetrized fragments clarifies that Pauli repulsions are energetically connected to the IQA deformation energies, leaving footprints in the finally relaxed states. Similarly, EDA or NBO hyperconjugative stabilizations are found to be naturally related to the IQA electron delocalization patterns. Applications to the rotation barrier of ethane and other simple systems are presented, and the very often forgotten role of electrostatic contributions in determining preferred conformations is highlighted. PMID:18536054

  6. Real-Space Mapping of Surface Trap States in CIGSe Nanocrystals Using 4D Electron Microscopy.

    PubMed

    Bose, Riya; Bera, Ashok; Parida, Manas R; Adhikari, Aniruddha; Shaheen, Basamat S; Alarousu, Erkki; Sun, Jingya; Wu, Tom; Bakr, Osman M; Mohammed, Omar F

    2016-07-13

    Surface trap states in copper indium gallium selenide semiconductor nanocrystals (NCs), which serve as undesirable channels for nonradiative carrier recombination, remain a great challenge impeding the development of solar and optoelectronics devices based on these NCs. In order to design efficient passivation techniques to minimize these trap states, a precise knowledge about the charge carrier dynamics on the NCs surface is essential. However, selective mapping of surface traps requires capabilities beyond the reach of conventional laser spectroscopy and static electron microscopy; it can only be accessed by using a one-of-a-kind, second-generation four-dimensional scanning ultrafast electron microscope (4D S-UEM) with subpicosecond temporal and nanometer spatial resolutions. Here, we precisely map the collective surface charge carrier dynamics of copper indium gallium selenide NCs as a function of the surface trap states before and after surface passivation in real space and time using S-UEM. The time-resolved snapshots clearly demonstrate that the density of the trap states is significantly reduced after zinc sulfide (ZnS) shelling. Furthermore, the removal of trap states and elongation of carrier lifetime are confirmed by the increased photocurrent of the self-biased photodetector fabricated using the shelled NCs. PMID:27228321

  7. First Principles Real-Space GW+BSE Calculations for Confined Systems

    NASA Astrophysics Data System (ADS)

    Hung, Linda; Ogut, Serdar; Souto, Jaime; Lee, Alex; Lena, Charles; Chelikowsky, James R.; Jornada, Felipe H. Da; Louie, Steven G.

    2014-03-01

    We investigate the performance of various levels of GW theories for electronic excitations as well as the resulting solutions of the Bethe-Salpeter-Equation (BSE) for optical excitations in a wide range of confined systems including atoms, ions, diatomic molecules, and organic molecules relevant for photovoltaic applications. Starting with solutions of the Kohn-Sham equations for ground state properties computed via the real-space ab initio pseudopotential code PARSEC, we perform the GW calculations in the space of single-particle transitions at various levels of theory, and compare the results with photoemission data. The levels of theory include such approximations as G0W0 with RPA screening, G0Wf that includes vertex corrections through the use of a dielectric screening within the time-dependent-local-density approximation (TDLDA), the GW0 , and the self-consistent GW. The resulting quasiparticle energies and wave functions from the GW calculations are used to solve the BSE for optical excitations, which are then compared with experiments and results from calculations performed within the TDLDA. The effects of the vertex corrections, self-consistency in GW, and core-valence partitioning are discussed. Supported by DOE Grant No. DE-SC0001853.

  8. Precise estimate of correlation length exponents from simple real-space renormalization group analysis

    NASA Astrophysics Data System (ADS)

    Kubica, Aleksander; Yoshida, Beni

    2014-03-01

    We invent a novel real-space renormalization group (RG) scheme which accurately estimates correlation length exponents ν near criticality of quantum Ising and clock models in higher dimensions. The method, based on a recent proposal by Miyazaki et al., Phys. Rev. E 83, 051103 (2011), is remarkably simple (often analytical), grouping only a few spins into a block spin so that renormalized Hamiltonian has a closed form. A previous difficulty of spatial anisotropy and unwanted terms arising in higher-dimensional RG schemes is avoided by incorporating rotational invariance and internal Zq symmetries of the Hamiltonian. By applying this scheme to (2+1)-dim Ising model on a triangular lattice, we obtained ν = 0 . 6300 which is within statistical error of the current best Monte-Carlo result and ϕ4 theory estimation with seven-loop corrections. We also apply the scheme to higher-dimensional clock (Potts) models for which ordinary Monte-Carlo methods are not efficient due to suppression of quantum fluctuation in first-order phase transition.

  9. Scalable real space pseudopotential density functional codes for materials in the exascale regime

    NASA Astrophysics Data System (ADS)

    Lena, Charles; Chelikowsky, James; Schofield, Grady; Biller, Ariel; Kronik, Leeor; Saad, Yousef; Deslippe, Jack

    Real-space pseudopotential density functional theory has proven to be an efficient method for computing the properties of matter in many different states and geometries, including liquids, wires, slabs, and clusters with and without spin polarization. Fully self-consistent solutions using this approach have been routinely obtained for systems with thousands of atoms. Yet, there are many systems of notable larger sizes where quantum mechanical accuracy is desired, but scalability proves to be a hindrance. Such systems include large biological molecules, complex nanostructures, or mismatched interfaces. We will present an overview of our new massively parallel algorithms, which offer improved scalability in preparation for exascale supercomputing. We will illustrate these algorithms by considering the electronic structure of a Si nanocrystal exceeding 104 atoms. Support provided by the SciDAC program, Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Grant Numbers DE-SC0008877 (Austin) and DE-FG02-12ER4 (Berkeley).

  10. Morphology diagrams for A2B copolymer melts: real-space self-consistent field theory

    SciTech Connect

    Kumar, Rajeev; Sides, Scott; Mays, Jimmy; Li, Yige; Sumpter, Bobby G

    2012-01-01

    Morphology diagrams for A2B copolymer melts are constructed using real-space self-consistent field theory (SCFT). In particular, the effect of architectural asymmetry on the morphology diagram is studied. It is shown that asymmetry in the lengths of A arms in the A2B copolymer melts aids in the microphase separation. As a result, the disorder-order transition boundaries for the A2B copolymer melts are shown to shift downward in terms of N, and N being the Flory s chi parameter and the total number of the Kuhn segments,respectively, in comparison with the A2B copolymers containing symmetric A arms. Furthermore, perforated lamellar (PL) and a micelle-like (M) microphase segregated morphologies are found to compete with the classical morphologies namely, lamellar, cylinders, spheres and gyroid. The PL morphology is found to be stable for A2B copolymers containing asymmetric A arms and M is found to be metastable for the parameter range explored in this work.

  11. Estimating Percent of Time and Rate Via Direct Observation: A Suggested Observational Procedure and Format.

    ERIC Educational Resources Information Center

    Saudargas, Richard A.; Lentz, Frances E., Jr.

    1986-01-01

    Using development of a State Event Observation System as an example, the decision rules and procedures for the constructing of standardized multiple behavior observational systems that provide accurate, reliable data for school-based assessment, intervention, and research are described. Reliability and validity data from the SECOS are provided.…

  12. Direct Observation of Teacher-Directed IEP Meetings: Establishing the Need for Student IEP Meeting Instruction

    ERIC Educational Resources Information Center

    Martin, James E.; Van Dycke, Jamie L.; Greene, Barbara A.; Gardner, J. Emmett; Christensen, W. Robert; Woods, Lee L.; Lovett, David L.

    2006-01-01

    The 1997 reauthorization of the Individuals with Disabilities Education Act (IDEA) called for an increase in student involvement in individualized education program (IEP) meetings. To determine the extent of student involvement in educational planning, this study observed 109 middle and high school IEP meetings; 90% of the participants completed a…

  13. Real Space Mapping of Li-Ion Transport in Amorphous Si Anodes with Nanometer Resolution

    SciTech Connect

    Balke, Nina; Jesse, Stephen; Kim, Yoongu; Adamczyk, Leslie A; Tselev, Alexander; Ivanov, Ilia N; Dudney, Nancy J; Kalinin, Sergei V

    2010-01-01

    The electrical bias driven Li-ion motion in silicon anode materials in thin film battery heterostructures is investigated using electrochemical strain microscopy (ESM), which is a newly developed scanning probe microscopy based characterization method. ESM utilizes the intrinsic link between bias-controlled Li-ion concentration and molar volume of electrode materials, providing the capability for studies on the sub-20 nm scale, and allows the relationship between Li-ion flow and microstructure to be established. The evolution of Li-ion transport during the battery charging is directly observed.

  14. Real Space Imaging of Nanoparticle Assembly at Liquid-Liquid Interfaces with Nanoscale Resolution.

    PubMed

    Costa, Luca; Li-Destri, Giovanni; Thomson, Neil H; Konovalov, Oleg; Pontoni, Diego

    2016-09-14

    Bottom up self-assembly of functional materials at liquid-liquid interfaces has recently emerged as method to design and produce novel two-dimensional (2D) nanostructured membranes and devices with tailored properties. Liquid-liquid interfaces can be seen as a "factory floor" for nanoparticle (NP) self-assembly, because NPs are driven there by a reduction of interfacial energy. Such 2D assembly can be characterized by reciprocal space techniques, namely X-ray and neutron scattering or reflectivity. These techniques have drawbacks, however, as the structural information is averaged over the finite size of the radiation beam and nonperiodic isolated assemblies in 3D or defects may not be easily detected. Real-space in situ imaging methods are more appropriate in this context, but they often suffer from limited resolution and underperform or fail when applied to challenging liquid-liquid interfaces. Here, we study the surfactant-induced assembly of SiO2 nanoparticle monolayers at a water-oil interface using in situ atomic force microscopy (AFM) achieving nanoscale resolved imaging capabilities. Hitherto, AFM imaging has been restricted to solid-liquid interfaces because applications to liquid interfaces have been hindered by their softness and intrinsic dynamics, requiring accurate sample preparation methods and nonconventional AFM operational schemes. Comparing both AFM and grazing incidence X-ray small angle scattering data, we unambiguously demonstrate correlation between real and reciprocal space structure determination showing that the average interfacial NP density is found to vary with surfactant concentration. Additionally, the interaction between the tip and the interface can be exploited to locally determine the acting interfacial interactions. This work opens up the way to studying complex nanostructure formation and phase behavior in a range of liquid-liquid and complex liquid interfaces. PMID:27571473

  15. 10 CFR 26.115 - Collecting a urine specimen under direct observation.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 1 2013-01-01 2013-01-01 false Collecting a urine specimen under direct observation. 26.115 Section 26.115 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Collecting Specimens for Testing § 26.115 Collecting a urine specimen under direct observation. (a) Procedures...

  16. 10 CFR 26.115 - Collecting a urine specimen under direct observation.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 1 2014-01-01 2014-01-01 false Collecting a urine specimen under direct observation. 26.115 Section 26.115 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Collecting Specimens for Testing § 26.115 Collecting a urine specimen under direct observation. (a) Procedures...

  17. 10 CFR 26.115 - Collecting a urine specimen under direct observation.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 1 2011-01-01 2011-01-01 false Collecting a urine specimen under direct observation. 26.115 Section 26.115 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Collecting Specimens for Testing § 26.115 Collecting a urine specimen under direct observation. (a) Procedures...

  18. 10 CFR 26.115 - Collecting a urine specimen under direct observation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 1 2010-01-01 2010-01-01 false Collecting a urine specimen under direct observation. 26.115 Section 26.115 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Collecting Specimens for Testing § 26.115 Collecting a urine specimen under direct observation. (a) Procedures...

  19. 10 CFR 26.115 - Collecting a urine specimen under direct observation.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 1 2012-01-01 2012-01-01 false Collecting a urine specimen under direct observation. 26.115 Section 26.115 Energy NUCLEAR REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Collecting Specimens for Testing § 26.115 Collecting a urine specimen under direct observation. (a) Procedures...

  20. Direct retrieval of ocean surface evaporation and latent heat flux from the spacebased observations

    NASA Technical Reports Server (NTRS)

    Liu, W. T.; Tang, W.

    2000-01-01

    The Tropical Rain Measuring Mission (TRMM) provides the opportunity to improve the spacebased estimation of evaporation. An algorithm for retrieving evaporation directly from the radiances observed by the TRMM Microwave Imager and its validation results are described.

  1. Simultaneous Measurements of direct, semi-direct and indirect aerosol forcing with Stacked Autonomous UAVs: A New Observing Platform

    NASA Astrophysics Data System (ADS)

    Ramanathan, V.; Roberts, G.; Ramana, M. V.; Corrigan, C.; Nguyen, H.

    2006-12-01

    We report here first time demonstration with three autonomously flying Unmanned Aerial Vehicles (UAVs) of cloudy sky albedo, transmission atmospheric solar absorption, aerosol and cloud droplet concentrations and number densities. From these direct measurements we derive the direct, semi-direct and the first indirect aerosol forcing. The observing system consisted of 3 light weight UAVs, instrumented with miniaturized instruments (Roberts et al, 2006; Ramana et al, 2006; Corrigan et al 2006) for measuring aerosol concentrations and size distribution, cloud microphysical properties, black carbon concentration and broad band and narrow band solar fluxes. The airborne measurements were validated and augmented by the Atmospheric Brown Clouds Maldives Climate Observatory (ABC_MCO) in the island of Hanimaadhoo in the N. Indian Ocean (Corrigan et al, 2006; Ramana and Ramanathan 2006). The campaign was conducted during March and early April of 2006 when this region is subject to long range transport of pollution from S. Asia. In the stacked 3_UAV configuration, one flew in the boundary layer below clouds to characterize the aerosols feeding the clouds and the transmission of solar radiation by the absorbing aerosol layer and clouds above; the second inside the trade cumulus clouds to directly observe the fully nucleated cloud drop size and concentrations and total liquid water content; and the third above the cloud to determine the incoming solar and the reflected solar radiation. The 3-UAVs were programmed to sample the same region(or clouds) within seconds of each other, thus providing unique insights into how aerosols and boundary layer dynamics modulate the cloud microphysics and thus the albedo and solar absorption of cloudy skies in the planet. The period of observations also included a major dust-soot event which revealed a large increase in atmospheric solar absorption. We will present results on how 3- dimensional clouds with absorbing aerosols modulate

  2. Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

    NASA Astrophysics Data System (ADS)

    Enkovaara, J.; Rostgaard, C.; Mortensen, J. J.; Chen, J.; Dułak, M.; Ferrighi, L.; Gavnholt, J.; Glinsvad, C.; Haikola, V.; Hansen, H. A.; Kristoffersen, H. H.; Kuisma, M.; Larsen, A. H.; Lehtovaara, L.; Ljungberg, M.; Lopez-Acevedo, O.; Moses, P. G.; Ojanen, J.; Olsen, T.; Petzold, V.; Romero, N. A.; Stausholm-Møller, J.; Strange, M.; Tritsaris, G. A.; Vanin, M.; Walter, M.; Hammer, B.; Häkkinen, H.; Madsen, G. K. H.; Nieminen, R. M.; Nørskov, J. K.; Puska, M.; Rantala, T. T.; Schiøtz, J.; Thygesen, K. S.; Jacobsen, K. W.

    2010-06-01

    Electronic structure calculations have become an indispensable tool in many areas of materials science and quantum chemistry. Even though the Kohn-Sham formulation of the density-functional theory (DFT) simplifies the many-body problem significantly, one is still confronted with several numerical challenges. In this article we present the projector augmented-wave (PAW) method as implemented in the GPAW program package (https://wiki.fysik.dtu.dk/gpaw) using a uniform real-space grid representation of the electronic wavefunctions. Compared to more traditional plane wave or localized basis set approaches, real-space grids offer several advantages, most notably good computational scalability and systematic convergence properties. However, as a unique feature GPAW also facilitates a localized atomic-orbital basis set in addition to the grid. The efficient atomic basis set is complementary to the more accurate grid, and the possibility to seamlessly switch between the two representations provides great flexibility. While DFT allows one to study ground state properties, time-dependent density-functional theory (TDDFT) provides access to the excited states. We have implemented the two common formulations of TDDFT, namely the linear-response and the time propagation schemes. Electron transport calculations under finite-bias conditions can be performed with GPAW using non-equilibrium Green functions and the localized basis set. In addition to the basic features of the real-space PAW method, we also describe the implementation of selected exchange-correlation functionals, parallelization schemes, ΔSCF-method, x-ray absorption spectra, and maximally localized Wannier orbitals.

  3. EDF: Computing electron number probability distribution functions in real space from molecular wave functions

    NASA Astrophysics Data System (ADS)

    Francisco, E.; Pendás, A. Martín; Blanco, M. A.

    2008-04-01

    Given an N-electron molecule and an exhaustive partition of the real space ( R) into m arbitrary regions Ω,Ω,…,Ω ( ⋃i=1mΩ=R), the edf program computes all the probabilities P(n,n,…,n) of having exactly n electrons in Ω, n electrons in Ω,…, and n electrons ( n+n+⋯+n=N) in Ω. Each Ω may correspond to a single basin (atomic domain) or several such basins (functional group). In the later case, each atomic domain must belong to a single Ω. The program can manage both single- and multi-determinant wave functions which are read in from an aimpac-like wave function description ( .wfn) file (T.A. Keith et al., The AIMPAC95 programs, http://www.chemistry.mcmaster.ca/aimpac, 1995). For multi-determinantal wave functions a generalization of the original .wfn file has been introduced. The new format is completely backwards compatible, adding to the previous structure a description of the configuration interaction (CI) coefficients and the determinants of correlated wave functions. Besides the .wfn file, edf only needs the overlap integrals over all the atomic domains between the molecular orbitals (MO). After the P(n,n,…,n) probabilities are computed, edf obtains from them several magnitudes relevant to chemical bonding theory, such as average electronic populations and localization/delocalization indices. Regarding spin, edf may be used in two ways: with or without a splitting of the P(n,n,…,n) probabilities into α and β spin components. Program summaryProgram title: edf Catalogue identifier: AEAJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAJ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5387 No. of bytes in distributed program, including test data, etc.: 52 381 Distribution format: tar.gz Programming language: Fortran 77 Computer

  4. Pure and random quantum Ising chain: Shannon and Rényi entropies of the ground state via real space renormalization

    NASA Astrophysics Data System (ADS)

    Monthus, Cécile

    2015-04-01

    The Shannon and the Rényi entropies of the ground state wavefunction in the pure and in the random quantum Ising chain are studied via the self-dual Fernandez-Pacheco real-space renormalization procedure. In particular, we analyze the critical behavior of the leading extensive term at the quantum phase transition : the derivative with respect to the control parameter is found to be logarithmically divergent in the pure case and to display a cusp singularity in the random case. This cusp singularity for the random case is also derived via the Strong Disorder Renormalization approach.

  5. Controlling Virtual Clouds and Making it Rain Particle Systems in Real Spaces Using Situated Augmented Simulation and Portable Virtual Environments

    NASA Astrophysics Data System (ADS)

    Hedley, N.; Lonergan, C. D.

    2012-07-01

    The research described in this paper reports on the design, rationale, development and implementation of a set of new geospatial interfaces that combine multi-touch interaction, portable virtual environments, 'geosimulation gaming', and mobile augmented reality. The result is a set of new ways for us to combine the capabilities of geospatial virtual environments, augmented realitiy and geosimulation. These new hybrid interfaces deliver new geospatial information experiences - new ways of connecting spatial data, simulations, and abstract concepts to real spaces. Their potential to enhance environmental perception and learning must be explored.

  6. Photographic observation of magnetic domain structure with three-dimensional local magnetization direction

    NASA Astrophysics Data System (ADS)

    Meguro, Sakae; Akahane, Koichi; Saito, Shin

    2016-07-01

    The direction of magnetization of a magnetic material is possibly oriented three-dimensionally because of the presence of magnetic anisotropy field, self-demagnetizing field, and stray field. Therefore, the three-dimensional detection of the direction of magnetization is required. The method of magnetic domain observation by photographic imaging utilizing the Kerr effect is widely used. If the perpendicular magnetization components exist, there is a problem that obliquely incident light has superimposed longitudinal Kerr and polar Kerr effects. To perform the three-dimensional detection of magnetization direction, it is necessary to eliminate the influence of the polar Kerr effect from the Kerr effect of obliquely incident light. We report the photographic observation of the magnetic domain structure and the detection of the three-dimensional local magnetization direction using the Kerr effect, applying only an in-plane saturation magnetic field.

  7. Direct observation of molecularly-aligned molecules in the second physisorbed layer-CO/Ag(110)

    SciTech Connect

    Lee, J.-G.; Hong, S.-H.; Ahner, J.; Zhao, X.; Chen, L.; Johnson, J.K.; Yates, J.T., Jr.

    2006-01-25

    We report the direct observation of oriented second-layer physisorbed molecules on a single crystal surface by electron stimulated desorption. Experiments and simulations show that the orientation of the second-layer physisorbed CO molecules on Ag(110) is the result of both electrostatic and dispersion forces from the underlying chemisorbed CO and Ag atoms. At 25 K, the physisorbed C-O bond is tilted and azimuthally oriented with the C-O bond axis inclined in an azimuthal plane at 45° to the principal Ag( 110) azimuthal crystallographic directions. The O atom in CO is directed outward, giving an O+ beam at 43° to the normal.

  8. Directional surface plasmon coupled chemiluminescence from nickel thin films: Fixed angle observation

    NASA Astrophysics Data System (ADS)

    Weisenberg, Micah; Aslan, Kadir; Hortle, Elinor; Geddes, Chris D.

    2009-04-01

    Directional surface plasmon coupled chemiluminescence (SPCC) from nickel thin films is demonstrated. Free-space and angular-dependent SPCC emission from blue, green and turquoise chemiluminescent solutions placed onto nickel thin films attached to a hemispherical prism were measured. SPCC emission was found to be highly directional and preferentially p-polarized, in contrast to the unpolarized and isotropic chemiluminescence emission. The largest SPCC emission for all chemiluminescence solutions was observed at a fixed observation angle of 60°, which was also predicted by theoretical Fresnel calculations. It was found that nickel thin films did not have a catalytic effect on chemiluminescence emission.

  9. Direct observation of grain growth from molten silicon formed by micro-thermal-plasma-jet irradiation

    PubMed Central

    Hayashi, Shohei; Fujita, Yuji; Kamikura, Takahiro; Sakaike, Kohei; Akazawa, Muneki; Ikeda, Mitsuhisa; Hanafusa, Hiroaki; Higashi, Seiichiro

    2012-01-01

    Phase transformation of amorphous-silicon during millisecond annealing using micro-thermal-plasma-jet irradiation was directly observed using a high-speed camera with microsecond time resolution. An oval-shaped molten-silicon region adjacent to the solid phase crystallization region was clearly observed, followed by lateral large grain growth perpendicular to a liquid-solid interface. Furthermore, leading wave crystallization (LWC), which showed intermittent explosive crystallization, was discovered in front of the moving molten region. The growth mechanism of LWC has been investigated on the basis of numerical simulation implementing explosive movement of a thin liquid layer driven by released latent heat diffusion in a lateral direction. PMID:23185095

  10. Using direct clinical observation to assess the quality of cesarean delivery in Afghanistan: an exploratory study

    PubMed Central

    2014-01-01

    Background As part of a National Emergency Obstetric and Newborn Care (EmONC) Needs Assessment, a special study was undertaken in July 2010 to examine the quality of cesarean deliveries in Afghanistan and examine the utility of direct clinical observation as an assessment method in low-resource settings. Methods This cross-sectional assessment of the quality of cesareans at 14 facilities in Afghanistan included a survey of surgeons regarding their routine cesarean practices, direct observation of 29 cesarean deliveries and comparison of observations with facility records for 34 additional cesareans conducted during the 3 days prior to the observation period at each facility. For both observed cases and record reviews, we assessed time intervals between specified points of care-arrival to the ward, first evaluation, detection of a complication, decision for cesarean, incision, and birth. Results All time intervals with the exception of “decision to skin incision” were longer in the record reviews than in observed cases. Prior cesarean was the most common primary indication for all cases. All mothers in both groups observed survived through one hour postpartum. Among newborns there were two stillbirths (7%) in observed births and seven (21%) record reviews. Although our sample is too small to show statistical significance, the difference is noteworthy. In six of the reviewed cesareans resulting in stillbirth, a fetal heart rate was recorded in the operating theater, although four were recorded as macerated. For the two fresh stillbirths, the cesarean surgeries were recorded as scheduled and not urgent. Conclusions Direct observation of cesarean deliveries enabled us to assess a number of preoperative, postoperative, and intraoperative procedures that are often not described in medical records in low resource settings. Comparison of observations with findings from provider interviews and facility records allowed us to infer whether observed practices were typical

  11. Real-space electronic structure calculations with full-potential all-electron precision for transition metals

    NASA Astrophysics Data System (ADS)

    Ono, Tomoya; Heide, Marcus; Atodiresei, Nicolae; Baumeister, Paul; Tsukamoto, Shigeru; Blügel, Stefan

    2010-11-01

    We have developed an efficient computational scheme utilizing the real-space finite-difference formalism and the projector augmented-wave (PAW) method to perform precise first-principles electronic-structure simulations based on the density-functional theory for systems containing transition metals with a modest computational effort. By combining the advantages of the time-saving double-grid technique and the Fourier-filtering procedure for the projectors of pseudopotentials, we can overcome the egg box effect in the computations even for first-row elements and transition metals, which is a problem of the real-space finite-difference formalism. In order to demonstrate the potential power in terms of precision and applicability of the present scheme, we have carried out simulations to examine several bulk properties and structural energy differences between different bulk phases of transition metals and have obtained excellent agreement with the results of other precise first-principles methods such as a plane-wave-based PAW method and an all-electron full-potential linearized augmented plane-wave (FLAPW) method.

  12. Observation of trichomonads infection in a child with periodontitis by direct microscopy at the dental office.

    PubMed

    Marty, Mathieu; Bonner, Mark; Vaysse, Frédéric

    2015-09-01

    The pathogenicity of Trichomonas species is well documented. Although their exact involvement in gum disease is not fully understood, recent studies suggest a correlation between these protozoa and periodontitis. This case report details the first chair-side observation in Europe of an oral trichomonad infection in a child with periodontitis, by direct microscopy. The dramatic recovery of the patient, observed following administration of an anti-parasitic treatment, confirms the necessity of further investigation in this field. PMID:26169391

  13. Observing Grasping Actions Directed to Emotion-Laden Objects: Effects upon Corticospinal Excitability

    PubMed Central

    Nogueira-Campos, Anaelli A.; Saunier, Ghislain; Della-Maggiore, Valeria; De Oliveira, Laura A. S.; Rodrigues, Erika C.; Vargas, Claudia D.

    2016-01-01

    The motor system is recruited whenever one executes an action as well as when one observes the same action being executed by others. Although it is well established that emotion modulates the motor system, the effect of observing other individuals acting in an emotional context is particularly elusive. The main aim of this study was to investigate the effect induced by the observation of grasping directed to emotion-laden objects upon corticospinal excitability (CSE). Participants classified video-clips depicting the right-hand of an actor grasping emotion-laden objects. Twenty video-clips differing in terms of valence but balanced in arousal level were selected. Motor evoked potentials (MEPs) were then recorded from the first dorsal interosseous using transcranial magnetic stimulation (TMS) while the participants observed the selected emotional video-clips. During the video-clip presentation, TMS pulses were randomly applied at one of two different time points of grasping: (1) maximum grip aperture, and (2) object contact time. CSE was higher during the observation of grasping directed to unpleasant objects compared to pleasant ones. These results indicate that when someone observes an action of grasping directed to emotion-laden objects, the effect of the object valence promotes a specific modulation over the motor system. PMID:27625602

  14. Observing Grasping Actions Directed to Emotion-Laden Objects: Effects upon Corticospinal Excitability.

    PubMed

    Nogueira-Campos, Anaelli A; Saunier, Ghislain; Della-Maggiore, Valeria; De Oliveira, Laura A S; Rodrigues, Erika C; Vargas, Claudia D

    2016-01-01

    The motor system is recruited whenever one executes an action as well as when one observes the same action being executed by others. Although it is well established that emotion modulates the motor system, the effect of observing other individuals acting in an emotional context is particularly elusive. The main aim of this study was to investigate the effect induced by the observation of grasping directed to emotion-laden objects upon corticospinal excitability (CSE). Participants classified video-clips depicting the right-hand of an actor grasping emotion-laden objects. Twenty video-clips differing in terms of valence but balanced in arousal level were selected. Motor evoked potentials (MEPs) were then recorded from the first dorsal interosseous using transcranial magnetic stimulation (TMS) while the participants observed the selected emotional video-clips. During the video-clip presentation, TMS pulses were randomly applied at one of two different time points of grasping: (1) maximum grip aperture, and (2) object contact time. CSE was higher during the observation of grasping directed to unpleasant objects compared to pleasant ones. These results indicate that when someone observes an action of grasping directed to emotion-laden objects, the effect of the object valence promotes a specific modulation over the motor system. PMID:27625602

  15. Observations of the directional distribution of the wind energy input function over swell waves

    NASA Astrophysics Data System (ADS)

    Shabani, Behnam; Babanin, Alex V.; Baldock, Tom E.

    2016-02-01

    Field measurements of wind stress over shallow water swell traveling in different directions relative to the wind are presented. The directional distribution of the measured stresses is used to confirm the previously proposed but unverified directional distribution of the wind energy input function. The observed wind energy input function is found to follow a much narrower distribution (β∝cos⁡3.6θ) than the Plant (1982) cosine distribution. The observation of negative stress angles at large wind-wave angles, however, indicates that the onset of negative wind shearing occurs at about θ≈ 50°, and supports the use of the Snyder et al. (1981) directional distribution. Taking into account the reverse momentum transfer from swell to the wind, Snyder's proposed parameterization is found to perform exceptionally well in explaining the observed narrow directional distribution of the wind energy input function, and predicting the wind drag coefficients. The empirical coefficient (ɛ) in Snyder's parameterization is hypothesised to be a function of the wave shape parameter, with ɛ value increasing as the wave shape changes between sinusoidal, sawtooth, and sharp-crested shoaling waves.

  16. Considering Systematic Direct Observation after a Century of Research--Commentary on the Special Issue

    ERIC Educational Resources Information Center

    Stichter, Janine P.; Riley-Tillman, T. Chris

    2014-01-01

    Systematic Direct Observation (SDO) has played a pivotal role in the field of Emotional and/or Behavioral Disorders (EBD) since its inception as a key part of understanding more about the behaviors, contexts that impact them, and the effective supports necessary for this population. This methodology is an ongoing charge for everyone. The authors…

  17. The Impact of Observation Duration on the Accuracy of Data Obtained from Direct Behavior Rating (DBR)

    ERIC Educational Resources Information Center

    Riley-Tillman, T. Chris; Christ, Theodore J.; Chafouleas, Sandra M.; Boice-Mallach, Christina H.; Briesch, Amy

    2011-01-01

    In this study, evaluation of direct behavior rating (DBR) occurred with regard to two primary areas: (a) accuracy of ratings with varied instrumentation (anchoring: proportional or absolute) and procedures (observation length: 5 min, 10 min, or 20 min) and (b) one-week test-retest reliability. Participants viewed video clips of a typical third…

  18. Three-Item Direct Observation Screen (TIDOS) for Autism Spectrum Disorder

    ERIC Educational Resources Information Center

    Oner, Pinar; Oner, Ozgur; Munir, Kerim

    2014-01-01

    We compared ratings on the Three-Item Direct Observation Screen test for autism spectrum disorders completed by pediatric residents with the Social Communication Questionnaire parent reports as an augmentative tool for improving autism spectrum disorder screening performance. We examined three groups of children (18-60 months) comparable in age…

  19. Observational Learning of Academic and Social Behaviors during Small-Group Direct Instruction

    ERIC Educational Resources Information Center

    Ledford, Jennifer R.; Wolery, Mark

    2015-01-01

    Many studies have shown that small-group direct instruction is effective and efficient for teaching students with and without disabilities, although relatively few studies have been conducted with heterogeneous groups of preschool participants. In addition, previous studies have primarily assessed whether observational learning occurred for…

  20. Standardizing the Pre-Licensure Supervision Process: A Commentary on Advocating for Direct Observation of Skills

    ERIC Educational Resources Information Center

    Gray, Neal D.; Erickson, Paul

    2013-01-01

    The present paper advocates for standardized regulations and laws for supervision of pre-licensed counselors in the United States, particularly for direct observation of clinical skills. A review of regulations by the American Counseling Association (ACA) Office of Professional Affairs (2012) reveals that only two states (Arizona and North…

  1. Ethical aspects of directly observed treatment for tuberculosis: a cross-cultural comparison

    PubMed Central

    2013-01-01

    Background Tuberculosis is a major global public health challenge, and a majority of countries have adopted a version of the global strategy to fight Tuberculosis, Directly Observed Treatment, Short Course (DOTS). Drawing on results from research in Ethiopia and Norway, the aim of this paper is to highlight and discuss ethical aspects of the practice of Directly Observed Treatment (DOT) in a cross-cultural perspective. Discussion Research from Ethiopia and Norway demonstrates that the rigid enforcement of directly observed treatment conflicts with patient autonomy, dignity and integrity. The treatment practices, especially when imposed in its strictest forms, expose those who have Tuberculosis to extra burdens and costs. Socially disadvantaged groups, such as the homeless, those employed as day labourers and those lacking rights as employees, face the highest burdens. Summary From an ethical standpoint, we argue that a rigid practice of directly observed treatment is difficult to justify, and that responsiveness to social determinants of Tuberculosis should become an integral part of the management of Tuberculosis. PMID:23819555

  2. Real-Space Imaging of Carrier Dynamics of Materials Surfaces by Second-Generation Four-Dimensional Scanning Ultrafast Electron Microscopy.

    PubMed

    Sun, Jingya; Melnikov, Vasily A; Khan, Jafar I; Mohammed, Omar F

    2015-10-01

    In the fields of photocatalysis and photovoltaics, ultrafast dynamical processes, including carrier trapping and recombination on material surfaces, are among the key factors that determine the overall energy conversion efficiency. A precise knowledge of these dynamical events on the nanometer (nm) and femtosecond (fs) scales was not accessible until recently. The only way to access such fundamental processes fully is to map the surface dynamics selectively in real space and time. In this study, we establish a second generation of four-dimensional scanning ultrafast electron microscopy (4D S-UEM) and demonstrate the ability to record time-resolved images (snapshots) of material surfaces with 650 fs and ∼5 nm temporal and spatial resolutions, respectively. In this method, the surface of a specimen is excited by a clocking optical pulse and imaged using a pulsed primary electron beam as a probe pulse, generating secondary electrons (SEs), which are emitted from the surface of the specimen in a manner that is sensitive to the local electron/hole density. This method provides direct and controllable information regarding surface dynamics. We clearly demonstrate how the surface morphology, grains, defects, and nanostructured features can significantly impact the overall dynamical processes on the surface of photoactive-materials. In addition, the ability to access two regimes of dynamical probing in a single experiment and the energy loss of SEs in semiconductor-nanoscale materials will also be discussed. PMID:26722888

  3. Direct observation of size scaling and elastic interaction between nano-scale defects in collision cascades

    NASA Astrophysics Data System (ADS)

    Yi, X.; Sand, A. E.; Mason, D. R.; Kirk, M. A.; Roberts, S. G.; Nordlund, K.; Dudarev, S. L.

    2015-05-01

    Using in situ transmission electron microscopy, we have directly observed nano-scale defects formed in ultra-high-purity tungsten by low-dose high-energy self-ion irradiation at 30 K. At cryogenic temperature lattice defects have reduced mobility, so these microscope observations offer a window on the initial, primary damage caused by individual collision cascade events. Electron microscope images provide direct evidence for a power-law size distribution of nano-scale defects formed in high-energy cascades, with an upper size limit independent of the incident ion energy, as predicted by Sand et al. (EPL, 103 (2013) 46003). Furthermore, the analysis of pair distribution functions of defects observed in the micrographs shows significant intra-cascade spatial correlations consistent with strong elastic interaction between the defects.

  4. A Review of Direct Observation Research within the Past Decade in the Field of Emotional and Behavioral Disorders

    ERIC Educational Resources Information Center

    Adamson, Reesha M.; Wachsmuth, Sean T.

    2014-01-01

    This study reviewed prominent journals within the field of emotional and behavioral disorders to identify direct observation approaches, reported reliability statistics, and key features of direct observation. Selected journals were systematically reviewed for the past 10 years identifying and quantifying specific direct observation systems and…

  5. THE STRUCTURE OF A SELF-GRAVITATING PROTOPLANETARY DISK AND ITS IMPLICATIONS FOR DIRECT IMAGING OBSERVATIONS

    SciTech Connect

    Muto, Takayuki

    2011-09-20

    We consider the effects of self-gravity on the hydrostatic balance in the vertical direction of a gaseous disk and discuss the possible signature of the self-gravity that may be captured by direct imaging observations of protoplanetary disks in the future. In this paper, we consider a vertically isothermal disk in order to isolate the effects of self-gravity. The specific disk model we consider in this paper is the one with a radial surface density gap, at which the Toomre's Q-parameter of the disk varies rapidly in the radial direction. We calculate the vertical structure of the disk including the effects of self-gravity. We then calculate the scattered light and the dust thermal emission. We find that if the disk is massive enough and the effects of self-gravity come into play, a weak bump-like structure at the gap edge appears in the near-infrared (NIR) scattered light, while no such bump-like structure is seen in the submillimeter (sub-mm) dust continuum image. The appearance of the bump is caused by the variation of the height of the surface in the NIR wavelength. If such a bump-like feature is detected in future direct imaging observations, combined with sub-mm observations, it will give us useful information about the physical states of the disk.

  6. Signatures of semi-direct radiative forcing by absorbing aerosols in satellite observations and models

    NASA Astrophysics Data System (ADS)

    Wilcox, E. M.; Hosseinpour, F.; Colarco, P. R.

    2014-12-01

    Semi-direct radiative forcing of climate occurs when interactions between aerosols and radiative fluxes in the atmosphere yield a dynamical response in clouds. Semi-direct forcing is typically thought to be a positive radiative forcing whereby soot and biomass burning aerosols absorb sunlight and burn-off clouds. However, a negative semi-direct forcing is suspected in at least two regimes, the summertime Southeast Atlantic Ocean and the wintertime North Indian Ocean, where the heating profile by aerosol absorption by solar radiation is elevated above the elevation of the low clouds. Here we use a combination of satellite data and a model simulation to further characterize the signature of semi-direct radiative forcing in these two locations and elsewhere on the globe. We apply CERES albedos, Calipso profiles of aerosol extinction and cloud-top altitude, and a simulation with the Goddard Earth Observing System Model version 5 (GEOS-5) Earth system model with meteorology constrained by MERRA and an assimilation of MODIS AOT (MERRAero). to quantify the vertical heating profile by aerosols under clear and cloudy skies. We seek to determine: (1) where aerosol heating by soot and biomass burning aerosol is occurring; (2) where vertically in the column the heating is occurring relative to the observed level of low cloud development; and (3) whether the variations of albedo with aerosol forcing suggest a positive, negative, or inconclusive semi-direct radiative forcing.

  7. Mid-Cretaceous charred fossil flowers reveal direct observation of arthropod feeding strategies.

    PubMed

    Hartkopf-Fröder, Christoph; Rust, Jes; Wappler, Torsten; Friis, Else Marie; Viehofen, Agnes

    2012-04-23

    Although plant-arthropod relationships underpin the dramatic rise in diversity and ecological dominance of flowering plants and their associated arthropods, direct observations of such interactions in the fossil record are rare, as these ephemeral moments are difficult to preserve. Three-dimensionally preserved charred remains of Chloranthistemon flowers from the Late Albian to Early Cenomanian of Germany preserve scales of mosquitoes and an oribatid mite with mouthparts inserted into the pollen sac. Mosquitoes, which today are frequent nectar feeders, and the mite were feeding on pollen at the time wildfire consumed the flowers. These findings document directly arthropod feeding strategies and their role in decomposition. PMID:21900310

  8. Mid-Cretaceous charred fossil flowers reveal direct observation of arthropod feeding strategies

    PubMed Central

    Hartkopf-Fröder, Christoph; Rust, Jes; Wappler, Torsten; Friis, Else Marie; Viehofen, Agnes

    2012-01-01

    Although plant–arthropod relationships underpin the dramatic rise in diversity and ecological dominance of flowering plants and their associated arthropods, direct observations of such interactions in the fossil record are rare, as these ephemeral moments are difficult to preserve. Three-dimensionally preserved charred remains of Chloranthistemon flowers from the Late Albian to Early Cenomanian of Germany preserve scales of mosquitoes and an oribatid mite with mouthparts inserted into the pollen sac. Mosquitoes, which today are frequent nectar feeders, and the mite were feeding on pollen at the time wildfire consumed the flowers. These findings document directly arthropod feeding strategies and their role in decomposition. PMID:21900310

  9. Quasar Redshifts from S-CAM Observations: Direct Colour Determination of ~12 Gyr-old Photons

    NASA Astrophysics Data System (ADS)

    de Bruijne, J. H. J.; Reynolds, A. P.; Perryman, M. A. C.; Peacock, A.; Favata, F.; Rando, N.; Martin, D.; Verhoeve, P.; Christlieb, N.

    2002-10-01

    CCDs have revolutionised astronomy in the last quarter of the 20th century, yet measuring energy distributions of celestial objects still requires the indirect methods of filter photometry or dispersive spectroscopy. The development of superconducting tunnel junction (STJ) detectors has opened up the possibility of measuring individual optical photon energies directly. The first time-and spectrally-resolved observations of cataclysmic variables and pulsars using these techniques have been reported, and the first direct measurements of the redshifts of quasars using an imaging detector with intrinsic energy resolution were published early this year.

  10. Ab initio molecular dynamics simulations of the static, dynamic and electronic properties of liquid lead using real-space pseudopotentials

    SciTech Connect

    Alemany, Manuel M. G.; Longo, Roberto; Gallego, Luis; Gonzales, D. J.; Gonzales, L. E.; Tiago, Murilo L; Chelikowsky, James

    2007-01-01

    We performed a comprehensive study of the static, dynamic and electronic properties of liquid Pb at T = 650 kelvins, density 0.0309 angstroms^{-3} by means of 216-particle ab initio molecular dynamics simulations based on a real-space implementation of pseudopotentials constructed within density-functional theory. The predicted results and available experimental data are very in good agreement, which confirms the adequacy of this technique to achieve a reliable description of the behavior of liquid metals, including their dynamic properties. Although some of the computed properties of liquid Pb are similar to those of simple liquid metals, others differ markedly. Our results show that an appropriate description of liquid Pb requires the inclusion of relativistic effects in the determination of the pseudopotentials of Pb.

  11. Raman spectra calculations for Si-Ge core-shell nanocrystals using ab initio real-space methods

    NASA Astrophysics Data System (ADS)

    Bobbitt, N. Scott; Chelikowsky, James R.

    We use a real-space pseudopotential method within density functional theory to calculate Raman spectra for Si-Ge core-shell nanocrystals. We examine the lattice strain induced by the interface of the core and the shell. We calculate how this strain affects the vibrational modes and Raman spectra. We also find that the relative size of the Si and Ge peaks in the Raman spectrum is proportional to the size of the Si core and Ge shell regions, which suggests that Raman spectroscopy can be used to experimentally determine the relative size of the core and the outer shell in these nanocrystals. This work is supported by the DOE under Grant Number DE-FG02-06ER46286. Computations were performed on machines at TACC and NERSC.

  12. Gravity Waves Generated by Convection: A New Idealized Model Tool and Direct Validation with Satellite Observations

    NASA Astrophysics Data System (ADS)

    Alexander, M. Joan; Stephan, Claudia

    2015-04-01

    In climate models, gravity waves remain too poorly resolved to be directly modelled. Instead, simplified parameterizations are used to include gravity wave effects on model winds. A few climate models link some of the parameterized waves to convective sources, providing a mechanism for feedback between changes in convection and gravity wave-driven changes in circulation in the tropics and above high-latitude storms. These convective wave parameterizations are based on limited case studies with cloud-resolving models, but they are poorly constrained by observational validation, and tuning parameters have large uncertainties. Our new work distills results from complex, full-physics cloud-resolving model studies to essential variables for gravity wave generation. We use the Weather Research Forecast (WRF) model to study relationships between precipitation, latent heating/cooling and other cloud properties to the spectrum of gravity wave momentum flux above midlatitude storm systems. Results show the gravity wave spectrum is surprisingly insensitive to the representation of microphysics in WRF. This is good news for use of these models for gravity wave parameterization development since microphysical properties are a key uncertainty. We further use the full-physics cloud-resolving model as a tool to directly link observed precipitation variability to gravity wave generation. We show that waves in an idealized model forced with radar-observed precipitation can quantitatively reproduce instantaneous satellite-observed features of the gravity wave field above storms, which is a powerful validation of our understanding of waves generated by convection. The idealized model directly links observations of surface precipitation to observed waves in the stratosphere, and the simplicity of the model permits deep/large-area domains for studies of wave-mean flow interactions. This unique validated model tool permits quantitative studies of gravity wave driving of regional

  13. Validation of simulated flow direction and hydraulic gradients with hydraulic head observations using open source GIS

    NASA Astrophysics Data System (ADS)

    Vandersteen, Katrijn; Rogiers, Bart; Gedeon, Matej

    2015-04-01

    It is recommended to check hydraulic gradients and flow directions predicted by a groundwater flow model that is calibrated solely with hydraulic head observations. It has been demonstrated in literature that substantial errors can be made when the model is not calibrated on these state variables. Therefore, in this work, we perform a validation of a steady-state groundwater flow model, representing part of the Neogene aquifer (60 km2) in Belgium. This model was developed and calibrated solely on groundwater head measurements, in the framework of the environmental impact assessment of the near surface repository for low- and intermediate-level short-lived waste, realized by ONDRAF/NIRAS at Dessel, Belgium. Horizontal flow directions, horizontal and vertical gradients for the entire area of the groundwater model were estimated from measurements at shallow monitoring wells within the groundwater flow model domain, and compared to the flow directions and vertical gradients predicted by the model. For obtaining horizontal flow directions and gradients, triangulation of groundwater levels was performed for combinations of three neighboring hydraulic head observations in the same hydrogeological layer within the model. The simulated equivalents at the same monitoring wells were used to repeat the same methodology, and calculate flow direction components. This analysis was performed in SAGA GIS and was visualized through QGIS. Comparison of the flow directions and flow gradients obtained from measurements and simulations gives an indication on the model performance. The calculations were performed for three sandy hydrogeological units used in the model. A similar procedure was performed for the vertical hydraulic head gradients, where any combination of two hydraulic head observations at the same location but at different levels within the aquifer were used to validate the vertical gradients predicted by the model. Besides model validation on average hydraulic heads, the

  14. Using Surface Observations to Constrain the Direction and Magnitude of Mantle Flow Beneath Western North America

    NASA Astrophysics Data System (ADS)

    Holt, W. E.; Silver, P. G.

    2001-12-01

    While the motions of the surface tectonic plates are well determined, the accompanying horizontal mantle flow is not. Observations of surface deformation (GPS velocities and Quaternary fault slip rates) and upper mantle seismic anisotropy are combined for the first time, to provide a direct estimate of this flow field. We apply our investigation to western North America where seismic tomography shows a relatively thin lithosphere. Here the likely source of shear wave anisotropy results from a deformation fabric associated with the differential horizontal motion between the base of the lithosphere and the underlying mantle. For a vertically propagating shear wave recorded at a single station, and for mantle strains of order unity, the fast polarization direction, φ , of a split shear wave will be parallel to the direction of progressive simple shear, defined by this differential motion between lithosphere and underlying mantle. If the motion of the overlying lithospehre is known both within and across a plate boundary zone, such as western North America, then the direction and magnitude of mantle flow beneath the plate boundary zone can be uniquely determined with three or more observations of fast polarization directions. Within the Pacific-North American Plate boundary zone in western North America we find that the mantle velocity is 5.0+/-1.5 cm/yr and directed E-NE in a hotspot frame, nearly opposite to the direction of North American plate motion (WSW). The flow is only weakly coupled to the motion of the surface plates, producing a weak drag force. This flow field is most likely due to mantle density heterogeneity associated with the sinking of the old Farallon slab beneath North America. The last few decades have seen the development of two basically incompatible views of the plate-mantle system. The tectonophysical view assumes effective decoupling between the plate and a stationary mantle by a well developed asthenosphere. The plates are essentially 'self

  15. Direct Spectroscopic Observation of a Shallow Hydrogenlike Donor State in Insulating SrTiO3

    NASA Astrophysics Data System (ADS)

    Salman, Z.; Prokscha, T.; Amato, A.; Morenzoni, E.; Scheuermann, R.; Sedlak, K.; Suter, A.

    2014-10-01

    We present a direct spectroscopic observation of a shallow hydrogenlike muonium state in SrTiO3 which confirms the theoretical prediction that interstitial hydrogen may act as a shallow donor in this material. The formation of this muonium state is temperature dependent and appears below ˜70 K. From the temperature dependence we estimate an activation energy of ˜50 meV in the bulk and ˜23 meV near the free surface. The field and directional dependence of the muonium precession frequencies further supports the shallow impurity state with a rare example of a fully anisotropic hyperfine tensor. From these measurements we determine the strength of the hyperfine interaction and propose that the muon occupies an interstitial site near the face of the oxygen octahedron in SrTiO3. The observed shallow donor state provides new insight for tailoring the electronic and optical properties of SrTiO3-based oxide interface systems.

  16. Direct observation of electric field induced pattern formation and particle aggregation in ferrofluids

    SciTech Connect

    Rajnak, Michal; Kopcansky, Peter; Timko, Milan; Petrenko, Viktor I.; Avdeev, Mikhail V.; Ivankov, Olexandr I.; Feoktystov, Artem; Dolnik, Bystrik; Kurimsky, Juraj

    2015-08-17

    Ferrofluids typically respond to magnetic fields and can be manipulated by external magnetic fields. Here, we report on formation of visually observable patterns in a diluted low-polarity ferrofluid exposed to external electric fields. This presents a specific type of ferrofluid structure driven by a combined effect of electrohydrodynamics and electrical body forces. The free charge and permittivity variation are considered to play a key role in the observed phenomenon. The corresponding changes in the ferrofluid structure have been found at nanoscale as well. By small-angle neutron scattering (SANS), we show that the magnetic nanoparticles aggregate in direct current (dc) electric field with a strong dependence on the field intensity. The anisotropic aggregates preferably orient in the direction of the applied electric field. Conducting SANS experiments with alternating current (ac) electric fields of various frequencies, we found a critical frequency triggering the aggregation process. Our experimental study could open future applications of ferrofluids based on insulating liquids.

  17. Direct observation of dark excitons in individual carbon nanotubes: inhomogeneity in the exchange splitting.

    PubMed

    Srivastava, Ajit; Htoon, Han; Klimov, Victor I; Kono, Junichiro

    2008-08-22

    We report the direct observation of spin-singlet dark excitons in individual single-walled carbon nanotubes through low-temperature micro-magneto-photoluminescence spectroscopy. A magnetic field (B) applied along the tube axis brightened the dark state, leading to the emergence of a new emission peak. The peak rapidly grew in intensity with increasing B at the expense of the originally dominated bright exciton peak and became dominant at B>3 T. This behavior, universally observed for more than 50 tubes of different chiralities, can be quantitatively modeled by incorporating the Aharonov-Bohm effect and intervalley Coulomb mixing. The directly measured dark-bright splitting values were 1-4 meV for tube diameters 1.0-1.3 nm. Scatter in the splitting value emphasizes the role of the local environment surrounding a nanotube in determining its excitonic fine structure. PMID:18764659

  18. Direct observation of electric field induced pattern formation and particle aggregation in ferrofluids

    NASA Astrophysics Data System (ADS)

    Rajnak, Michal; Petrenko, Viktor I.; Avdeev, Mikhail V.; Ivankov, Olexandr I.; Feoktystov, Artem; Dolnik, Bystrik; Kurimsky, Juraj; Kopcansky, Peter; Timko, Milan

    2015-08-01

    Ferrofluids typically respond to magnetic fields and can be manipulated by external magnetic fields. Here, we report on formation of visually observable patterns in a diluted low-polarity ferrofluid exposed to external electric fields. This presents a specific type of ferrofluid structure driven by a combined effect of electrohydrodynamics and electrical body forces. The free charge and permittivity variation are considered to play a key role in the observed phenomenon. The corresponding changes in the ferrofluid structure have been found at nanoscale as well. By small-angle neutron scattering (SANS), we show that the magnetic nanoparticles aggregate in direct current (dc) electric field with a strong dependence on the field intensity. The anisotropic aggregates preferably orient in the direction of the applied electric field. Conducting SANS experiments with alternating current (ac) electric fields of various frequencies, we found a critical frequency triggering the aggregation process. Our experimental study could open future applications of ferrofluids based on insulating liquids.

  19. Microbunching instability in relativistic electron bunches: direct observations of the microstructures using ultrafast YBCO detectors.

    PubMed

    Roussel, E; Evain, C; Szwaj, C; Bielawski, S; Raasch, J; Thoma, P; Scheuring, A; Hofherr, M; Ilin, K; Wünsch, S; Siegel, M; Hosaka, M; Yamamoto, N; Takashima, Y; Zen, H; Konomi, T; Adachi, M; Kimura, S; Katoh, M

    2014-08-29

    Relativistic electron bunches circulating in accelerators are subjected to a dynamical instability leading to microstructures at millimeter to centimeter scale. Although this is a well-known fact, direct experimental observations of the structures, or the field that they emit, remained up to now an open problem. Here, we report the direct, shot-by-shot, time-resolved recording of the shapes (including envelope and carrier) of the pulses of coherent synchrotron radiation that are emitted, and that are a "signature" of the electron bunch microstructure. The experiments are performed on the UVSOR-III storage ring, using electrical field sensitive YBa2Cu3O(7-x) thin-film ultrafast detectors. The observed patterns are subjected to permanent drifts, that can be explained from a reasoning in phase space, using macroparticle simulations. PMID:25215987

  20. Determination of acceleration mechanism characteristics directly and nonparametrically from observations: Application to supernova remnants

    NASA Astrophysics Data System (ADS)

    Petrosian, Vahé; Chen, Qingrong

    2014-05-01

    We have developed an inversion method for determination of the characteristics of the acceleration mechanism directly and nonparametrically from observations, in contrast to the usual forward fitting of parametric model variables to observations. In two recent papers [V. Petrosian and Q. Chen, Astrophys. J. 712, L131 (2010); Q. Chen and V. Petrosian, Astrophys. J. 777, 33 (2013)], we demonstrated the efficacy of this inversion method by its application to acceleration of electrons in solar flares based on stochastic acceleration by turbulence. Here we explore its application for determining the characteristics of shock acceleration in supernova remnants (SNRs) based on the electron spectra deduced from the observed nonthermal radiation from SNRs and the spectrum of the cosmic ray electrons observed near the Earth. These spectra are related by the process of escape of the electrons from SNRs and energy loss during their transport in the Galaxy. Thus, these observations allow us to determine spectral characteristics of the momentum and pitch angle diffusion coefficients, which play crucial roles in both direct acceleration by turbulence and in high Mach number shocks. Assuming that the average electron spectrum deduced from a few well-known SNRs is representative of those in the solar neighborhood, we find interesting discrepancies between our deduced forms for these coefficients and those expected from well-known wave-particle interactions. This may indicate that the standard assumptions made in the treatment of shock acceleration need revision. In particular, the escape of particles from SNRs may be more complex than generally assumed.

  1. Direct Observation of Gigahertz Coherent Guided Acoustic Phonons in Free-Standing Single Copper Nanowires.

    PubMed

    Jean, Cyril; Belliard, Laurent; Cornelius, Thomas W; Thomas, Olivier; Toimil-Molares, Maria Eugenia; Cassinelli, Marco; Becerra, Loïc; Perrin, Bernard

    2014-12-01

    We report on gigahertz acoustic phonon waveguiding in free-standing single copper nanowires studied by femtosecond transient reflectivity measurements. The results are discussed on the basis of the semianalytical resolution of the Pochhammer and Chree equation. The spreading of the generated Gaussian wave packet of two different modes is derived analytically and compared with the observed oscillations of the sample reflectivity. These experiments provide a unique way to independently obtain geometrical and material characterization. This direct observation of coherent guided acoustic phonons in a single nano-object is also the first step toward nanolateral size acoustic transducer and comprehensive studies of the thermal properties of nanowires. PMID:26278939

  2. Direct observation of charge mediated lattice distortions in complex oxide solid solutions

    SciTech Connect

    Sang, Xiahan; Grimley, Everett D.; Niu, Changning; Irving, Douglas L.; LeBeau, James M.

    2015-02-09

    Using aberration corrected scanning transmission electron microscopy combined with advanced imaging methods, we directly observe atom column specific, picometer-scale displacements induced by local chemistry in a complex oxide solid solution. Displacements predicted from density functional theory were found to correlate with the observed experimental trends. Further analysis of bonding and charge distribution was used to clarify the mechanisms responsible for the detected structural behavior. By extending the experimental electron microscopy measurements to previously inaccessible length scales, we identified correlated atomic displacements linked to bond differences within the complex oxide structure.

  3. Direct observation of surface plasmons in YBCO by attenuated total reflection of light in the infrared

    NASA Astrophysics Data System (ADS)

    Walmsley, D. G.; Smyth, C. C.; Sellai, A.; McCafferty, P. G.; Dawson, P.; Morrow, T.; Graham, W. G.

    1994-02-01

    Surface plasmons have been observed directly in YBCO films in an Otto-geometry attenuated total reflection measurement at a wavelength of 3.392 μm. The laser deposited films are c-axis oriented on an MgO substrate. This observation confirms theoretical deductions from complex dielectric function data. Measured data have been fitted to a theoretical model and are compared with the optical constants determined by Bozovic [1]. The investigations have been extended to films with other orientations to investigate whether material anisotropy is reflected in the results and non-metallic behaviour is found.

  4. Real-space measurement of potential distribution in PECVD ONO electrets by Kelvin probe force microscopy

    NASA Astrophysics Data System (ADS)

    Emmerich, F.; Thielemann, C.

    2016-05-01

    Multilayers of silicon oxide/silicon nitride/silicon oxide (ONO) are known for their good electret properties due to deep energy traps near the material interfaces, facilitating charge storage. However, measurement of the space charge distribution in such multilayers is a challenge for conventional methods if layer thickness dimensions shrink below 1 μm. In this paper, we propose an atomic force microscope based method to determine charge distributions in ONO layers with spatial resolution below 100 nm. By applying Kelvin probe force microscopy (KPFM) on freshly cleaved, corona-charged multilayers, the surface potential is measured directly along the z-axis and across the interfaces. This new method gives insights into charge distribution and charge movement in inorganic electrets with a high spatial resolution.

  5. Real-space quadrature: A convenient, efficient representation for multipole expansions

    NASA Astrophysics Data System (ADS)

    Rogers, David M.

    2015-02-01

    Multipoles are central to the theory and modeling of polarizable and nonpolarizable molecular electrostatics. This has made a representation in terms of point charges a highly sought after goal, since rotation of multipoles is a bottleneck in molecular dynamics implementations. All known point charge representations are orders of magnitude less efficient than spherical harmonics due to either using too many fixed charge locations or due to nonlinear fitting of fewer charge locations. We present the first complete solution to this problem—completely replacing spherical harmonic basis functions by a dramatically simpler set of weights associated to fixed, discrete points on a sphere. This representation is shown to be space optimal. It reduces the spherical harmonic decomposition of Poisson's operator to pairwise summations over the point set. As a corollary, we also shows exact quadrature-based formulas for contraction over trace-free supersymmetric 3D tensors. Moreover, multiplication of spherical harmonic basis functions translates to a direct product in this representation.

  6. Real-space measurement of potential distribution in PECVD ONO electrets by Kelvin probe force microscopy.

    PubMed

    Emmerich, F; Thielemann, C

    2016-05-20

    Multilayers of silicon oxide/silicon nitride/silicon oxide (ONO) are known for their good electret properties due to deep energy traps near the material interfaces, facilitating charge storage. However, measurement of the space charge distribution in such multilayers is a challenge for conventional methods if layer thickness dimensions shrink below 1 μm. In this paper, we propose an atomic force microscope based method to determine charge distributions in ONO layers with spatial resolution below 100 nm. By applying Kelvin probe force microscopy (KPFM) on freshly cleaved, corona-charged multilayers, the surface potential is measured directly along the z-axis and across the interfaces. This new method gives insights into charge distribution and charge movement in inorganic electrets with a high spatial resolution. PMID:27053633

  7. Direct time-domain observation of laser pulse filaments in transparent media

    SciTech Connect

    Dachraoui, H.; Oberer, C.; Michelswirth,; Heinzmann, U.

    2010-10-15

    The interplay among self-focusing, energy depletion, and plasma formation is fundamental to the understanding of laser-matter interaction. In this article, we present the first direct time-resolved observations of the propagation of intense femtosecond laser pulses experiencing conical emission, self-focusing, self-guiding, beam filamentation, plasma defocusing, and continuum generation in wide-band-gap dielectrics. We demonstrate that continuum generation involves different mechanisms as a function of deposited energy.

  8. Controllability and observability analysis for vertex domination centrality in directed networks

    NASA Astrophysics Data System (ADS)

    Wang, Bingbo; Gao, Lin; Gao, Yong; Deng, Yue; Wang, Yu

    2014-06-01

    Topological centrality is a significant measure for characterising the relative importance of a node in a complex network. For directed networks that model dynamic processes, however, it is of more practical importance to quantify a vertex's ability to dominate (control or observe) the state of other vertices. In this paper, based on the determination of controllable and observable subspaces under the global minimum-cost condition, we introduce a novel direction-specific index, domination centrality, to assess the intervention capabilities of vertices in a directed network. Statistical studies demonstrate that the domination centrality is, to a great extent, encoded by the underlying network's degree distribution and that most network positions through which one can intervene in a system are vertices with high domination centrality rather than network hubs. To analyse the interaction and functional dependence between vertices when they are used to dominate a network, we define the domination similarity and detect significant functional modules in glossary and metabolic networks through clustering analysis. The experimental results provide strong evidence that our indices are effective and practical in accurately depicting the structure of directed networks.

  9. Controllability and observability analysis for vertex domination centrality in directed networks.

    PubMed

    Wang, Bingbo; Gao, Lin; Gao, Yong; Deng, Yue; Wang, Yu

    2014-01-01

    Topological centrality is a significant measure for characterising the relative importance of a node in a complex network. For directed networks that model dynamic processes, however, it is of more practical importance to quantify a vertex's ability to dominate (control or observe) the state of other vertices. In this paper, based on the determination of controllable and observable subspaces under the global minimum-cost condition, we introduce a novel direction-specific index, domination centrality, to assess the intervention capabilities of vertices in a directed network. Statistical studies demonstrate that the domination centrality is, to a great extent, encoded by the underlying network's degree distribution and that most network positions through which one can intervene in a system are vertices with high domination centrality rather than network hubs. To analyse the interaction and functional dependence between vertices when they are used to dominate a network, we define the domination similarity and detect significant functional modules in glossary and metabolic networks through clustering analysis. The experimental results provide strong evidence that our indices are effective and practical in accurately depicting the structure of directed networks. PMID:24954137

  10. Warming experiments elucidate the drivers of observed directional changes in tundra vegetation

    PubMed Central

    Hollister, Robert D; May, Jeremy L; Kremers, Kelseyann S; Tweedie, Craig E; Oberbauer, Steven F; Liebig, Jennifer A; Botting, Timothy F; Barrett, Robert T; Gregory, Jessica L

    2015-01-01

    Few studies have clearly linked long-term monitoring with in situ experiments to clarify potential drivers of observed change at a given site. This is especially necessary when findings from a site are applied to a much broader geographic area. Here, we document vegetation change at Barrow and Atqasuk, Alaska, occurring naturally and due to experimental warming over nearly two decades. An examination of plant cover, canopy height, and community indices showed more significant differences between years than due to experimental warming. However, changes with warming were more consistent than changes between years and were cumulative in many cases. Most cases of directional change observed in the control plots over time corresponded with a directional change in response to experimental warming. These included increases in canopy height and decreases in lichen cover. Experimental warming resulted in additional increases in evergreen shrub cover and decreases in diversity and bryophyte cover. This study suggests that the directional changes occurring at the sites are primarily due to warming and indicates that further changes are likely in the next two decades if the regional warming trend continues. These findings provide an example of the utility of coupling in situ experiments with long-term monitoring to accurately document vegetation change in response to global change and to identify the underlying mechanisms driving observed changes. PMID:26140204

  11. Anisotropic magnification distortion of the 3D galaxy correlation. I. Real space

    SciTech Connect

    Hui, Lam; LoVerde, Marilena; Gaztanaga, Enrique

    2007-11-15

    It has long been known that gravitational lensing, primarily via magnification bias, modifies the observed galaxy (or quasar) clustering. Such discussions have largely focused on the 2D angular correlation function. Here and in paper II [L. Hui, E. Gaztanaga, and M. LoVerde, arXiv:0710.4191] we explore how magnification bias distorts the 3D correlation function and power spectrum, as first considered by Matsubara [Astrophys. J. Lett. 537, L77 (2000).]. The interesting point is that the distortion is anisotropic. Magnification bias in general preferentially enhances the observed correlation in the line-of-sight (LOS) orientation, especially on large scales. For instance, at a LOS separation of {approx}100 Mpc/h, where the intrinsic galaxy-galaxy correlation is rather weak, the observed correlation can be enhanced by lensing by a factor of a few, even at a modest redshift of z{approx}0.35. This effect presents an interesting opportunity as well as a challenge. The opportunity: this lensing anisotropy is distinctive, making it possible to separately measure the galaxy-galaxy, galaxy-magnification, and magnification-magnification correlations, without measuring galaxy shapes. The anisotropy is distinguishable from the well-known distortion due to peculiar motions, as will be discussed in paper II. The challenge: the magnification distortion of the galaxy correlation must be accounted for in interpreting data as precision improves. For instance, the {approx}100 Mpc/h baryon acoustic oscillation scale in the correlation function is shifted by up to {approx}3% in the LOS orientation, and up to {approx}0.6% in the monopole, depending on the galaxy bias, redshift, and number count slope. The corresponding shifts in the inferred Hubble parameter and angular diameter distance, if ignored, could significantly bias measurements of the dark energy equation of state. Lastly, magnification distortion offers a plausible explanation for the well-known excess correlations seen in

  12. Real-space quadrature: A convenient, efficient representation for multipole expansions

    SciTech Connect

    Rogers, David M.

    2015-02-21

    Multipoles are central to the theory and modeling of polarizable and nonpolarizable molecular electrostatics. This has made a representation in terms of point charges a highly sought after goal, since rotation of multipoles is a bottleneck in molecular dynamics implementations. All known point charge representations are orders of magnitude less efficient than spherical harmonics due to either using too many fixed charge locations or due to nonlinear fitting of fewer charge locations. We present the first complete solution to this problem—completely replacing spherical harmonic basis functions by a dramatically simpler set of weights associated to fixed, discrete points on a sphere. This representation is shown to be space optimal. It reduces the spherical harmonic decomposition of Poisson’s operator to pairwise summations over the point set. As a corollary, we also shows exact quadrature-based formulas for contraction over trace-free supersymmetric 3D tensors. Moreover, multiplication of spherical harmonic basis functions translates to a direct product in this representation.

  13. Real-space imaging of the Verwey transition at the (100) surface of magnetite

    NASA Astrophysics Data System (ADS)

    de la Figuera, Juan; Novotny, Zbynek; Setvin, Martin; Liu, Tijiang; Mao, Zhiqiang; Chen, Gong; N'Diaye, Alpha T.; Schmid, Michael; Diebold, Ulrike; Schmid, Andreas K.; Parkinson, Gareth S.

    2013-10-01

    Effects of the Verwey transition on the (100) surface of magnetite were studied using scanning tunneling microscopy and spin polarized low-energy electron microscopy. On cooling through the transition temperature TV, the initially flat surface undergoes a rooflike distortion with a periodicity of ˜0.5 μm due to ferroelastic twinning within monoclinic domains of the low-temperature monoclinic structure. The monoclinic c axis orients in the surface plane, along the [001]c directions. At the atomic scale, the charge-ordered (2×2)R45∘ reconstruction of the (100) surface is unperturbed by the bulk transition, and is continuous over the twin boundaries. Time resolved low-energy electron microscopy movies reveal the structural transition to be first order at the surface, indicating that the bulk transition is not an extension of the Verwey-like (2×2)R45∘ reconstruction. Although conceptually similar, the charge-ordered phases of the (100) surface and sub-TV bulk of magnetite are unrelated phenomena.

  14. Full data acquisition in Kelvin Probe Force Microscopy: Mapping dynamic electric phenomena in real space

    PubMed Central

    Collins, Liam; Belianinov, Alex; Somnath, Suhas; Balke, Nina; Kalinin, Sergei V.; Jesse, Stephen

    2016-01-01

    Kelvin probe force microscopy (KPFM) has provided deep insights into the local electronic, ionic and electrochemical functionalities in a broad range of materials and devices. In classical KPFM, which utilizes heterodyne detection and closed loop bias feedback, the cantilever response is down-sampled to a single measurement of the contact potential difference (CPD) per pixel. This level of detail, however, is insufficient for materials and devices involving bias and time dependent electrochemical events; or at solid-liquid interfaces, where non-linear or lossy dielectrics are present. Here, we demonstrate direct recovery of the bias dependence of the electrostatic force at high temporal resolution using General acquisition Mode (G-Mode) KPFM. G-Mode KPFM utilizes high speed detection, compression, and storage of the raw cantilever deflection signal in its entirety at high sampling rates. We show how G-Mode KPFM can be used to capture nanoscale CPD and capacitance information with a temporal resolution much faster than the cantilever bandwidth, determined by the modulation frequency of the AC voltage. In this way, G-Mode KPFM offers a new paradigm to study dynamic electric phenomena in electroactive interfaces as well as a promising route to extend KPFM to the solid-liquid interface. PMID:27514987

  15. Real-space quadrature: a convenient, efficient representation for multipole expansions.

    PubMed

    Rogers, David M

    2015-02-21

    Multipoles are central to the theory and modeling of polarizable and nonpolarizable molecular electrostatics. This has made a representation in terms of point charges a highly sought after goal, since rotation of multipoles is a bottleneck in molecular dynamics implementations. All known point charge representations are orders of magnitude less efficient than spherical harmonics due to either using too many fixed charge locations or due to nonlinear fitting of fewer charge locations. We present the first complete solution to this problem-completely replacing spherical harmonic basis functions by a dramatically simpler set of weights associated to fixed, discrete points on a sphere. This representation is shown to be space optimal. It reduces the spherical harmonic decomposition of Poisson's operator to pairwise summations over the point set. As a corollary, we also shows exact quadrature-based formulas for contraction over trace-free supersymmetric 3D tensors. Moreover, multiplication of spherical harmonic basis functions translates to a direct product in this representation. PMID:25701996

  16. Full data acquisition in Kelvin Probe Force Microscopy: Mapping dynamic electric phenomena in real space.

    PubMed

    Collins, Liam; Belianinov, Alex; Somnath, Suhas; Balke, Nina; Kalinin, Sergei V; Jesse, Stephen

    2016-01-01

    Kelvin probe force microscopy (KPFM) has provided deep insights into the local electronic, ionic and electrochemical functionalities in a broad range of materials and devices. In classical KPFM, which utilizes heterodyne detection and closed loop bias feedback, the cantilever response is down-sampled to a single measurement of the contact potential difference (CPD) per pixel. This level of detail, however, is insufficient for materials and devices involving bias and time dependent electrochemical events; or at solid-liquid interfaces, where non-linear or lossy dielectrics are present. Here, we demonstrate direct recovery of the bias dependence of the electrostatic force at high temporal resolution using General acquisition Mode (G-Mode) KPFM. G-Mode KPFM utilizes high speed detection, compression, and storage of the raw cantilever deflection signal in its entirety at high sampling rates. We show how G-Mode KPFM can be used to capture nanoscale CPD and capacitance information with a temporal resolution much faster than the cantilever bandwidth, determined by the modulation frequency of the AC voltage. In this way, G-Mode KPFM offers a new paradigm to study dynamic electric phenomena in electroactive interfaces as well as a promising route to extend KPFM to the solid-liquid interface. PMID:27514987

  17. Real-space finite difference scheme for the von Neumann equation with the Dirac Hamiltonian

    NASA Astrophysics Data System (ADS)

    Schreilechner, Magdalena; Pötz, Walter

    2016-07-01

    A finite difference scheme for the numerical treatment of the von Neumann equation for the (2+1)D Dirac Hamiltonian is presented. It is based on a sequential left-right (ket-bra) application of a staggered space-time scheme for the pure-state Dirac equation and offers a numerical treatment of the general mixed-state dynamics of an isolated quantum system within the von Neumann equation. Thereby this direct scheme inherits all the favorable features of the finite-difference scheme for the pure-state Dirac equation, such as the single-cone energy-momentum dispersion, convergence conditions, and scaling behavior. A conserved functional is identified. Moreover this scheme is shown to conserve both Hermiticity and positivity. Numerical tests comprise a numerical analysis of stability, as well as the simulation of a mixed-state time-evolution of Gaussian wave functions, illustrating Zitterbewegung and transverse current oscillations. Imaginary-potential absorbing boundary conditions and parameters which pertain to topological insulator surface states were used in the numerical simulations.

  18. Direct observation of imprinted antiferromagnetic vortex state in CoO/Fe/Ag(001) disks

    SciTech Connect

    Wu, J.; Carlton, D.; Park, J. S.; Meng, Y.; Arenholz, E.; Doran, A.; Young, A.T.; Scholl, A.; Hwang, C.; Zhao, H. W.; Bokor, J.; Qiu, Z. Q.

    2010-12-21

    In magnetic thin films, a magnetic vortex is a state in which the magnetization vector curls around the center of a confined structure. A vortex state in a thin film disk, for example, is a topological object characterized by the vortex polarity and the winding number. In ferromagnetic (FM) disks, these parameters govern many fundamental properties of the vortex such as its gyroscopic rotation, polarity reversal, core motion, and vortex pair excitation. However, in antiferromagnetic (AFM) disks, though there has been indirect evidence of the vortex state through observations of the induced FM-ordered spins in the AFM disk, they have never been observed directly in experiment. By fabricating single crystalline NiO/Fe/Ag(001) and CoO/Fe/Ag(001) disks and using X-ray Magnetic Linear Dichroism (XMLD), we show direct observation of the vortex state in an AFM disk of AFM/FM bilayer system. We observe that there are two types of AFM vortices, one of which has no analog in FM structures. Finally, we show that a frozen AFM vortex can bias a FM vortex at low temperature.

  19. Home Videophones Improve Direct Observation in Tuberculosis Treatment: A Mixed Methods Evaluation

    PubMed Central

    Wade, Victoria A.; Karnon, Jonathan; Eliott, Jaklin A.; Hiller, Janet E.

    2012-01-01

    Background The use of direct observation to monitor tuberculosis treatment is controversial: cost, practical difficulties, and lack of patient acceptability limit effectiveness. Telehealth is a promising alternative delivery method for improving implementation. This study aimed to evaluate the clinical and cost-effectiveness of a telehealth service delivering direct observation, compared to an in-person drive-around service. Methodology/Principal Findings The study was conducted within a community nursing service in South Australia. Telehealth patients received daily video calls at home on a desktop videophone provided by the nursing call center. A retrospective cohort study assessed the effectiveness of the telehealth and traditional forms of observation, defined by the proportion of missed observations recorded in case notes. This data was inputted to a model, estimating the incremental cost-effectiveness ratio (ICER) of telehealth. Semi-structured interviews were conducted with current patients, community nursing and Chest Clinic staff, concerning service acceptability, usability and sustainability. The percentage of missed observations for the telehealth service was 12.1 (n = 58), compared to 31.1 for the in-person service (n = 70). Most of the difference of 18.9% (95% CI: 12.2 – 25.4) was due to fewer pre-arranged absences. The economic analysis calculated the ICER to be AUD$1.32 (95% CI: $0.51 – $2.26) per extra day of successful observation. The video service used less staff time, and became dominant if implemented on a larger scale and/or with decreased technology costs. Qualitative analysis found enabling factors of flexible timing, high patient acceptance, staff efficiency, and Chest Clinic support. Substantial technical problems were manageable, and improved liaison between the nursing service and Chest Clinic was an unexpected side-benefit. Conclusions/Significance Home video observation is a patient-centered, resource efficient way of

  20. Observation of Anisotropy in Cosmic-Ray Arrival Directions with the IceCube Observatory

    NASA Astrophysics Data System (ADS)

    McNally, Frank

    We provide an update on the continued observation of anisotropy in the arrival direction distribution of cosmic rays in the southern hemisphere. With its in-ice and IceTop detector, the IceCube Observatory recorded more than 250 billion and 170 million events, respectively, between May 2009 and May 2014. In this large data set, we observe significant small-scale structure on angular scales down to 3°, the median angular resolution of the IceCube detector for cosmic rays. The expanded dataset also allows for a more detailed study of the anisotropy for various cosmic-ray median energies. The large-scale structure observed with the in-ice detector at median energies near 20 TeV changes at energies above 100 TeV, with the high-energy skymaps showing a strong deficit also present in the IceTop 2 PeV sample.

  1. Direct observation of Li diffusion in Li-doped ZnO nanowires

    NASA Astrophysics Data System (ADS)

    Li, Guohua; Yu, Lei; Hudak, Bethany M.; Chang, Yao-Jen; Baek, Hyeonjun; Sundararajan, Abhishek; Strachan, Douglas R.; Yi, Gyu-Chul; Guiton, Beth S.

    2016-05-01

    The direct observation of Li diffusion in Li-doped zinc oxide nanowires (NWs) was realized by using in situ heating in the scanning transmission electron microscope (STEM). A continuous increase of low atomic mass regions within a single NW was observed between 200 °C and 600 °C when heated in vacuum, which was explained by the conversion of interstitial to substitutional Li in the ZnO NW host lattice. A kick-out mechanism is introduced to explain the migration and conversion of the interstitial Li (Lii) to Zn-site substitutional Li (LiZn), and this mechanism is verified with low-temperature (11 K) photoluminescence measurements on as-grown and annealed Li-doped zinc oxide NWs, as well as the observation of an increase of NW surface roughing with applied bias.

  2. Phases and Interfaces from Real Space Atomically Resolved Data: Physics-Based Deep Data Image Analysis.

    PubMed

    Vasudevan, Rama K; Ziatdinov, Maxim; Jesse, Stephen; Kalinin, Sergei V

    2016-09-14

    Advances in electron and scanning probe microscopies have led to a wealth of atomically resolved structural and electronic data, often with ∼1-10 pm precision. However, knowledge generation from such data requires the development of a physics-based robust framework to link the observed structures to macroscopic chemical and physical descriptors, including single phase regions, order parameter fields, interfaces, and structural and topological defects. Here, we develop an approach based on a synergy of sliding window Fourier transform to capture the local analog of traditional structure factors combined with blind linear unmixing of the resultant 4D data set. This deep data analysis is ideally matched to the underlying physics of the problem and allows reconstruction of the a priori unknown structure factors of individual components and their spatial localization. We demonstrate the principles of this approach using a synthetic data set and further apply it for extracting chemical and physically relevant information from electron and scanning tunneling microscopy data. This method promises to dramatically speed up crystallographic analysis in atomically resolved data, paving the road toward automatic local structure-property determinations in crystalline and quasi-ordered systems, as well as systems with competing structural and electronic order parameters. PMID:27517608

  3. Real-space mapping of tailored sheet and edge plasmons in graphene nanoresonators

    NASA Astrophysics Data System (ADS)

    Nikitin, A. Y.; Alonso-González, P.; Vélez, S.; Mastel, S.; Centeno, A.; Pesquera, A.; Zurutuza, A.; Casanova, F.; Hueso, L. E.; Koppens, F. H. L.; Hillenbrand, R.

    2016-04-01

    Plasmons in graphene nanoresonators have many potential applications in photonics and optoelectronics, including room-temperature infrared and terahertz photodetectors, sensors, reflect arrays or modulators. The development of efficient devices will critically depend on precise knowledge and control of the plasmonic modes. Here, we use near-field microscopy between λ0 = 10–12 μm to excite and image plasmons in tailored disk and rectangular graphene nanoresonators, and observe a rich variety of coexisting Fabry–Perot modes. Disentangling them by a theoretical analysis allows the identification of sheet and edge plasmons, the latter exhibiting mode volumes as small as 10‑8λ03. By measuring the dispersion of the edge plasmons we corroborate their superior confinement compared with sheet plasmons, which among others could be applied for efficient 1D coupling of quantum emitters. Our understanding of graphene plasmon images is a key to unprecedented in-depth analysis and verification of plasmonic functionalities in future flatland technologies.

  4. CRITIC2: A program for real-space analysis of quantum chemical interactions in solids

    NASA Astrophysics Data System (ADS)

    Otero-de-la-Roza, A.; Johnson, Erin R.; Luaña, Víctor

    2014-03-01

    -chemical interactions in periodic solids by means of atoms-in-molecules and related formalisms. Solution method: Critical point search using Newton’s algorithm, atomic basin integration using bisection, qtree and grid-based algorithms, diverse graphical representations and computation of the non-covalent interactions index on a three-dimensional grid. Additional comments: !!!!! The distribution file for this program is over 330 Mbytes and therefore is not delivered directly when download or Email is requested. Instead a html file giving details of how the program can be obtained is sent. !!!!! Running time: Variable, depending on the crystal and the source of the underlying scalar field.

  5. Investigating common clinical presentations in first opinion small animal consultations using direct observation

    PubMed Central

    Robinson, N. J.; Dean, R. S.; Cobb, M.; Brennan, M. L.

    2015-01-01

    Understanding more about the clinical presentations encountered in veterinary practice is vital in directing research towards areas relevant to practitioners. The aim of this study was to describe all problems discussed during a convenience sample of consultations using a direct observation method. A data collection tool was used to gather data by direct observation during small animal consultations at eight sentinel practices. Data were recorded for all presenting and non-presenting specific health problems discussed. A total of 1901 patients were presented with 3206 specific health problems discussed. Clinical presentation varied widely between species and between presenting and non-presenting problems. Skin lump, vomiting and inappetence were the most common clinical signs reported by the owner while overweight/obese, dental tartar and skin lump were the most common clinical examination findings. Skin was the most frequently affected body system overall followed by non-specific problems then the gastrointestinal system. Consultations are complex, with a diverse range of different clinical presentations seen. Considering the presenting problem only may give an inaccurate view of the veterinary caseload, as some common problems are rarely the reason for presentation. Understanding the common diagnoses made is the next step and will help to further focus questions for future research. PMID:25564472

  6. Microwave observations of Saturn's rings: anisotropy in directly transmitted and scattered saturnian thermal emission

    NASA Astrophysics Data System (ADS)

    Dunn, David E.; Molnar, Lawrence A.; Niehof, Jon T.; de Pater, Imke; Lissauer, Jack J.

    2004-09-01

    We present a new Very Large Array (VLA) image of Saturn, made from data taken in October 1998 at a wavelength of λ3.6 cm. The moderate ring opening angle ( B≈15°) allows us to explore direct transmission of microwave photons through the A and C rings. We find a strong asymmetry of photons transmitted through the A ring, but not in the C ring, a new diagnostic of wake structure in the ring particles. We also find a weak asymmetry between east and west for the far side of the ansae. To facilitate quantitative comparison between dynamic models of the A ring and radio observations, we extend our Monte Carlo radiative transfer code (described in Dunn et al., 2002, Icarus 160, 132-160) to include idealized wakes. We show the idealized model can reproduce the properties of dynamic simulations in directly transmitted light. We examine the model behavior in directly transmitted and scattered light over a range of physical and geometric wake parameters. Finally, we present a wake model with a plausible set of physical parameters that quantitatively reproduces the observed intensity and asymmetry of the A ring both across the planet and in the ansae.

  7. Direct observation and quantification of extracellular long-range electron flow in anaerobic bacteria

    NASA Astrophysics Data System (ADS)

    Malvankar, Nikhil; Yalcin, Sibel; Vargas, Madeline; Tuominen, Mark; Lovley, Derek

    2013-03-01

    Some anaerobic microorganisms are capable of transporting electrons outside their cell to distant electron acceptors such as metals, minerals or partner species. Previous studies have focused primarily on transport over short distances (< 1 μm) via diffusion of molecular intermediates, or alternatively via tunneling or thermally-activated hopping across biomolecules. However, we have found that Geobacter sulfurreducens can transport electrons over long distances (> 10 μm) using pili filaments that show organic metal-like conductivity. Pili also enable direct exchange of electrons among syntrophic Geobacter co-cultures. In order to establish the physical principles underlying this remarkable electron transport, we have employed a novel scanning probe microscopy-based method to perform quantitative measurements of electron flow at a single cell level under physiological conditions. Using this nanoscopic approach, we have directly observed the propagation and distribution of injected electrons in individual native bacterial extracellular proteins. Our direct measurements demonstrate unambiguously for the first time that the pili of G. sulfurreducens are a novel class of electronically functional proteins that can sustain electron flow in a surprising manner that has not been observed previously in any other natural protein. Funded by Office of Naval Research, DOE Genomic Sciences and NSF-NSEC Center for Hierarchical Manufacturing grant no. CMMI-1025020.

  8. An accuracy measurement method for star trackers based on direct astronomic observation

    PubMed Central

    Sun, Ting; Xing, Fei; Wang, Xiaochu; You, Zheng; Chu, Daping

    2016-01-01

    Star tracker is one of the most promising optical attitude measurement devices and it is widely used in spacecraft for its high accuracy. However, how to realize and verify such an accuracy remains a crucial but unsolved issue until now. The authenticity of the accuracy measurement method of a star tracker will eventually determine the satellite performance. A new and robust accuracy measurement method for a star tracker based on the direct astronomical observation is proposed here. In comparison with the conventional method with simulated stars, this method utilizes real navigation stars as observation targets which makes the measurement results more authoritative and authentic. Transformations between different coordinate systems are conducted on the account of the precision movements of the Earth, and the error curves of directional vectors are obtained along the three axes. Based on error analysis and accuracy definitions, a three-axis accuracy evaluation criterion has been proposed in this paper, which could determine pointing and rolling accuracy of a star tracker directly. Experimental measurements confirm that this method is effective and convenient to implement. Such a measurement environment is close to the in-orbit conditions and it can satisfy the stringent requirement for high-accuracy star trackers. PMID:26948412

  9. An accuracy measurement method for star trackers based on direct astronomic observation

    NASA Astrophysics Data System (ADS)

    Sun, Ting; Xing, Fei; Wang, Xiaochu; You, Zheng; Chu, Daping

    2016-03-01

    Star tracker is one of the most promising optical attitude measurement devices and it is widely used in spacecraft for its high accuracy. However, how to realize and verify such an accuracy remains a crucial but unsolved issue until now. The authenticity of the accuracy measurement method of a star tracker will eventually determine the satellite performance. A new and robust accuracy measurement method for a star tracker based on the direct astronomical observation is proposed here. In comparison with the conventional method with simulated stars, this method utilizes real navigation stars as observation targets which makes the measurement results more authoritative and authentic. Transformations between different coordinate systems are conducted on the account of the precision movements of the Earth, and the error curves of directional vectors are obtained along the three axes. Based on error analysis and accuracy definitions, a three-axis accuracy evaluation criterion has been proposed in this paper, which could determine pointing and rolling accuracy of a star tracker directly. Experimental measurements confirm that this method is effective and convenient to implement. Such a measurement environment is close to the in-orbit conditions and it can satisfy the stringent requirement for high-accuracy star trackers.

  10. An accuracy measurement method for star trackers based on direct astronomic observation.

    PubMed

    Sun, Ting; Xing, Fei; Wang, Xiaochu; You, Zheng; Chu, Daping

    2016-01-01

    Star tracker is one of the most promising optical attitude measurement devices and it is widely used in spacecraft for its high accuracy. However, how to realize and verify such an accuracy remains a crucial but unsolved issue until now. The authenticity of the accuracy measurement method of a star tracker will eventually determine the satellite performance. A new and robust accuracy measurement method for a star tracker based on the direct astronomical observation is proposed here. In comparison with the conventional method with simulated stars, this method utilizes real navigation stars as observation targets which makes the measurement results more authoritative and authentic. Transformations between different coordinate systems are conducted on the account of the precision movements of the Earth, and the error curves of directional vectors are obtained along the three axes. Based on error analysis and accuracy definitions, a three-axis accuracy evaluation criterion has been proposed in this paper, which could determine pointing and rolling accuracy of a star tracker directly. Experimental measurements confirm that this method is effective and convenient to implement. Such a measurement environment is close to the in-orbit conditions and it can satisfy the stringent requirement for high-accuracy star trackers. PMID:26948412

  11. Understanding conductivity in molecular switches: a real space approach in octaphyrins.

    PubMed

    Woller, T; Ramos-Berdullas, N; Mandado, M; Alonso, M; de Proft, F; Contreras-García, J

    2016-04-28

    In recent years, expanded porphyrins have emerged as a promising class of π-conjugated molecules that display unique electronic, optical and conformational properties. Several expanded porphyrins can switch between planar and twisted conformations, which have different photophysical properties. Such a change of topology involves a Hückel-Möbius aromaticity switch in a single molecule and it can be induced by solvent, pH and metallation. These features make expanded porphyrins suitable for the development of a novel type of molecular switches for molecular electronic devices. Octaphyrins consisting of eight pyrrole rings, exhibit twisted-Hückel, Möbius and Hückel π-conjugation topologies depending on the oxidation and protonation state, with distinct electronic structures and aromaticity. Our working hypothesis is that a significant change in the conductance of expanded porphyrins will be observed after the topology switching. Despite the potential of Hückel-Möbius systems as conductance switches, the relationship between the conductance and the molecular topology is not yet understood. We have explored the performance of local descriptors of conductivity in simple molecules, as well as the relationship with conductance. Since these indexes provide a qualitative measure of delocalization and conductance in the probe molecules, we have carried out a local analysis of electrical conductance changes as a function of the π-conjugation in two examples. In one of them, the locality of the electronic changes ensures the ability of these indexes to describe the conductance as local. Moreover, it enables to identify which conformational switch would be more efficient from an electronic device perspective. However, we also show that it is not always possible to reduce conductance changes to one bond, and in those molecules where a deep rearrangement occurs far from the structural perturbation, local measures show a limited efficiency. This is a first step for the

  12. Apparatus for Direct Optical Fiber Through-Lens Illumination of Microscopy or Observational Objects

    NASA Technical Reports Server (NTRS)

    Kadogawa, Hiroshi (Inventor)

    2001-01-01

    In one embodiment of the invention, a microscope or other observational apparatus, comprises a hollow tube, a lens mounted to the tube, a light source and at least one flexible optical fiber having an input end and an output end. The input end is positioned to receive light from the light source, and the output end is positioned within the tube so as to directly project light along a straight path to the lens to illuminate an object to be viewed. The path of projected light is uninterrupted and free of light deflecting elements. By passing the light through the lens, the light can be diffused or otherwise defocused to provide more uniform illumination across the surface of the object, increasing the quality of the image of the object seen by the viewer. The direct undeflected and uninterrupted projection of light, without change of direction, eliminates the need for light-deflecting elements, such as beam-splitters, mirrors, prisms, or the like, to direct the projected light towards the object.

  13. Increasing Reliability of Direct Observation Measurement Approaches in Emotional and/or Behavioral Disorders Research Using Generalizability Theory

    ERIC Educational Resources Information Center

    Gage, Nicholas A.; Prykanowski, Debra; Hirn, Regina

    2014-01-01

    Reliability of direct observation outcomes ensures the results are consistent, dependable, and trustworthy. Typically, reliability of direct observation measurement approaches is assessed using interobserver agreement (IOA) and the calculation of observer agreement (e.g., percentage of agreement). However, IOA does not address intraobserver…

  14. A Multimethod Study of Problem Behavior among Thai and American Children in School: Teacher Reports versus Direct Observations.

    ERIC Educational Resources Information Center

    Weisz, John R.; And Others

    1995-01-01

    Trained observers conducted direct observations of Thai and American children's school behavior and obtained teacher reports on the same children. Observers reported twice as much problem behavior and off-task behavior in American children as in their Thai age-mates, contradicting some earlier studies. Findings support the value of direct behavior…

  15. Direct Observation of Aggregative Nanoparticle Growth: Kinetic Modeling of the Size Distribution and Growth Rate

    SciTech Connect

    Woehl, Taylor J.; Park, Chiwoo; Evans, James E.; Arslan, Ilke; Ristenpart, William D.; Browning, Nigel D.

    2014-01-08

    Direct observations of solution-phase nanoparticle growth using in situ liquid transmission electron microscopy (TEM) have demonstrated the importance of “non-classical” growth mechanisms, such as aggregation and coalescence, on the growth and final morphology of nanocrystals at the atomic and single nanoparticle scales. To date, groups have quantitatively interpreted the mean growth rate of nanoparticles in terms of the Lifshitz-Slyozov-Wagner (LSW) model for Ostwald ripening, but less attention has been paid to modeling the corresponding particle size distribution. Here we use in situ fluid stage scanning TEM to demonstrate that silver nanoparticles grow by a length-scale dependent mechanism, where individual nanoparticles grow by monomer attachment but ensemble-scale growth is dominated by aggregation. Although our observed mean nanoparticle growth rate is consistent with the LSW model, we show that the corresponding particle size distribution is broader and more symmetric than predicted by LSW. Following direct observations of aggregation, we interpret the ensemble-scale growth using Smoluchowski kinetics and demonstrate that the Smoluchowski model quantitatively captures the mean growth rate and particle size distribution.

  16. An Unroofing Method to Observe the Cytoskeleton Directly at Molecular Resolution Using Atomic Force Microscopy

    PubMed Central

    Usukura, Eiji; Narita, Akihiro; Yagi, Akira; Ito, Shuichi; Usukura, Jiro

    2016-01-01

    An improved unroofing method enabled the cantilever of an atomic force microscope (AFM) to reach directly into a cell to visualize the intracellular cytoskeletal actin filaments, microtubules, clathrin coats, and caveolae in phosphate-buffered saline (PBS) at a higher resolution than conventional electron microscopy. All of the actin filaments clearly exhibited a short periodicity of approximately 5–6 nm, which was derived from globular actins linked to each other to form filaments, as well as a long helical periodicity. The polarity of the actin filaments appeared to be determined by the shape of the periodic striations. Microtubules were identified based on their thickness. Clathrin coats and caveolae were observed on the cytoplasmic surface of cell membranes. The area containing clathrin molecules and their terminal domains was directly visualized. Characteristic ridge structures located at the surface of the caveolae were observed at high resolution, similar to those observed with electron microscopy (EM). Overall, unroofing allowed intracellular AFM imaging in a liquid environment with a level of quality equivalent or superior to that of EM. Thus, AFMs are anticipated to provide cutting-edge findings in cell biology and histology. PMID:27273367

  17. An Unroofing Method to Observe the Cytoskeleton Directly at Molecular Resolution Using Atomic Force Microscopy.

    PubMed

    Usukura, Eiji; Narita, Akihiro; Yagi, Akira; Ito, Shuichi; Usukura, Jiro

    2016-01-01

    An improved unroofing method enabled the cantilever of an atomic force microscope (AFM) to reach directly into a cell to visualize the intracellular cytoskeletal actin filaments, microtubules, clathrin coats, and caveolae in phosphate-buffered saline (PBS) at a higher resolution than conventional electron microscopy. All of the actin filaments clearly exhibited a short periodicity of approximately 5-6 nm, which was derived from globular actins linked to each other to form filaments, as well as a long helical periodicity. The polarity of the actin filaments appeared to be determined by the shape of the periodic striations. Microtubules were identified based on their thickness. Clathrin coats and caveolae were observed on the cytoplasmic surface of cell membranes. The area containing clathrin molecules and their terminal domains was directly visualized. Characteristic ridge structures located at the surface of the caveolae were observed at high resolution, similar to those observed with electron microscopy (EM). Overall, unroofing allowed intracellular AFM imaging in a liquid environment with a level of quality equivalent or superior to that of EM. Thus, AFMs are anticipated to provide cutting-edge findings in cell biology and histology. PMID:27273367

  18. Direct Observation of Chiral Topological Solitons in 1D Charge-Density Waves

    NASA Astrophysics Data System (ADS)

    Kim, Tae-Hwan; Cheon, Sangmo; Lee, Sung-Hoon; Yeom, Han Woong

    2015-03-01

    Macroscopic and classical solitons are easily and ubiquitously found, from tsunami to blood pressure pulses, but those in microscopic scale are hard to observe. While the existence of such topological solitons were predicted theoretically and evidenced indirectly by the transport and infrared spectroscopy measurements, the direct observation has been hampered by their high mobility and small dimension. In this talk, we show direct observation of topological solitons in the quasi-1D charge-density wave (CDW) ground state of indium atomic wires, which are consisting of interacting double Peierls chains. Such solitons exhibit a characteristic spatial variation of the CDW amplitudes as expected from the electronic structure. Furthermore, these solitons have an exotic hidden topology originated by topologically different 4-fold degenerate CDW ground states. Their exotic topology leads to the chirality of 1D topological solitons through interaction between two solitons in the double Peierls chains. Detailed scanning tunneling microscopy and spectroscopy reveal their chiral nature at the atomic scale. This work paves the avenue toward the microscopic exploitation of the peculiar properties of nanoscale chiral solitons.

  19. Direct Observation of Wet Biological Samples by Graphene Liquid Cell Transmission Electron Microscopy.

    PubMed

    Park, Jungwon; Park, Hyesung; Ercius, Peter; Pegoraro, Adrian F; Xu, Chen; Kim, Jin Woong; Han, Sang Hoon; Weitz, David A

    2015-07-01

    Recent development of liquid phase transmission electron microscopy (TEM) enables the study of specimens in wet ambient conditions within a liquid cell; however, direct structural observation of biological samples in their native solution using TEM is challenging since low-mass biomaterials embedded in a thick liquid layer of the host cell demonstrate low contrast. Furthermore, the integrity of delicate wet samples is easily compromised during typical sample preparation and TEM imaging. To overcome these limitations, we introduce a graphene liquid cell (GLC) using multilayer graphene sheets to reliably encapsulate and preserve biological samples in a liquid for TEM observation. We achieve nanometer scale spatial resolution with high contrast using low-dose TEM at room temperature, and we use the GLC to directly observe the structure of influenza viruses in their native buffer solution at room temperature. The GLC is further extended to investigate whole cells in wet conditions using TEM. We also demonstrate the potential of the GLC for correlative studies by TEM and fluorescence light microscopy imaging. PMID:26065925

  20. Direct observations of microscale turbulence and thermohaline structure in the Kuroshio Front

    NASA Astrophysics Data System (ADS)

    Nagai, Takeyoshi; Tandon, Amit; Yamazaki, Hidekatsu; Doubell, Mark J.; Gallager, Scott

    Direct observations of microstructure near the Kuroshio Front were conducted in August 2008 and October 2009. These show negative potential vorticity (PV) in the mixed layer south of the front, where directly measured turbulent kinetic energy dissipation rates are an order magnitude larger than predicted by wind-scaling. These elevated dissipation rates scale better with an empirical scaling, which considers local wind and Ekman buoyancy flux driven by downfront wind. Near-zero PV in the thermocline under the Kuroshio mainstream is observed at 200-300 m depth, with dissipation exceeding open ocean thermocline values by factors of 10-100. Overall, the large turbulent dissipation rates measured in the Kuroshio can be categorized into two groups, one characterized by low Richardson number along the Kuroshio Front thermocline, and the other characterized by high stratification away from the Kuroshio mainstream. The former is attributed to mixing by unbalanced frontal ageostrophic flows, and the latter is attributed to internal wave breaking. On average, both groups appear in regions of large horizontal density gradients. Observed thermohaline structure shows low salinity tongues from the surface to over 300 m depth and deep cold tongues, extending upward from 500 to 100 m depth in a narrow (20 km) zone, suggesting down and upwelling driven by geostrophic straining, which is confirmed by Quasigeostrophic-Omega equation solutions. This implies that adiabatic along isopycnal subduction and diabatic diapycnal turbulent mixing acting in tandem at the Kuroshio Front likely contribute to NPIW formation.

  1. Direct observation of the nucleation in colloidal solid-solid transitions

    NASA Astrophysics Data System (ADS)

    Peng, Yi; Wang, Feng; Wang, Ziren; Han, Yilong

    2013-03-01

    Solid-solid phase transitions are ubiquitous in nature, but their microscopic mechanisms remain poorly understood. We employed thermally sensitive microgels to study the solid-solid transitions between square and triangular lattices in colloidal thin films. Two types of nucleation processes were directly observed by video microscopy and studied at the single-particle level. Under low flow rates, the nucleation is a two-step process: square lattice --> liquid nucleus --> triangle nucleus and its precursor is a local particle-exchange loop, whereas under high flow rates the nucleus of the triangle lattice forms directly from a dislocation pair by a martensitic mechanism. We measured the critical nucleus size, the energy barrier height and the hysteresis loop of the solid-solid transitions. Our results cast new light to solid-solid transitions in carbon systems, nano-crystals and geophysics. Hong Kong GRC grants 601208 and 601911

  2. Direct observation of defect structure in protein crystals by atomic force and transmission electron microscopy.

    PubMed Central

    Devaud, G; Furcinitti, P S; Fleming, J C; Lyon, M K; Douglas, K

    1992-01-01

    We have examined the structure of S-layers isolated from Sulfolobus acidocaldarius using atomic force microscopy (AFM) and transmission electron microscopy (TEM). From the AFM images, we were able to directly observe individual dimers of the crystal, defects in the crystal structure, and twin boundaries. We have identified two types of boundaries, one defined by a mirror plane and the other by a glide plane. This work shows that twin boundaries are highly structured regions that are directly related to the organization of units within each crystal domain. Projection maps from TEM images have shown that there are significant differences in the final average maps has allowed us to relate high magnification views obtained by AFM to the relatively high resolution information obtained by electron microscopy and image processing. Images FIGURE 1 FIGURE 2 FIGURE 3 FIGURE 4 FIGURE 5 FIGURE 6 PMID:1420904

  3. Direct observation of a highly spin-polarized organic spinterface at room temperature

    PubMed Central

    Djeghloul, F.; Ibrahim, F.; Cantoni, M.; Bowen, M.; Joly, L.; Boukari, S.; Ohresser, P.; Bertran, F.; Le Fèvre, P.; Thakur, P.; Scheurer, F.; Miyamachi, T.; Mattana, R.; Seneor, P.; Jaafar, A.; Rinaldi, C.; Javaid, S.; Arabski, J.; Kappler, J. -P; Wulfhekel, W.; Brookes, N. B.; Bertacco, R.; Taleb-Ibrahimi, A.; Alouani, M.; Beaurepaire, E.; Weber, W.

    2013-01-01

    Organic semiconductors constitute promising candidates toward large-scale electronic circuits that are entirely spintronics-driven. Toward this goal, tunneling magnetoresistance values above 300% at low temperature suggested the presence of highly spin-polarized device interfaces. However, such spinterfaces have not been observed directly, let alone at room temperature. Thanks to experiments and theory on the model spinterface between phthalocyanine molecules and a Co single crystal surface, we clearly evidence a highly efficient spinterface. Spin-polarised direct and inverse photoemission experiments reveal a high degree of spin polarisation at room temperature at this interface. We measured a magnetic moment on the molecule's nitrogen π orbitals, which substantiates an ab-initio theoretical description of highly spin-polarised charge conduction across the interface due to differing spinterface formation mechanisms in each spin channel. We propose, through this example, a recipe to engineer simple organic-inorganic interfaces with remarkable spintronic properties that can endure well above room temperature. PMID:23412079

  4. Direct observation shows superposition and large scale flexibility within cytoplasmic dynein motors moving along microtubules

    PubMed Central

    Imai, Hiroshi; Shima, Tomohiro; Sutoh, Kazuo; Walker, Matthew L.; Knight, Peter J.; Kon, Takahide; Burgess, Stan A.

    2015-01-01

    Cytoplasmic dynein is a dimeric AAA+ motor protein that performs critical roles in eukaryotic cells by moving along microtubules using ATP. Here using cryo-electron microscopy we directly observe the structure of Dictyostelium discoideum dynein dimers on microtubules at near-physiological ATP concentrations. They display remarkable flexibility at a hinge close to the microtubule binding domain (the stalkhead) producing a wide range of head positions. About half the molecules have the two heads separated from one another, with both leading and trailing motors attached to the microtubule. The other half have the two heads and stalks closely superposed in a front-to-back arrangement of the AAA+ rings, suggesting specific contact between the heads. All stalks point towards the microtubule minus end. Mean stalk angles depend on the separation between their stalkheads, which allows estimation of inter-head tension. These findings provide a structural framework for understanding dynein's directionality and unusual stepping behaviour. PMID:26365535

  5. Direct observation shows superposition and large scale flexibility within cytoplasmic dynein motors moving along microtubules.

    PubMed

    Imai, Hiroshi; Shima, Tomohiro; Sutoh, Kazuo; Walker, Matthew L; Knight, Peter J; Kon, Takahide; Burgess, Stan A

    2015-01-01

    Cytoplasmic dynein is a dimeric AAA(+) motor protein that performs critical roles in eukaryotic cells by moving along microtubules using ATP. Here using cryo-electron microscopy we directly observe the structure of Dictyostelium discoideum dynein dimers on microtubules at near-physiological ATP concentrations. They display remarkable flexibility at a hinge close to the microtubule binding domain (the stalkhead) producing a wide range of head positions. About half the molecules have the two heads separated from one another, with both leading and trailing motors attached to the microtubule. The other half have the two heads and stalks closely superposed in a front-to-back arrangement of the AAA(+) rings, suggesting specific contact between the heads. All stalks point towards the microtubule minus end. Mean stalk angles depend on the separation between their stalkheads, which allows estimation of inter-head tension. These findings provide a structural framework for understanding dynein's directionality and unusual stepping behaviour. PMID:26365535

  6. Direct assessment of groundwater vulnerability from single observations of multiple contaminants

    USGS Publications Warehouse

    Worrall, F.; Kolpin, D.W.

    2003-01-01

    Groundwater vulnerability is a central concept in pollution risk assessment, yet its estimation has been largely a matter of expert judgment. This work applies a method for the direct calculation of vulnerability from monitoring well observations of pesticide concentrations. The method has two major advantages: it is independent of the compounds being examined, and it has a direct probabilistic interpretation making it ideal for risk assessment. The methodology was applied to data from a groundwater monitoring program in the midwestern United States. The distribution of the vulnerabilities was skewed toward zero. Spatial distribution of the vulnerabilities shows them to be controlled by both regional and local factors. Methods are presented for estimating the necessary sample sizes for vulnerability studies. The further application of the approach developed in this study to understanding groundwater pollution is discussed.

  7. Photoacoustics of single laser-trapped nanodroplets for the direct observation of nanofocusing in aerosol photokinetics

    NASA Astrophysics Data System (ADS)

    Cremer, Johannes W.; Thaler, Klemens M.; Haisch, Christoph; Signorell, Ruth

    2016-03-01

    Photochemistry taking place in atmospheric aerosol droplets has a significant impact on the Earth's climate. Nanofocusing of electromagnetic radiation inside aerosols plays a crucial role in their absorption behaviour, since the radiation flux inside the droplet strongly affects the activation rate of photochemically active species. However, size-dependent nanofocusing effects in the photokinetics of small aerosols have escaped direct observation due to the inability to measure absorption signatures from single droplets. Here we show that photoacoustic measurements on optically trapped single nanodroplets provide a direct, broadly applicable method to measure absorption with attolitre sensitivity. We demonstrate for a model aerosol that the photolysis is accelerated by an order of magnitude in the sub-micron to micron size range, compared with larger droplets. The versatility of our technique promises broad applicability to absorption studies of aerosol particles, such as atmospheric aerosols where quantitative photokinetic data are critical for climate predictions.

  8. Photoacoustics of single laser-trapped nanodroplets for the direct observation of nanofocusing in aerosol photokinetics.

    PubMed

    Cremer, Johannes W; Thaler, Klemens M; Haisch, Christoph; Signorell, Ruth

    2016-01-01

    Photochemistry taking place in atmospheric aerosol droplets has a significant impact on the Earth's climate. Nanofocusing of electromagnetic radiation inside aerosols plays a crucial role in their absorption behaviour, since the radiation flux inside the droplet strongly affects the activation rate of photochemically active species. However, size-dependent nanofocusing effects in the photokinetics of small aerosols have escaped direct observation due to the inability to measure absorption signatures from single droplets. Here we show that photoacoustic measurements on optically trapped single nanodroplets provide a direct, broadly applicable method to measure absorption with attolitre sensitivity. We demonstrate for a model aerosol that the photolysis is accelerated by an order of magnitude in the sub-micron to micron size range, compared with larger droplets. The versatility of our technique promises broad applicability to absorption studies of aerosol particles, such as atmospheric aerosols where quantitative photokinetic data are critical for climate predictions. PMID:26979973

  9. Direct observation of spin-orbit coupling in iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Borisenko, S. V.; Evtushinsky, D. V.; Liu, Z.-H.; Morozov, I.; Kappenberger, R.; Wurmehl, S.; Büchner, B.; Yaresko, A. N.; Kim, T. K.; Hoesch, M.; Wolf, T.; Zhigadlo, N. D.

    2016-04-01

    Spin-orbit coupling is a fundamental interaction in solids that can induce a broad range of unusual physical properties, from topologically non-trivial insulating states to unconventional pairing in superconductors. In iron-based superconductors its role has, so far, not been considered of primary importance, with models based on spin- or orbital fluctuations pairing being used most widely. Using angle-resolved photoemission spectroscopy, we directly observe a sizeable spin-orbit splitting in all the main members of the iron-based superconductors. We demonstrate that its impact on the low-energy electronic structure and details of the Fermi surface topology is stronger than that of possible nematic ordering. The largest pairing gap is supported exactly by spin-orbit-coupling-induced Fermi surfaces, implying a direct relation between this interaction and the mechanism of high-temperature superconductivity.

  10. Technique to observe direct CP violation in D mesons using Bose symmetry and the Dalitz plot

    NASA Astrophysics Data System (ADS)

    Sahoo, Dibyakrupa; Sinha, Rahul; Deshpande, N. G.; Pakvasa, Sandip

    2014-04-01

    We present a new method to observe direct CP violation in D mesons using Bose symmetry and the Dalitz plot. We apply the method to processes such as B→D0D¯0P, where P is either a K or a π. By choosing to reconstruct D mesons only through their decays into CP eigenstates, we show that any asymmetry in the Dalitz plot can arise only through direct CP violation. We further show how CP violation parameters can be determined. Since the approach involves only Bose symmetry, the method is applicable to any multibody process that involves D0D¯0 in the final state. We briefly discuss how B→D*D¯*P can also be used in a similar way. This method can also be applied to D0D¯0 in the final state from continuum cc¯ production.

  11. Direct observation of a propagating spin wave induced by spin-transfer torque.

    PubMed

    Madami, M; Bonetti, S; Consolo, G; Tacchi, S; Carlotti, G; Gubbiotti, G; Mancoff, F B; Yar, M A; Akerman, J

    2011-10-01

    Spin torque oscillators with nanoscale electrical contacts are able to produce coherent spin waves in extended magnetic films, and offer an attractive combination of electrical and magnetic field control, broadband operation, fast spin-wave frequency modulation, and the possibility of synchronizing multiple spin-wave injection sites. However, many potential applications rely on propagating (as opposed to localized) spin waves, and direct evidence for propagation has been lacking. Here, we directly observe a propagating spin wave launched from a spin torque oscillator with a nanoscale electrical contact into an extended Permalloy (nickel iron) film through the spin transfer torque effect. The data, obtained by wave-vector-resolved micro-focused Brillouin light scattering, show that spin waves with tunable frequencies can propagate for several micrometres. Micromagnetic simulations provide the theoretical support to quantitatively reproduce the results. PMID:21873993

  12. Photoacoustics of single laser-trapped nanodroplets for the direct observation of nanofocusing in aerosol photokinetics

    PubMed Central

    Cremer, Johannes W.; Thaler, Klemens M.; Haisch, Christoph; Signorell, Ruth

    2016-01-01

    Photochemistry taking place in atmospheric aerosol droplets has a significant impact on the Earth's climate. Nanofocusing of electromagnetic radiation inside aerosols plays a crucial role in their absorption behaviour, since the radiation flux inside the droplet strongly affects the activation rate of photochemically active species. However, size-dependent nanofocusing effects in the photokinetics of small aerosols have escaped direct observation due to the inability to measure absorption signatures from single droplets. Here we show that photoacoustic measurements on optically trapped single nanodroplets provide a direct, broadly applicable method to measure absorption with attolitre sensitivity. We demonstrate for a model aerosol that the photolysis is accelerated by an order of magnitude in the sub-micron to micron size range, compared with larger droplets. The versatility of our technique promises broad applicability to absorption studies of aerosol particles, such as atmospheric aerosols where quantitative photokinetic data are critical for climate predictions. PMID:26979973

  13. The effect of stopping before turning on the direct observational measure of whole body turning bias.

    PubMed

    Taylor, M J D; Strike, S C

    2016-06-01

    Turning bias, the preferential tendency to turn toward a given direction has been reported in both rodents and human participants. The observational gait method of determining turning bias in humans requires a stop prior to turning. This study removed the stop and hypothesised that turning bias would remain the same between stop and non-stop conditions if bias was solely under the control of neurochemical asymmetries. The results showed that statistically turning bias remained the same (to the left) regardless of method used but there was no agreement between the methods thus rejecting the hypothesis. It is likely that when not stopping biomechanical factors related to gait when turning influence the direction of turn rather than solely neurochemical asymmetries. PMID:26974038

  14. Statistical study of muons counts rates in differents directions, observed at the Brazilian Southern Space Observatory

    NASA Astrophysics Data System (ADS)

    Grams, Guilherme; Schuch, Nelson Jorge; Braga, Carlos Roberto; Purushottam Kane, Rajaram; Echer, Ezequiel; Ronan Coelho Stekel, Tardelli

    Cosmic ray are charged particles, at the most time protons, that reach the earth's magne-tosphere from interplanetary space with velocities greater than the solar wind. When these impinge the atmosphere, they interact with atmosphere constituents and decay into sub-particles forming an atmospheric shower. The muons are the sub-particles which normally maintain the originated direction of the primary cosmic ray. A multi-directional muon detec-tor (MMD) was installed in 2001 and upgraded in 2005, through an international cooperation between Brazil, Japan and USA, and operated since then at the Southern Space Observatory -SSO/CRS/CCR/INPE -MCT, (29,4° S, 53,8° W, 480m a.s.l.), São Martinho da Serra, RS, a Brazil. The main objetive of this work is to present a statistical analysis of the intensity of muons, with energy between 50 and 170 GeV, in differents directions, measured by the SSO's multi-directional muon detector. The analysis was performed with data from 2006 and 2007 collected by the SSO's MMD. The MMD consists of two layers of 4x7 detectors with a total observation area of 28 m2 . The counting of muons in each directional channel is made by a coincidence of pulses pair, one from a detector in the upper layer and the other from a detector in the lower layer. The SSO's MMD is equipped with 119 directional channels for muon count rate measurement and is capable of detecting muons incident with zenithal angle between 0° and 75,53° . A statistical analysis was made with the MMD muon count rate for all the di-rectional channels. The average and the standard deviation of the muon count rate in each directional component were calculated. The results show lower cont rate for the channels with larger zenith, and higher cont rate with smaller zenith, as expected from the production and propagation of muons in the atmosphere. It is also possible to identify the Stormer cone. The SSO's MMD is also a detector component of the Global Muon Detector Network (GMDN

  15. Direct Observation of the Injection Dynamics of a Laser Wakefield Accelerator Using Few-Femtosecond Shadowgraphy.

    PubMed

    Sävert, A; Mangles, S P D; Schnell, M; Siminos, E; Cole, J M; Leier, M; Reuter, M; Schwab, M B; Möller, M; Poder, K; Jäckel, O; Paulus, G G; Spielmann, C; Skupin, S; Najmudin, Z; Kaluza, M C

    2015-07-31

    We present few-femtosecond shadowgraphic snapshots taken during the nonlinear evolution of the plasma wave in a laser wakefield accelerator with transverse synchronized few-cycle probe pulses. These snapshots can be directly associated with the electron density distribution within the plasma wave and give quantitative information about its size and shape. Our results show that self-injection of electrons into the first plasma-wave period is induced by a lengthening of the first plasma period. Three-dimensional particle-in-cell simulations support our observations. PMID:26274425

  16. Diversity of sub-bandgap states in lead-sulfide nanocrystals: real-space spectroscopy and mapping at the atomic-scale

    NASA Astrophysics Data System (ADS)

    Gervasi, Christian F.; Kislitsyn, Dmitry A.; Allen, Thomas L.; Hackley, Jason D.; Maruyama, Ryuichiro; Nazin, George V.

    2015-11-01

    Colloidal semiconductor nanocrystals have emerged as a promising class of technological materials with optoelectronic properties controllable through quantum-confinement effects. Despite recent successes in this field, an important factor that remains difficult to control is the impact of the nanocrystal surface structure on the photophysics and electron transport in nanocrystal-based materials. In particular, the presence of surface defects and irregularities can result in the formation of localized sub-bandgap states that can dramatically affect the dynamics of charge carriers and electronic excitations. Here we use Scanning Tunneling Spectroscopy (STS) to investigate, in real space, sub-bandgap states in individual ligand-free PbS nanocrystals. In the majority of studied PbS nanocrystals, spatial mapping of electronic density of states with STS shows atomic-scale variations attributable to the presence of surface reconstructions. STS spectra show that the presence of surface reconstructions results in formation of surface-bound sub-bandgap electronic states. The nature of the surface reconstruction varies depending on the surface stoichiometry, with lead-rich surfaces producing unoccupied sub-bandgap states, and sulfur-rich areas producing occupied sub-bandgap states. Highly off-stoichiometric areas produce both occupied and unoccupied states showing dramatically reduced bandgaps. Different reconstruction patterns associated with specific crystallographic directions are also found for different nanocrystals. This study provides insight into the mechanisms of sub-bandgap state formation that, in a modified form, are likely to be applicable to ligand-passivated nanocrystal surfaces, where steric hindrance between ligands can result in under-coordination of surface atoms.Colloidal semiconductor nanocrystals have emerged as a promising class of technological materials with optoelectronic properties controllable through quantum-confinement effects. Despite recent

  17. Direct observation of stochastic domain-wall depinning in magnetic nanowires

    SciTech Connect

    Im, Mi-Young; Bocklage, Lars; Fischer, Peter; Meier, Guido

    2008-11-01

    The stochastic field-driven depinning of a domain wall pinned at a notch in a magnetic nanowire is directly observed using magnetic X-ray microscopy with high lateral resolution down to 15 nm. The depinning-field distribution in Ni{sub 80}Fe{sub 20} nanowires considerably depends on the wire width and the notch depth. The difference in the multiplicity of domain-wall types generated in the vicinity of a notch is responsible for the observed dependence of the stochastic nature of the domain wall depinning field on the wire width and the notch depth. Thus the random nature of the domain wall depinning process is controllable by an appropriate design of the nanowire.

  18. Direct observation of TALE protein dynamics reveals a two-state search mechanism

    PubMed Central

    Cuculis, Luke; Abil, Zhanar; Zhao, Huimin; Schroeder, Charles M.

    2015-01-01

    Transcription activator-like effector (TALE) proteins are a class of programmable DNA-binding proteins for which the fundamental mechanisms governing the search process are not fully understood. Here we use single-molecule techniques to directly observe TALE search dynamics along DNA templates. We find that TALE proteins are capable of rapid diffusion along DNA using a combination of sliding and hopping behaviour, which suggests that the TALE search process is governed in part by facilitated diffusion. We also observe that TALE proteins exhibit two distinct modes of action during the search process—a search state and a recognition state—facilitated by different subdomains in monomeric TALE proteins. Using TALE truncation mutants, we further demonstrate that the N-terminal region of TALEs is required for the initial non-specific binding and subsequent rapid search along DNA, whereas the central repeat domain is required for transitioning into the site-specific recognition state. PMID:26027871

  19. Interactions between C and Cu atoms in single-layer graphene: direct observation and modelling.

    PubMed

    Kano, Emi; Hashimoto, Ayako; Kaneko, Tomoaki; Tajima, Nobuo; Ohno, Takahisa; Takeguchi, Masaki

    2016-01-01

    Metal doping into the graphene lattice has been studied recently to develop novel nanoelectronic devices and to gain an understanding of the catalytic activities of metals in nanocarbon structures. Here we report the direct observation of interactions between Cu atoms and single-layer graphene by transmission electron microscopy. We document stable configurations of Cu atoms in the graphene sheet and unique transformations of graphene promoted by Cu atoms. First-principles calculations based on density functional theory reveal a reduction of energy barrier that caused rotation of C-C bonds near Cu atoms. We discuss two driving forces, electron irradiation and in situ heating, and conclude that the observed transformations were mainly promoted by electron irradiation. Our results suggest that individual Cu atoms can promote reconstruction of single-layer graphene. PMID:26645468

  20. Hydrogen atoms under magnification: direct observation of the nodal structure of Stark states.

    PubMed

    Stodolna, A S; Rouzée, A; Lépine, F; Cohen, S; Robicheaux, F; Gijsbertsen, A; Jungmann, J H; Bordas, C; Vrakking, M J J

    2013-05-24

    To describe the microscopic properties of matter, quantum mechanics uses wave functions, whose structure and time dependence is governed by the Schrödinger equation. In atoms the charge distributions described by the wave function are rarely observed. The hydrogen atom is unique, since it only has one electron and, in a dc electric field, the Stark Hamiltonian is exactly separable in terms of parabolic coordinates (η, ξ, φ). As a result, the microscopic wave function along the ξ coordinate that exists in the vicinity of the atom, and the projection of the continuum wave function measured at a macroscopic distance, share the same nodal structure. In this Letter, we report photoionization microscopy experiments where this nodal structure is directly observed. The experiments provide a validation of theoretical predictions that have been made over the last three decades. PMID:23745864

  1. Direct observation of TALE protein dynamics reveals a two-state search mechanism

    NASA Astrophysics Data System (ADS)

    Cuculis, Luke; Abil, Zhanar; Zhao, Huimin; Schroeder, Charles M.

    2015-06-01

    Transcription activator-like effector (TALE) proteins are a class of programmable DNA-binding proteins for which the fundamental mechanisms governing the search process are not fully understood. Here we use single-molecule techniques to directly observe TALE search dynamics along DNA templates. We find that TALE proteins are capable of rapid diffusion along DNA using a combination of sliding and hopping behaviour, which suggests that the TALE search process is governed in part by facilitated diffusion. We also observe that TALE proteins exhibit two distinct modes of action during the search process--a search state and a recognition state--facilitated by different subdomains in monomeric TALE proteins. Using TALE truncation mutants, we further demonstrate that the N-terminal region of TALEs is required for the initial non-specific binding and subsequent rapid search along DNA, whereas the central repeat domain is required for transitioning into the site-specific recognition state.

  2. Direct observation of DNA rotation during transcription by Escherichia coli RNA polymerase

    NASA Astrophysics Data System (ADS)

    Harada, Yoshie; Ohara, Osamu; Takatsuki, Akira; Itoh, Hiroyasu; Shimamoto, Nobuo; Kinosita, Kazuhiko

    2001-01-01

    Helical filaments driven by linear molecular motors are anticipated to rotate around their axis, but rotation consistent with the helical pitch has not been observed. 14S dynein and non-claret disjunctional protein (ncd) rotated a microtubule more efficiently than expected for its helical pitch, and myosin rotated an actin filament only poorly. For DNA-based motors such as RNA polymerase, transcription-induced supercoiling of DNA supports the general picture of tracking along the DNA helix. Here we report direct and real-time optical microscopy measurements of rotation rate that are consistent with high-fidelity tracking. Single RNA polymerase molecules attached to a glass surface rotated DNA for >100 revolutions around the right-handed screw axis of the double helix with a rotary torque of >5pNnm. This real-time observation of rotation opens the possibility of resolving individual transcription steps.

  3. Direct observation of transition paths during the folding of proteins and nucleic acids.

    PubMed

    Neupane, Krishna; Foster, Daniel A N; Dee, Derek R; Yu, Hao; Wang, Feng; Woodside, Michael T

    2016-04-01

    Transition paths, the fleeting trajectories through the transition states that dominate the dynamics of biomolecular folding reactions, encapsulate the critical information about how structure forms. Owing to their brief duration, however, they have not previously been observed directly. We measured transition paths for both nucleic acid and protein folding, using optical tweezers to observe the microscopic diffusive motion of single molecules traversing energy barriers. The average transit times and the shapes of the transit-time distributions agreed well with theoretical expectations for motion over the one-dimensional energy landscapes reconstructed for the same molecules, validating the physical theory of folding reactions. These measurements provide a first look at the critical microscopic events that occur during folding, opening exciting new avenues for investigating folding phenomena. PMID:27124461

  4. Direct Observation of a Gas Molecule (H2, Ar) Swallowed by C60

    SciTech Connect

    Sawa, H.; Kakiuchi, T.; Wakabayashi, Y.; Murata, Y.; Murata, M.; Komatsu, K.; Yakigaya, K.; Takagi, H.; Dragoe, N.

    2007-01-19

    Various types of endohedral fullerene complexes are known to date. The well known metallofullerenes are generally produced by arc-discharge method, but the use of such extremely drastic conditions is apparently not suitable for encapsulation of unstable molecules or gases. We recently succeeded in incorporation of a H2 molecule or an Ar atom in 100% into a C60. In order to observe the endohedral gas molecule directly, the X-ray diffraction analysis using synchrotron radiation were carried out. We observed a gas molecule encapsulated in each fullerene cage using structure analysis and the maximum entropy method. These gas molecules are floating inside of the hollow cavities and are completely isolated from the outside.

  5. Hands on the sun: Teaching SEC science through hands on inquiery and direct observation

    NASA Astrophysics Data System (ADS)

    Mayo, L.; Cline, T.; Lewis, E.

    2003-04-01

    Hands on the Sun is a model partnership between the NASA Sun Earth Connection Education Forum (SECEF), Coronado Instruments, Space Science Institute, NOAO/Kitt Peak, Flandrau Planetarium, Astronomical League, and professional astronomers. This joint venture uses experiential learning, provocative talks, and direct observation in both formal and informal education venues to teach participants (K-12 educators, amateur astronomers, and the general public) about the sun, its impact on the Earth, and the importance of understanding the sun-Earth system. The program consists of three days of workshops and activities including tours and observing sessions on Kitt Peak including the National Solar Observatory, planetarium shows, exhibits on space weather, and professional development workshops targeted primarily at Hispanic public school science teachers which are intended to provide hands on activities demonstrating solar and SEC science that can be integrated into the classroom science curriculum. This talk will describe the many facets of this program and discuss our plans for future events.

  6. Direct Observation of the Three-State Folding of a Single Protein Molecule

    NASA Astrophysics Data System (ADS)

    Cecconi, Ciro; Shank, Elizabeth A.; Bustamante, Carlos; Marqusee, Susan

    2005-09-01

    We used force-measuring optical tweezers to induce complete mechanical unfolding and refolding of individual Escherichia coli ribonuclease H (RNase H) molecules. The protein unfolds in a two-state manner and refolds through an intermediate that correlates with the transient molten globule-like intermediate observed in bulk studies. This intermediate displays unusual mechanical compliance and unfolds at substantially lower forces than the native state. In a narrow range of forces, the molecule hops between the unfolded and intermediate states in real time. Occasionally, hopping was observed to stop as the molecule crossed the folding barrier directly from the intermediate, demonstrating that the intermediate is on-pathway. These studies allow us to map the energy landscape of RNase H.

  7. Direct satellite observations on bremsstrahlung radiation as a technique to investigate its role in meteorological processes

    NASA Technical Reports Server (NTRS)

    Johnson, R. G.; Imhof, W. L.

    1975-01-01

    It was suggested that bremsstrahlung radiation associated with strong auroras (in turn associated with geomagnetic disturbances) may cause increased ionization near the 300-millibar level, which, in turn, leads to the formation of cirrus clouds. These clouds could modify the outgoing black body radiation rates and influence weather patterns. The first satellite observations on bremsstrahlung radiation produced in the atmosphere by precipitating energetic electrons are discussed. This type of observation affords the possibility of directly monitoring the bremsstrahlung energy input to the lower atmosphere over large segments of earth and at frequent intervals. Detailed measurements on the spatial and energy distributions of the bremsstrahlung radiation are feasible with present techniques, and satellite data on widespread bremsstrahlung events are presented and discussed. From comparison of the ion production rates from cosmic rays with those calculated from bremsstrahlung from precipitating energetic electrons, it is concluded that bremsstrahlung radiation is a negligible contributor to the ionization near the 300-millibar level.

  8. Direct observation of frictional contacts: New insights for state-dependent properties

    USGS Publications Warehouse

    Dieterich, J.H.; Kilgore, B.D.

    1994-01-01

    Rocks and many other materials display a rather complicated, but characteristic, dependence of friction on sliding history. These effects are well-described by empirical rate- and state-dependent constitutive formulations which have been utilized for analysis of fault slip and earthquake processes. We present a procedure for direct quantitative microscopic observation of frictional contacts during slip. The observations reveal that frictional state dependence represents an increase of contact area with contact age. Transient changes of sliding resistance correlate with changes in contact area and arise from shifts of contact population age. Displacement-dependent replacement of contact populations is shown to cause the diagnostic evolution of friction over a characteristic sliding distance that occurs whenever slip begins or sliding conditions change. ?? 1994 Birkha??user Verlag.

  9. Direct coupling of photonic modes and surface plasmon polaritons observed in 2-photon PEEM.

    PubMed

    Word, Robert C; Fitzgerald, Joseph P S; Könenkamp, Rolf

    2013-12-16

    We report the direct microscopic observation of optical energy transfer from guided photonic modes in an indium tin oxide (ITO) thin film to surface plasmon polaritons (SPP) at the surfaces of a single crystalline gold platelet. The photonic and SPP modes appear as an interference pattern in the photoelectron emission yield across the surface of the specimen. We explore the momentum match between the photonic and SPP modes in terms of simple waveguide theory and the three-layer slab model for bound SPP modes of thin metal films. We show that because the gold is thin (30-40 nm), two SPP modes exist and that momentum of the spatially confined asymmetric field mode coincides with the dominant mode of the ITO waveguide. The results demonstrate that photoemission electron microscopy (PEEM) can be an important tool for the observation of photonic to SPP interactions in the study of integrated photonic circuits. PMID:24514628

  10. IMF Direction Derived from Cycloid-Like Ion Distributions Observed by Mars Express

    NASA Astrophysics Data System (ADS)

    Yamauchi, M.; Futaana, Y.; Fedorov, A.; Dubinin, E.; Lundin, R.; Sauvaud, J.-A.; Winningham, D.; Frahm, R.; Barabash, S.; Holmstrom, M.; Woch, J.; Fraenz, M.; Budnik, E.; Borg, H.; Sharber, J. R.; Coates, A. J.; Soobiah, Y.; Koskinen, H.; Kallio, E.; Asamura, K.; Hayakawa, H.; Curtis, C.; Hsieh, K. C.; Sandel, B. R.; Grande, M.; Grigoriev, A.; Wurz, P.; Orsini, S.; Brandt, P.; McKenna-Lawler, S.; Kozyra, J.; Luhmann, J.

    Although the Mars Express (MEX) does not carry a magnetometer, it is in principle possible to derive the interplanetary magnetic field (IMF) orientation from the three dimensional velocity distribution of pick-up ions measured by the Ion Mass Analyser (IMA) on board MEX because pick-up ions' orbits, in velocity phase space, are expected to gyrate around the IMF when the IMF is relatively uniform on a scale larger than the proton gyroradius. Upstream of bow shock, MEX often observed cycloid distributions (two dimensional partial ring distributions in velocity phase space) of protons in a narrow channel of the IMA detector (only one azimuth for many polar angles). We show two such examples. Three different methods are used to derive the IMF orientation from the observed cycloid distributions. One method is intuitive (intuitive method), while the others derive the minimum variance direction of the velocity vectors for the observed ring ions. These velocity vectors are selected either manually (manual method) or automatically using simple filters (automatic method). While the intuitive method and the manual method provide similar IMF orientations by which the observed cycloid distribution is well arranged into a partial circle (representing gyration) and constant parallel velocity, the automatic method failed to arrange the data to the degree of the manual method, yielding about a 30° offset in the estimated IMF direction. The uncertainty of the derived IMF orientation is strongly affected by the instrument resolution. The source population for these ring distributions is most likely newly ionized hydrogen atoms, which are picked up by the solar wind.

  11. IMF Direction Derived from Cycloid-Like Ion Distributions Observed by Mars Express

    NASA Astrophysics Data System (ADS)

    Yamauchi, M.; Futaana, Y.; Fedorov, A.; Dubinin, E.; Lundin, R.; Sauvaud, J.-A.; Winningham, D.; Frahm, R.; Barabash, S.; Holmstrom, M.; Woch, J.; Fraenz, M.; Budnik, E.; Borg, H.; Sharber, J. R.; Coates, A. J.; Soobiah, Y.; Koskinen, H.; Kallio, E.; Asamura, K.; Hayakawa, H.; Curtis, C.; Hsieh, K. C.; Sandel, B. R.; Grande, M.; Grigoriev, A.; Wurz, P.; Orsini, S.; Brandt, P.; McKenna-Lawler, S.; Kozyra, J.; Luhmann, J.

    2006-10-01

    Although the Mars Express (MEX) does not carry a magnetometer, it is in principle possible to derive the interplanetary magnetic field (IMF) orientation from the three dimensional velocity distribution of pick-up ions measured by the Ion Mass Analyser (IMA) on board MEX because pick-up ions' orbits, in velocity phase space, are expected to gyrate around the IMF when the IMF is relatively uniform on a scale larger than the proton gyroradius. During bow shock outbound crossings, MEX often observed cycloid distributions (two dimensional partial ring distributions in velocity phase space) of protons in a narrow channel of the IMA detector (only one azimuth for many polar angles). We show two such examples. Three different methods are used to derive the IMF orientation from the observed cycloid distributions. One method is intuitive (intuitive method), while the others derive the minimum variance direction of the velocity vectors for the observed ring ions. These velocity vectors are selected either manually (manual method) or automatically using simple filters (automatic method). While the intuitive method and the manual method provide similar IMF orientations by which the observed cycloid distribution is well arranged into a partial circle (representing gyration) and constant parallel velocity, the automatic method failed to arrange the data to the degree of the manual method, yielding about a 30° offset in the estimated IMF direction. The uncertainty of the derived IMF orientation is strongly affected by the instrument resolution. The source population for these ring distributions is most likely newly ionized hydrogen atoms, which are picked up by the solar wind.

  12. Direct observations of aluminosilicate weathering in the hyporheic zone of an Antarctic Dry Valley stream

    NASA Astrophysics Data System (ADS)

    Maurice, Patricia A.; McKnight, Diane M.; Leff, Laura; Fulghum, Julia E.; Gooseff, Michael

    2002-04-01

    This study focused on chemical weathering and bacterial ecology in the hyporheic zone of Green Creek, a McMurdo Dry Valley (Antarctica) stream. An in situ microcosm approach was used to observe dissolution features on the basal-plane surface of muscovite mica. Four mica chips were buried in December 1999 and dug up 39 d later. Atomic force microscopy (AFM) of the basal-plane surfaces revealed small, anhedral ˜10-Å-deep etch pits covering ˜4% of the surfaces, from which an approximate basal-plane dissolution rate of 8.3 × 10 -18 mol muscovite cm -2 s -1 was calculated (on the basis of the geometric surface area) for the study period. This is an integrated initial dissolution rate on a fresh surface exposed for a relatively brief period over the austral summer and should not be compared directly to other long-term field rates. The observation of weathering features on mica agrees with previous stream- and watershed-scale studies in the Dry Valleys, which have demonstrated that weathering occurs where liquid water is present, despite the cold temperatures. AFM imaging of mica surfaces revealed biofilms including numerous small (<1 μm long), rounded, oblong bacteria. The AFM observations agreed well with X-ray photoelectron microscopy results showing increased organic C and N. Bacteriologic analysis of the hyporheic zone sediments also revealed <1-μm-long bacteria. α-Proteobacteria were observed, consistent with the oligotrophic conditions of the hyporheic zone. Nitrate-reducing bacteria were found, in agreement with a previous tracer test at Green Creek that suggested nitrate reduction occurs in the hyporheic zone. The results of this study thus provide direct evidence of dynamic geochemical and microbial processes in the hyporheic zone of a Dry Valley stream despite the extreme conditions; such processes were inferred previously from stream-scale hydrogeochemical studies.

  13. Interactions between C and Cu atoms in single-layer graphene: direct observation and modelling

    NASA Astrophysics Data System (ADS)

    Kano, Emi; Hashimoto, Ayako; Kaneko, Tomoaki; Tajima, Nobuo; Ohno, Takahisa; Takeguchi, Masaki

    2015-12-01

    Metal doping into the graphene lattice has been studied recently to develop novel nanoelectronic devices and to gain an understanding of the catalytic activities of metals in nanocarbon structures. Here we report the direct observation of interactions between Cu atoms and single-layer graphene by transmission electron microscopy. We document stable configurations of Cu atoms in the graphene sheet and unique transformations of graphene promoted by Cu atoms. First-principles calculations based on density functional theory reveal a reduction of energy barrier that caused rotation of C-C bonds near Cu atoms. We discuss two driving forces, electron irradiation and in situ heating, and conclude that the observed transformations were mainly promoted by electron irradiation. Our results suggest that individual Cu atoms can promote reconstruction of single-layer graphene.Metal doping into the graphene lattice has been studied recently to develop novel nanoelectronic devices and to gain an understanding of the catalytic activities of metals in nanocarbon structures. Here we report the direct observation of interactions between Cu atoms and single-layer graphene by transmission electron microscopy. We document stable configurations of Cu atoms in the graphene sheet and unique transformations of graphene promoted by Cu atoms. First-principles calculations based on density functional theory reveal a reduction of energy barrier that caused rotation of C-C bonds near Cu atoms. We discuss two driving forces, electron irradiation and in situ heating, and conclude that the observed transformations were mainly promoted by electron irradiation. Our results suggest that individual Cu atoms can promote reconstruction of single-layer graphene. Electronic supplementary information (ESI) available: Three TEM movies, additional TEM data corresponding to movies, calculated models, and lifetime results. See DOI: 10.1039/c5nr05913e

  14. Diversity of sub-bandgap states in lead-sulfide nanocrystals: real-space spectroscopy and mapping at the atomic-scale.

    PubMed

    Gervasi, Christian F; Kislitsyn, Dmitry A; Allen, Thomas L; Hackley, Jason D; Maruyama, Ryuichiro; Nazin, George V

    2015-12-14

    Colloidal semiconductor nanocrystals have emerged as a promising class of technological materials with optoelectronic properties controllable through quantum-confinement effects. Despite recent successes in this field, an important factor that remains difficult to control is the impact of the nanocrystal surface structure on the photophysics and electron transport in nanocrystal-based materials. In particular, the presence of surface defects and irregularities can result in the formation of localized sub-bandgap states that can dramatically affect the dynamics of charge carriers and electronic excitations. Here we use Scanning Tunneling Spectroscopy (STS) to investigate, in real space, sub-bandgap states in individual ligand-free PbS nanocrystals. In the majority of studied PbS nanocrystals, spatial mapping of electronic density of states with STS shows atomic-scale variations attributable to the presence of surface reconstructions. STS spectra show that the presence of surface reconstructions results in formation of surface-bound sub-bandgap electronic states. The nature of the surface reconstruction varies depending on the surface stoichiometry, with lead-rich surfaces producing unoccupied sub-bandgap states, and sulfur-rich areas producing occupied sub-bandgap states. Highly off-stoichiometric areas produce both occupied and unoccupied states showing dramatically reduced bandgaps. Different reconstruction patterns associated with specific crystallographic directions are also found for different nanocrystals. This study provides insight into the mechanisms of sub-bandgap state formation that, in a modified form, are likely to be applicable to ligand-passivated nanocrystal surfaces, where steric hindrance between ligands can result in under-coordination of surface atoms. PMID:26556538

  15. Direct estimation of QBO-related gravity wave drag from satellite observations

    NASA Astrophysics Data System (ADS)

    Ern, Manfred; Ploeger, Felix; Preusse, Peter; Kalisch, Silvio; Riese, Martin

    2014-05-01

    The quasi-biennial oscillation (QBO) of the zonal wind in the tropical stratosphere is an important process in atmospheric dynamics. Effects of the QBO are found also in the mesosphere and in the extra-tropics. The QBO even has influence on the surface weather and climate, for example during winter in the northern hemisphere at midlatitudes. Still, climate models have large difficulties in reproducing a realistic QBO. The QBO is driven by atmospheric waves. Both global scale waves and mesoscale gravity waves (GWs) contribute. It has been proposed that the driving of the QBO by GWs is more important than that of the global scale waves. The relative importance of GWs is however still highly uncertain, and a direct estimation of the QBO driving by GWs from global observations is still missing. We derive GW temperature variances, GW momentum fluxes and GW drag from three years of High Resolution Dynamics Limb Sounder (HIRDLS) and from 11 years of Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) satellite data. These observations are compared with the drag that is still missing in the tropical momentum budget of the ECMWF ERA Interim (ERAI) reanalysis after considering zonal wind tendency, Coriolis force, advection terms and drag of resolved global-scale waves. The meteorological fields of ERAI are quite realistic because ERAI is strongly constrained by data assimilation. Therefore this missing drag can be attributed to GWs not resolved by the model. We find good qualitative agreement between observed GW drag and the missing drag in ERAI. During eastward QBO wind shear even the magnitude of observed and ERAI missing drag are in good agreement. During westward shear, however, observed drag is much lower than the ERAI missing drag. This asymmetry might hint at uncertainties in the advection terms of ERAI. Further, observed GW spectra indicate that QBO-related GW dissipation is mainly due to critical level filtering.

  16. Direct Observation of Photoinduced Charge Separation in Ruthenium Complex/Ni(OH)2 Nanoparticle Hybrid

    PubMed Central

    Tang, Yu; Pattengale, Brian; Ludwig, John; Atifi, Abderrahman; Zinovev, Alexander V.; Dong, Bin; Kong, Qingyu; Zuo, Xiaobing; Zhang, Xiaoyi; Huang, Jier

    2015-01-01

    Ni(OH)2 have emerged as important functional materials for solar fuel conversion because of their potential as cost-effective bifunctional catalysts for both hydrogen and oxygen evolution reactions. However, their roles as photocatalysts in the photoinduced charge separation (CS) reactions remain unexplored. In this paper, we investigate the CS dynamics of a newly designed hybrid catalyst by integrating a Ru complex with Ni(OH)2 nanoparticles (NPs). Using time resolved X-ray absorption spectroscopy (XTA), we directly observed the formation of the reduced Ni metal site (~60 ps), unambiguously demonstrating CS process in the hybrid through ultrafast electron transfer from Ru complex to Ni(OH)2 NPs. Compared to the ultrafast CS process, the charge recombination in the hybrid is ultraslow (≫50 ns). These results not only suggest the possibility of developing Ni(OH)2 as solar fuel catalysts, but also represent the first time direct observation of efficient CS in a hybrid catalyst using XTA. PMID:26673578

  17. Direct TEM observations of growth mechanisms of two-dimensional MoS2 flakes

    NASA Astrophysics Data System (ADS)

    Fei, Linfeng; Lei, Shuijin; Zhang, Wei-Bing; Lu, Wei; Lin, Ziyuan; Lam, Chi Hang; Chai, Yang; Wang, Yu

    2016-07-01

    A microscopic understanding of the growth mechanism of two-dimensional materials is of particular importance for controllable synthesis of functional nanostructures. Because of the lack of direct and insightful observations, how to control the orientation and the size of two-dimensional material grains is still under debate. Here we discern distinct formation stages for MoS2 flakes from the thermolysis of ammonium thiomolybdates using in situ transmission electron microscopy. In the initial stage (400 °C), vertically aligned MoS2 structures grow in a layer-by-layer mode. With the increasing temperature of up to 780 °C, the orientation of MoS2 structures becomes horizontal. When the growth temperature reaches 850 °C, the crystalline size of MoS2 increases by merging adjacent flakes. Our study shows direct observations of MoS2 growth as the temperature evolves, and sheds light on the controllable orientation and grain size of two-dimensional materials.

  18. Direct TEM observations of growth mechanisms of two-dimensional MoS2 flakes.

    PubMed

    Fei, Linfeng; Lei, Shuijin; Zhang, Wei-Bing; Lu, Wei; Lin, Ziyuan; Lam, Chi Hang; Chai, Yang; Wang, Yu

    2016-01-01

    A microscopic understanding of the growth mechanism of two-dimensional materials is of particular importance for controllable synthesis of functional nanostructures. Because of the lack of direct and insightful observations, how to control the orientation and the size of two-dimensional material grains is still under debate. Here we discern distinct formation stages for MoS2 flakes from the thermolysis of ammonium thiomolybdates using in situ transmission electron microscopy. In the initial stage (400 °C), vertically aligned MoS2 structures grow in a layer-by-layer mode. With the increasing temperature of up to 780 °C, the orientation of MoS2 structures becomes horizontal. When the growth temperature reaches 850 °C, the crystalline size of MoS2 increases by merging adjacent flakes. Our study shows direct observations of MoS2 growth as the temperature evolves, and sheds light on the controllable orientation and grain size of two-dimensional materials. PMID:27412892

  19. Evaluation of flow direction methods against field observations of overland flow dispersion

    NASA Astrophysics Data System (ADS)

    Orlandini, Stefano; Moretti, Giovanni; Corticelli, Mauro A.; Santangelo, Paolo E.; Capra, Alessandro; Rivola, Riccardo; Albertson, John D.

    2012-10-01

    The D8, D8-LTD, D∞-LTD, D∞, MD∞, and MD8 flow direction methods are evaluated against field observations of overland flow dispersion obtained from novel experimental methods. Thin flows of cold water were released at selected points on a warmer slope and individual overland flow patterns originating from each of these points were observed using a terrestrial laser scanner and a thermal imaging camera. Land microtopography was determined by using laser returns from the dry land surface, whereas overland flow patterns were determined by using either laser returns or infrared emissions from the wetted portions of the land surface. Planar overland flow dispersion is found to play an important role in the region lying immediately downslope of the point source, but attenuates rapidly as flow propagates downslope. In contrast, existing dispersive flow direction methods are found to provide a continued dispersion with distance downslope. Predicted propagation patterns, for all methods considered here, depend critically on the size h of grid cells involved. All methods are found to be poorly sensitive in extremely fine grids (h ≤ 2 cm), and to be poorly specific in coarse grids (h = 2 m). Satisfactory results are, however, obtained in grids having resolutions h that approach the average flow width (50 cm), with the best performances displayed by the MD8 method in the finest grids (5 ≤ h ≤ 20 cm), and by the MD∞, D∞, and D∞-LTD methods in the coarsest grids (20 cm < h ≤ 1 m).

  20. Observation of uniaxial anisotropy along the [100] direction in crystalline Fe film

    PubMed Central

    Bac, Seul-Ki; Lee, Hakjoon; Lee, Sangyoep; Choi, Seonghoon; Yoo, Taehee; Lee, Sanghoon; Liu, X.; Furdyna, J. K.

    2015-01-01

    We report an observation of uniaxial magnetic anisotropy along the [100] crystallographic direction in crystalline Fe film grown on Ge buffers deposited on a (001) GaAs substrate. As expected, planar Hall resistance (PHR) measurements reveal the presence of four in-plane magnetic easy axes, indicating the dominance of the cubic anisotropy in the film. However, systematic mapping of the PHR hysteresis loops observed during magnetization reversal at different field orientations shows that the easy axes along the and are not equivalent. Such breaking of the cubic symmetry can only be ascribed to the presence of uniaxial anisotropy along the direction of the Fe film. Analysis of the PHR data measured as a function of orientation of the applied magnetic field allowed us to quantify the magnitude of this uniaxial anisotropy field as Oe. Although this value is only 1.5% of cubic anisotropy field, its presence significantly changes the process of magnetization reversal, revealing the important role of the uniaxial anisotropy in Fe films. Breaking of the cubic symmetry in the Fe film deposited on a Ge buffer is surprising, and we discuss possible reason for this unexpected behavior. PMID:26635278

  1. Direct TEM observations of growth mechanisms of two-dimensional MoS2 flakes

    PubMed Central

    Fei, Linfeng; Lei, Shuijin; Zhang, Wei-Bing; Lu, Wei; Lin, Ziyuan; Lam, Chi Hang; Chai, Yang; Wang, Yu

    2016-01-01

    A microscopic understanding of the growth mechanism of two-dimensional materials is of particular importance for controllable synthesis of functional nanostructures. Because of the lack of direct and insightful observations, how to control the orientation and the size of two-dimensional material grains is still under debate. Here we discern distinct formation stages for MoS2 flakes from the thermolysis of ammonium thiomolybdates using in situ transmission electron microscopy. In the initial stage (400 °C), vertically aligned MoS2 structures grow in a layer-by-layer mode. With the increasing temperature of up to 780 °C, the orientation of MoS2 structures becomes horizontal. When the growth temperature reaches 850 °C, the crystalline size of MoS2 increases by merging adjacent flakes. Our study shows direct observations of MoS2 growth as the temperature evolves, and sheds light on the controllable orientation and grain size of two-dimensional materials. PMID:27412892

  2. Direct spectroscopic observation of a shallow hydrogenlike donor state in insulating SrTiO3.

    PubMed

    Salman, Z; Prokscha, T; Amato, A; Morenzoni, E; Scheuermann, R; Sedlak, K; Suter, A

    2014-10-10

    We present a direct spectroscopic observation of a shallow hydrogenlike muonium state in SrTiO(3) which confirms the theoretical prediction that interstitial hydrogen may act as a shallow donor in this material. The formation of this muonium state is temperature dependent and appears below ∼ 70K. From the temperature dependence we estimate an activation energy of ∼ 50 meV in the bulk and ∼ 23 meV near the free surface. The field and directional dependence of the muonium precession frequencies further supports the shallow impurity state with a rare example of a fully anisotropic hyperfine tensor. From these measurements we determine the strength of the hyperfine interaction and propose that the muon occupies an interstitial site near the face of the oxygen octahedron in SrTiO(3). The observed shallow donor state provides new insight for tailoring the electronic and optical properties of SrTiO(3)-based oxide interface systems. PMID:25375730

  3. The Exozodiacal Dust Problem for Direct Observations of ExoEarths

    NASA Technical Reports Server (NTRS)

    Roberge, Aki; Chen, Christine H.; Millan-Gabet, Rafael; Weinberger, Alycia J.; Hinz, Philip M.; Stapelfeldt, Karl R.; Absil, Olivier; Kuchner, Marc J.; Bryden, Geoffrey

    2012-01-01

    Debris dust in the habitable zones of stars otherwise known as exozodiacal dust comes from extrasolar asteroids and comets and is thus an expected part of a planetary system. Background flux from the Solar Systems zodiacal dust and the exozodiacal dust in the target system is likely to be the largest source of astrophysical noise in direct observations of terrestrial planets in the habitable zones of nearby stars. Furthermore, dust structures like clumps, thought to be produced by dynamical interactions with exoplanets, are a possible source of confusion. In this paper, we qualitatively assess the primary impact of exozodical dust on high-contrast direct imaging at optical wavelengths, such as would be performed with a coronagraph. Then we present the sensitivity of previous, current, and near-term facilities to thermal emission from debris dust at all distances from nearby solar-type stars, as well as our current knowledge of dust levels from recent surveys. Finally, we address the other method of detecting debris dust, through high-contrast imaging in scattered light. This method is currently far less sensitive than thermal emission observations, but provides high spatial resolution for studying dust structures. This paper represents the first report of NASA's Exoplanet Exploration Program Analysis Group (ExoPAG).

  4. Direct Time-Domain Observation of Conformational Relaxation in Gas-Phase Cold Collisions.

    PubMed

    Drayna, Garrett K; Hallas, Christian; Wang, Kenneth; Domingos, Sergio R; Eibenberger, Sandra; Doyle, John M; Patterson, David

    2016-04-11

    Cooling molecules in the gas phase is important for precision spectroscopy, cold molecule physics, and physical chemistry. Measurements of conformational relaxation cross sections shed important light on potential energy surfaces and energy flow within a molecule. However, gas-phase conformational cooling has not been previously observed directly. In this work, we directly observe conformational dynamics of 1,2-propanediol in cold (6 K) collisions with atomic helium using microwave spectroscopy and buffer-gas cooling. Precise knowledge and control of the collisional environment in the buffer-gas allows us to measure the absolute collision cross-section for conformational relaxation. Several conformers of 1,2-propanediol are investigated and found to have relaxation cross-sections with He ranging from σ=4.7(3.0)×10(-18)  cm(2) to σ>5×10(-16)  cm(2) . Our method is applicable to a broad class of molecules and could be used to provide information about the potential energy surfaces of previously uninvestigated molecules. PMID:26992036

  5. Direct Observation of Solar Coronal Magnetic Fields by Vector Tomography of the Coronal Emission Line Polarizations

    NASA Astrophysics Data System (ADS)

    Kramar, M.; Lin, H.; Tomczyk, S.

    2016-03-01

    We present the first direct “observation” of the global-scale, 3D coronal magnetic fields of Carrington Rotation (CR) Cycle 2112 using vector tomographic inversion techniques. The vector tomographic inversion uses measurements of the Fe xiii 10747 Å Hanle effect polarization signals by the Coronal Multichannel Polarimeter (CoMP) and 3D coronal density and temperature derived from scalar tomographic inversion of Solar Terrestrial Relations Observatory (STEREO)/Extreme Ultraviolet Imager (EUVI) coronal emission lines (CELs) intensity images as inputs to derive a coronal magnetic field model that best reproduces the observed polarization signals. While independent verifications of the vector tomography results cannot be performed, we compared the tomography inverted coronal magnetic fields with those constructed by magnetohydrodynamic (MHD) simulations based on observed photospheric magnetic fields of CR 2112 and 2113. We found that the MHD model for CR 2112 is qualitatively consistent with the tomography inverted result for most of the reconstruction domain except for several regions. Particularly, for one of the most noticeable regions, we found that the MHD simulation for CR 2113 predicted a model that more closely resembles the vector tomography inverted magnetic fields. In another case, our tomographic reconstruction predicted an open magnetic field at a region where a coronal hole can be seen directly from a STEREO-B/EUVI image. We discuss the utilities and limitations of the tomographic inversion technique, and present ideas for future developments.

  6. Direct Observation of Photoinduced Charge Separation in Ruthenium Complex/Ni(OH)2 Nanoparticle Hybrid

    DOE PAGESBeta

    Tang, Yu; Pattengale, Brian A.; Ludwig, John M.; Atifi, Abderrahman; Zinovev, Alexander V.; Dong, Bin; Kong, Qingyu; Zuo, Xiaobing; Zhang, Xiaoyi; Huang, Jier

    2015-12-17

    We report that Ni(OH)2 have emerged as important functional materials for solar fuel conversion because of their potential as cost-effective bifunctional catalysts for both hydrogen and oxygen evolution reactions. However, their roles as photocatalysts in the photoinduced charge separation (CS) reactions remain unexplored. In this paper, we investigate the CS dynamics of a newly designed hybrid catalyst by integrating a Ru complex with Ni(OH)2 nanoparticles (NPs). Using time resolved X-ray absorption spectroscopy (XTA), we directly observed the formation of the reduced Ni metal site (~60 ps), unambiguously demonstrating CS process in the hybrid through ultrafast electron transfer from Ru complexmore » to Ni(OH)2 NPs. Compared to the ultrafast CS process, the charge recombination in the hybrid is ultraslow (>>50 ns). These results not only suggest the possibility of developing Ni(OH)2 as solar fuel catalysts, but also represent the first time direct observation of efficient CS in a hybrid catalyst using XTA.« less

  7. Polarization and direction of arrival of Jovian quasiperiodic bursts observed by Cassini

    NASA Astrophysics Data System (ADS)

    Kimura, T.; Cecconi, B.; Zarka, P.; Kasaba, Y.; Tsuchiya, F.; Misawa, H.; Morioka, A.

    2012-11-01

    Jovian quasiperiodic (QP) radio bursts are suspected to be associated with relativistic particle accelerations occurring with a quasiperiodicity between a few minutes and a few tens of minutes in Jupiter's polar magnetosphere. Understanding the excitation and propagation of QP bursts could help us to better understand this periodic energization process. A first necessary step is to measure the wave mode, source location, and directivity of QP bursts. For that purpose, we performed a statistical analysis of goniopolarimetric measurements of QP bursts made with the Radio and Plasma Wave Science investigation (RPWS) onboard Cassini spacecraft during the Jupiter flyby of 2000-2001. We studied two groups of QP bursts on 22 and 23 December 2000, and we found consistent source directions about 50 RJ north of Jupiter with an error bar ≤20 RJ. Statistics of the Stokes parameters indicate that QP bursts are partially left-handed polarized (V > 0, Q, U < 0). Together with the direction finding results, these polarization statistics imply that QP bursts observed from low latitudes are L-O mode waves which have been excited in the northern polar source, have propagated toward high latitudes, and then got refracted equatorward in the magnetosheath. Dependence of the Stokes parameters on the longitude indicates that QP bursts are excited within a particular phase range of the planetary rotation, when the system III longitude of the sub-solar point is between 260° and 480°. This implies that QP radio bursts and associated particle accelerations always occur within the same rotational sector, suggesting the existence of a recurrent magnetospheric disturbance at the planetary rotation period. Finally, we propose a possible scenario for the generation and propagation of QP bursts by combining the results of the present study with those of other recent observational and theoretical studies.

  8. Many-body localization: construction of the emergent local conserved operators via block real-space renormalization

    NASA Astrophysics Data System (ADS)

    Monthus, Cécile

    2016-03-01

    A fully many-body localized (FMBL) quantum disordered system is characterized by the emergence of an extensive number of local conserved operators that prevents the relaxation towards thermal equilibrium. These local conserved operators can be seen as the building blocks of the whole set of eigenstates. In this paper, we propose to construct them explicitly via block real-space renormalization. The principle is that each renormalization group step diagonalizes the smallest remaining blocks and produces a conserved operator for each block. The final output for a chain of N spins is a hierarchical organization of the N conserved operators with ≤ft(\\frac{\\ln N}{\\ln 2}\\right) layers. The system size nature of the conserved operators of the top layers is necessary to describe the possible long-range order of the excited eigenstates and the possible critical points between different FMBL phases. We discuss the similarities and the differences with the strong disorder RSRG-X method that generates the whole set of the 2 N eigenstates via a binary tree of N layers. The approach is applied to the long-range quantum spin-glass Ising model, where the constructed excited eigenstates are found to be exactly like ground states in another disorder realization, so that they can be either in the paramagnetic phase, in the spin-glass phase or critical.

  9. Ab initio phasing by molecular averaging in real space with new criteria: application to structure determination of a betanodavirus

    PubMed Central

    Yoshimura, Masato; Chen, Nai-Chi; Guan, Hong-Hsiang; Chuankhayan, Phimonphan; Lin, Chien-Chih; Nakagawa, Atsushi; Chen, Chun-Jung

    2016-01-01

    Molecular averaging, including noncrystallographic symmetry (NCS) averaging, is a powerful method for ab initio phase determination and phase improvement. Applications of the cross-crystal averaging (CCA) method have been shown to be effective for phase improvement after initial phasing by molecular replacement, isomorphous replacement, anomalous dispersion or combinations of these methods. Here, a two-step process for phase determination in the X-ray structural analysis of a new coat protein from a betanodavirus, Grouper nervous necrosis virus, is described in detail. The first step is ab initio structure determination of the T = 3 icosahedral virus-like particle using NCS averaging (NCSA). The second step involves structure determination of the protrusion domain of the viral molecule using cross-crystal averaging. In this method, molecular averaging and solvent flattening constrain the electron density in real space. To quantify these constraints, a new, simple and general indicator, free fraction (ff), is introduced, where ff is defined as the ratio of the volume of the electron density that is freely changed to the total volume of the crystal unit cell. This indicator is useful and effective to evaluate the strengths of both NCSA and CCA. Under the condition that a mask (envelope) covers the target molecule well, an ff value of less than 0.1, as a new rule of thumb, gives sufficient phasing power for the successful construction of new structures. PMID:27377380

  10. Real-space pseudopotential study of vibrational properties and Raman spectra in Si-Ge core-shell nanocrystals

    NASA Astrophysics Data System (ADS)

    Bobbitt, N. Scott; Chelikowsky, James R.

    2016-03-01

    We examine the vibrational properties and Raman spectra of Si-Ge core-shell nanostructures using real-space pseudopotentials constructed within density functional theory. Our method uses no empirical parameters, unlike many popular methods for predicting Raman spectra for nanocrystals. We find the dominant features of the Raman spectrum for the Si-Ge core-shell structure to be a superposition of the Raman spectra of the Ge and Si nanocrystals with optical peaks around 300 and 500 cm-1, respectively. We also find a Si-Ge "interface" peak at 400 cm-1. The Ge shell causes the Si core to expand from the equilibrium structure. This strain induces significant redshift in the Si contribution to the vibrational and Raman spectra, while the Ge shell is largely unstrained and does not exhibit this shift. We find that the ratio of peak heights is strongly related to the relative size of the core and shell regions. This finding suggests that Raman spectroscopy may be used to characterize the size of the core and shell in these structures.

  11. Ballistic graphene nanoribbon metal-oxide-semiconductor field-effect transistors: A full real-space quantum transport simulation

    NASA Astrophysics Data System (ADS)

    Liang, Gengchiau; Neophytou, Neophytos; Lundstrom, Mark S.; Nikonov, Dmitri E.

    2007-09-01

    A real-space quantum transport simulator for graphene nanoribbon (GNR) metal-oxide-semiconductor field-effect transistors (MOSFETs) has been developed and used to examine the ballistic performance of GNR MOSFETs. This study focuses on the impact of quantum effects on these devices and on the effect of different type of contacts. We found that two-dimensional (2D) semi-infinite graphene contacts produce metal-induced-gap states (MIGS) in the GNR channel. These states enhance quantum tunneling, particularly in short channel devices, they cause Fermi level pinning and degrade the device performance in both the ON-state and OFF-state. Devices with infinitely long contacts having the same width as the channel do not indicate MIGS. Even without MIGS quantum tunneling effects such as band-to-band tunneling still play an important role in the device characteristics and dominate the OFF-state current. This is accurately captured in our nonequilibrium Greens' function quantum simulations. We show that both narrow (1.4 nm width) and wider (1.8 nm width) GNRs with 12.5 nm channel length have the potential to outperform ultrascaled Si devices in terms of drive current capabilities and electrostatic control. Although their subthreshold swings under forward bias are better than in Si transistors, tunneling currents are important and prevent the achievement of the theoretical limit of 60 mV/dec.

  12. Using NASA Data in the Classroom: Promoting STEM Learning in Formal Education using Real Space Science Data

    NASA Astrophysics Data System (ADS)

    Lawton, B.; Hemenway, M. K.; Mendez, B.; Odenwald, S.

    2013-04-01

    Among NASA's major education goals is the training of students in the Science, Technology, Engineering, and Math (STEM) disciplines. The use of real data, from some of the most sophisticated observatories in the world, provides formal educators the opportunity to teach their students real-world applications of the STEM subjects. Combining real space science data with lessons aimed at meeting state and national education standards provides a memorable educational experience that students can build upon throughout their academic careers. Many of our colleagues have adopted the use of real data in their education and public outreach (EPO) programs. There are challenges in creating resources using real data for classroom use that include, but are not limited to, accessibility to computers/Internet and proper instruction. Understanding and sharing these difficulties and best practices with the larger EPO community is critical to the development of future resources. In this session, we highlight three examples of how NASA data is being utilized in the classroom: the Galaxies and Cosmos Explorer Tool (GCET) that utilizes real Hubble Space Telescope data; the computer image-analysis resources utilized by the NASA WISE infrared mission; and the space science derived math applications from SpaceMath@NASA featuring the Chandra and Kepler space telescopes. Challenges and successes are highlighted for these projects. We also facilitate small-group discussions that focus on additional benefits and challenges of using real data in the formal education environment. The report-outs from those discussions are given here.

  13. Ab initio phasing by molecular averaging in real space with new criteria: application to structure determination of a betanodavirus.

    PubMed

    Yoshimura, Masato; Chen, Nai Chi; Guan, Hong Hsiang; Chuankhayan, Phimonphan; Lin, Chien Chih; Nakagawa, Atsushi; Chen, Chun Jung

    2016-07-01

    Molecular averaging, including noncrystallographic symmetry (NCS) averaging, is a powerful method for ab initio phase determination and phase improvement. Applications of the cross-crystal averaging (CCA) method have been shown to be effective for phase improvement after initial phasing by molecular replacement, isomorphous replacement, anomalous dispersion or combinations of these methods. Here, a two-step process for phase determination in the X-ray structural analysis of a new coat protein from a betanodavirus, Grouper nervous necrosis virus, is described in detail. The first step is ab initio structure determination of the T = 3 icosahedral virus-like particle using NCS averaging (NCSA). The second step involves structure determination of the protrusion domain of the viral molecule using cross-crystal averaging. In this method, molecular averaging and solvent flattening constrain the electron density in real space. To quantify these constraints, a new, simple and general indicator, free fraction (ff), is introduced, where ff is defined as the ratio of the volume of the electron density that is freely changed to the total volume of the crystal unit cell. This indicator is useful and effective to evaluate the strengths of both NCSA and CCA. Under the condition that a mask (envelope) covers the target molecule well, an ff value of less than 0.1, as a new rule of thumb, gives sufficient phasing power for the successful construction of new structures. PMID:27377380

  14. Not seeing or feeling is still believing: conscious and non-conscious pain modulation after direct and observational learning

    PubMed Central

    Egorova, Natalia; Park, Joel; Orr, Scott P.; Kirsch, Irving; Gollub, Randy L.; Kong, Jian

    2015-01-01

    Our experience with the world is shaped not only directly through personal exposure but also indirectly through observing others and learning from their experiences. Using a conditioning paradigm, we investigated how directly and observationally learned information can affect pain perception, both consciously and non-consciously. Differences between direct and observed cues were manifest in higher pain ratings and larger skin conductance responses to directly experienced cues. However, the pain modulation effects produced by conditioning were of comparable magnitude for direct and observational learning. These results suggest that social observation can induce positive and negative pain modulation. Importantly, the fact that cues learned by observation and activated non-consciously still produced a robust conditioning effect that withstood extinction highlights the role of indirect exposure in placebo and nocebo effects. PMID:26578164

  15. Direct observations of a mini-magnetosphere in the lunar plasma wake

    NASA Astrophysics Data System (ADS)

    Ma, Yonghui; Wong, Hon-Cheng; Xu, Xiaojun

    2015-04-01

    In this report, we present direct observations of a mini-magnetosphere when ARTEMIS P2 is passing through the lunar wake, where the lunar surface and crustal fields are shielded from the solar wind flows. We find the magnetic field amplification simultaneously with the dropout of plasma density and particle energy fluxes when the orbit of P2 is just over the margin of Imbrium antipode anomaly which is centered at 162o E, 33o S. The observational interval of these characteristic features is merely 95 seconds (from 1413:15 UT to 1414:50 UT on December 9th 2012) and the orbit altitude of P2 is ~226 km. The strength of magnetic field at P2 orbit altitude (~226 km) can reach ~9 nT over the anomaly region compared to the relatively small value of ~6 nT in the neighboring regions. In addition to these, we also detect the moderate ion and electron temperature increase inside the mini-magnetosphere as well as the rotation in the magnetic field direction near the boundary of mini-magnetosphere. These field and plasma parameters demonstrate that the vertical size of the mini-magnetosphere near lunar surface can at least extend to ~230 km in the near-vacuum lunar wake without the interaction with the solar wind. We also try to explain the detailed plasma dynamics performed within this mini-magnetosphere by dipole model or non-dipolar model. This study may open up a new view of studying lunar mini-magnetosphere by spacecraft observations in the lunar wake where magnetic anomaly fields are almost undisturbed.

  16. Toward the Direct Measurement of Coronal Magnetic Fields: An Airborne Infrared Spectrometer for Eclipse Observations

    NASA Astrophysics Data System (ADS)

    Samra, J.; DeLuca, E. E.; Golub, L.; Cheimets, P.

    2014-12-01

    The solar magnetic field enables the heating of the corona and provides its underlying structure. Energy stored in coronal magnetic fields is released in flares and coronal mass ejections (CME) and provides the ultimate source of energy for space weather. Therefore, direct measurements of the coronal magnetic field have significant potential to enhance understanding of coronal dynamics and improve solar forecasting models. Of particular interest are observations of coronal field lines in the transitional region between closed and open flux systems, providing important information on the origin of the slow solar wind. While current instruments routinely observe only the photospheric and chromospheric magnetic fields, a proposed airborne spectrometer will take a step toward the direct observation of coronal fields by measuring plasma emission in the infrared at high spatial and spectral resolution. The targeted lines are four forbidden magnetic dipole transitions between 2 and 4 μm. The airborne system will consist of a telescope, grating spectrometer, and pointing/stabilization system to be flown on the NSF/NCAR High-performance Instrumented Airborne Platform for Environmental Research (HIAPER) during the August 2017 total solar eclipse. The project incorporates several optical engineering challenges, centered around maintaining adequate spectral and spatial resolution in a compact and inexpensive package and on a moving platform. Design studies are currently underway to examine the tradeoffs between various optical geometries and control strategies for the pointing/stabilization system. The results will be presented and interpreted in terms of the consequences for the scientific questions. In addition, results from a laboratory prototype and simulations of the final system will be presented.

  17. Direct Imaging of an Emerging Flux Rope and a Resulting Chromospheric Jet Observed by Hinode

    NASA Astrophysics Data System (ADS)

    Liu, Wei; Berger, T.; Title, A. M.; Tarbell, T. D.; DeRosa, M.

    2010-05-01

    Magnetic flux emergence has been traditionally observed on the disk by identifying changes in magnetograms. Observations near the limb offer an alternative perspective and allow direct imaging of emerging flux ropes. We present Hinode/SOT Ca II H observations of such an event in an equatorial coronal hole on 2007 February 9. The precursor of the event was a bundle of fine material threads that extended at an oblique angle above the chromosphere and appeared to rotate about a common axis. This bundle first slowly and then rapidly swung up, accompanied by a loop that appeared at the base of the bundle and expanded at comparable rates. During the first (slow rise) stage, the apex of the loop ascended at 16 km/s, a velocity similar to that of H-alpha arch filaments (e.g., Chou & Zirin) and of emerging flux ropes expanding into the corona as found in MHD simulations (e.g., Fan & Gibson; Martinez-Sykora). The second stage started at the onset of a GOES A5 flare and the loop expansion accelerated, reaching a velocity of 130 km/s when the loop appeared to rupture near the peak of the flare. The material bundle then swung back in a whiplike manner and developed into a collimated jet, exhibiting oscillatory transverse motions across its axis, as expected from unwinding twists. Some jet material fell back along smooth streamlines, which bypass an unseen dome and presumably a null point in the low corona, depicting an inverted-Y shape. Some of these observations resemble the model (e.g., Uchida & Shibata) of the emergence of a twisted flux rope into an open field region that leads to reconnection and formation of a jet. Some observations are, however, not predicted in previous models and we will discuss their implications.

  18. Validation of a New Counter for Direct Observation of Physical Activity in Parks

    PubMed Central

    Han, Bing; Cohen, Deborah A.; Derose, Kathryn Pitkin; Marsh, Terry; Williamson, Stephanie; Raaen, Laura

    2015-01-01

    Purpose Prior tools to observe large groups of people in parks have not allowed disaggregation of physical activity levels by age group and gender simultaneously, making it impossible to determine which subgroups engaged in moderate to vigorous physical activity (MVPA). This study aims to examine the reliability of a 12-button counter to simultaneously assess MVPA by age and gender subgroups in park settings. Methods A total of 1,160 pairs of observations were conducted in 481 target areas of 19 neighborhood parks in the great Los Angeles area between June 2013 and March 2014. Inter-rater reliability was assessed by Pearson’s correlation, intra-class correlation (ICC), and agreement probability in the total metabolic equivalents (METs) and METs spent in MVPA. Cosine similarity was used to check the resemblance of distributions among age and gender categories. Pictures taken in a total of 112 target areas at the beginning of the observations were used as a second check on the reliability of direct observation. Results Inter-rater reliability was high for the total METs and METs in all age and gender categories (between 0.82 and 0.97), except for male seniors (correlations and ICC between 0.64 and 0.77, agreement probability 0.85 to 0.86). Reliability was higher for total METs than for METs spent in MVPA. Correlation and ICC between observers’ measurement and picture-based counts are also high (between 0.79 and 0.94). Conclusion Trained observers can reliably use the 12-button counter to accurately assess PA distribution and disparities by age and gender. PMID:26103584

  19. Combining direct and remote observations with modeling to understand the terrestrial carbon cycle

    NASA Astrophysics Data System (ADS)

    Churkina, G.

    2002-06-01

    Explaining observed regional-scale variability of carbon fluxes is critical for increasing the credibility of predictions of future ecosystem changes. Combining direct and remote observations is not straightforward because the observations are taken at different spatial and temporal scales and previous land satellite missions have not been designed for use together with existing measuring networks. Although ecosystem models, which estimate relevant components of the carbon cycle at different spatial and temporal scale, can serve as an integrative tool, their estimates of the state variables have uncertainties related to the poorly understood processes. Nevertheless, our first attempts to combine the three tools show interesting relationships between satellite indices and flux measurements as well as outline some issues, which can be resolve by the type of data provided by SPECTRA. A new technique of CO2 and energy fluxes measurements on tall (200-600 m) towers allows studying ecosystem-atmosphere interactions at the regional scale using a combination of CO2 observations, ecosystem modeling, and remote sensing. Signal measured at a tall tower integrates both daily biogeochemical cycles and small-scale heterogeneity of the land surface. For 1997-99 we compared the "preferred" annual net ecosystem exchange (NEE) measured at the tall tower in Wisconsin to the simulated annual NEE (BIOME-BGC model) and to adjusted normalized difference vegetation index (NDVI) aggregated over each year. Most of the differences between measured and modeled fluxes occurred in the beginning and the end of growing season. The length of the carbon uptake period defined by CO2 exchange observations was better captured by remote observations (NDVI) than by the model. Small deviations in growing season length resulted in significantly different annual NEE from measurements and model simulations. Analysis of the carbon uptake period by terrestrial vegetation and the annual net ecosystem exchange

  20. Evaluation of flow direction methods against field observations of overland flow dispersion

    NASA Astrophysics Data System (ADS)

    Orlandini, S.; Moretti, G.; Corticelli, M. A.; Santangelo, P. E.; Capra, A.; Rivola, R.; Albertson, J. D.

    2012-12-01

    Despite the broad effort made in grid-based distributed catchment modeling to account for planar overland flow dispersion, actual dispersion experienced by overland flow along a natural slope has not been measured so far, and the ability of terrain analysis methods to reproduce this dispersion has not been evaluated. In the present study, the D8, D8-LTD, D∞ -LTD, D∞ , MD∞ , and MD8 flow direction methods are evaluated against field observations of overland flow dispersion obtained from novel experimental methods. Thin flows of cold (2--10oC) water were released at selected points on a warmer (15--30oC) slope and individual overland flow patterns originating from each of these points were observed using a terrestrial laser scanner and a thermal imaging camera. Prior to each experimental water release, a ScanStation C10 terrestrial laser scanner by Leica Geosystems was used to acquire a point cloud having average density of 25~points/cm2. This point cloud was used to generate alternative grid-based digital elevation models having resolution h ranging from 1~cm to 2~m. During the experiments, an Avio Advanced Thermo TVS-500EX camera by Nippon Avionics was used to monitor land surface temperature with resolution better than 0.05oC. The overland flow patterns were also found to be discernible in terrestrial laser scanner reflectance signal acquired immediately following the flow experiments. Overland flow patterns were determined by considering contrasted temperature and reflectance of the dry and wetted land surface portions. Predicted propagation patterns and observed flow patterns were compared by considering the fractions of flow released at the point source that propagates through the grid cells. Predictions of these quantities were directly provided by flow direction methods and by related flow accumulation algorithms. Suitable data for the comparison were derived from observed overland flow patterns by assuming a uniform distribution of flow along each

  1. Direct observations of the influence of solution composition on magnesite dissolution

    NASA Astrophysics Data System (ADS)

    King, Helen E.; Putnis, Christine V.

    2013-05-01

    In situ observations during atomic force microscopy experiments and ex situ observations after static and flow-through experiments were used to explore the effect of three different electrolytes on magnesite (MgCO3) dissolution at pH 2. The experiments showed that the magnesite dissolution rate varied in the order NO3->Cl>SO42- when these anions were present in solution. Under the experimental conditions magnesite dissolution occurred via the removal of successive single surface layers, where changes in magnesite reactivity in the presence of different electrolytes could be observed as variations in the cycle length for the removal of one unit cell layer. The cycles began with the formation of sporadically distributed etch pits followed by the nucleation of homogeneously distributed etch pits. Coalescence of the etch pits formed isolated sections of the remnant surface, which then dissolved away. The timing of sporadic and homogeneous etch pit nucleation was constant despite the presence of different anions. However, the cycles in surface roughness and etch pit spreading rates indicate that the different anions affect step retreat rates and hence dissolution rates. Differences in magnesite reactivity can be attributed to the direct interaction of sulphate with the magnesite surface and the indirect effects of chloride and nitrate on the magnesite surface hydration and hydration of the Mg2+ ion in solution. In all experiments during the dissolution process evidence for the precipitation of a new phase was observed, either directly as precipitates forming on the magnesite surface in the AFM and after the experiments, seen in SEM analysis, or as changes in the Mg outlet concentration during flow-through experiments. EDX and Raman spectroscopy were used to analyse the composition of the precipitate and although it could not be definitively identified, considering previous observations the precipitate is most likely a hydrated Mg-carbonate phase with a MgCO3·xH2O

  2. DIRECT OBSERVATION OF THE COOLING OF THE CASSIOPEIA A NEUTRON STAR

    SciTech Connect

    Heinke, Craig O.; Ho, Wynn C. G. E-mail: wynnho@slac.stanford.ed

    2010-08-20

    The cooling rate of young neutron stars (NSs) gives direct insight into their internal makeup. Although the temperatures of several young NSs have been measured, until now a young NS has never been observed to decrease in temperature over time. We fit nine years of archival Chandra ACIS spectra of the likely NS in the {approx}330 yr old Cassiopeia A supernova remnant with our non-magnetic carbon atmosphere model. Our fits show a relative decline in the surface temperature by 4% (5.4{sigma}, from (2.12 {+-} 0.01) x 10{sup 6} K in 2000 to (2.04 {+-} 0.01) x 10{sup 6} K in 2009) and the observed flux by 21%. Using a simple model for NS cooling, we show that this temperature decline could indicate that the NS became isothermal sometime between 1965 and 1980, and constrains some combinations of neutrino emission mechanisms and envelope compositions. However, the NS is likely to have become isothermal soon after formation, in which case the temperature history suggests episodes of additional heating or more rapid cooling. Observations over the next few years will allow us to test possible explanations for the temperature evolution.

  3. Direct observation by using Brewster angle microscopy of the diacetylene polimerization in mixed Langmuir film.

    PubMed

    Ariza-Carmona, Luisa; Martín-Romero, María T; Giner-Casares, Juan J; Camacho, Luis

    2015-12-01

    Mixed Langmuir monolayers of 10,12-Pentacosadiynoic acid (DA) and amphiphilic hemicyanine (HSP) have been fabricated at the air-water interface. The mixed monolayer has been proved to be completely homogeneous. The DA molecules are arranged in a single monolayer within the mixed Langmuir monolayer, as opposed to the typical trilayer architecture for the pure DA film. Brewster angle microscopy has been used to reveal the mesoscopic structure of the mixed Langmuir monolayer. Flower shape domains with internal anisotropy due the ordered alignment of hemicyanine groups have been observed. Given the absorption features of the hemicyanine groups at the wavelength used in the BAM experiments, the enhancement of reflection provoked by the absorption process leads to the observed anisotropy. The ordering of such groups is promoted by their strong self-aggregation tendency. Under UV irradiation at the air-water interface, polydiacetylene (PDA) has been fabricated. In spite a significant increase in the domains reflectivity has been observed owing to the modification in the mentioned enhanced reflection, the texture of the domains remains equal. The PDA polymer chain therefore grows in the same direction in which the HSP molecules are aligned. This study is expected to enrich the understanding and design of fabrication of PDA at interfaces. PMID:26263495

  4. Direct Observation of a Majorana Quasiparticle Heat Capacity in 3He

    NASA Astrophysics Data System (ADS)

    Bunkov, Y. M.

    2014-04-01

    The Majorana fermion, which acts as its own antiparticle, was suggested by Majorana in 1937 (Nuovo Cimento 14:171). While no stable particle with Majorana properties has yet been observed, Majorana quasiparticles (QP) may exist at the boundaries of topological insulators. Here we report the preliminary results of direct observation of Majorana QPs by a precise measurements of superfluid 3He heat capacity. The bulk superfluid 3He heat capacity falls exponentially with cooling at the temperatures significantly below the energy gap. Owing to the zero energy gap mode the Majorana heat capacity falls in a power law. The Majorana heat capacity can be larger than bulk one at some temperature, which depends on surface to volume ratio of the experimental cell. Some times ago we developed the Dark matter particles detector (DMD) on a basis of superfluid 3He which is working at the frontier of extremely low temperatures (Winkelmann et al., Nucl. Instrum. Meth. A 559:384-386, 2006). Here we report the observation of zero gap mode of Majorana, follows from the new analyses of DMD heat capacity, published early. We have found a 10 % deviation from the bulk superfluid 3He heat capacity at the temperature of 135 μK. This deviation corresponds well to the theoretical value for Majorana heat capacity at such low temperature. (Note, there were no fitting parameters).

  5. Deformation Twinning in Zirconium: Direct Experimental Observations and Polycrystal Plasticity Predictions

    NASA Astrophysics Data System (ADS)

    Singh, Jaiveer; Mahesh, Sivasambu; Kumar, Gulshan; Pant, Prita; Srivastava, D.; Dey, G. K.; Saibaba, N.; Samajdar, I.

    2015-11-01

    Deformation twinning was directly observed in three commercial zirconium alloy samples during split channel die plane-strain compression. One pair of samples had similar starting texture but different grain size distributions, while another pair had similar grain size distribution but different starting textures. Extension twinning was found to be more sensitive to the starting texture than to the grain size distribution. Also, regions of intense deformation near grain boundaries were observed. A hierarchical binary tree-based polycrystal plasticity model, implementing the Chin-Hosford-Mendorf twinning criterion, captured the experimentally observed twinning grains' lattice orientation distribution, and the twin volume fraction evolution, provided the critical resolved shear stress for extension twinning, τ0 , was assumed much larger than any of the values reported in the literature, based on the viscoplastic self-consistent model. A comparison of the models suggests that τ0 obtained using the present model and the viscoplastic self-consistent models physically correspond to the critical stress required for twin nucleation, and twin growth, respectively.

  6. Direct observation of hole transfer from semiconducting polymer to carbon nanotubes.

    PubMed

    Lan, Fei; Li, Guangyong

    2013-05-01

    Carbon nanotubes have been proven to play significant roles in polymer-based solar cells. However, there is intensive debate on whether carbon nanotube behaves as a donor or acceptor in the semiconducting polymer:carbon nanotube composite. In this paper, we report a direct observation via Kelvin probe force microscopy (KPFM) that single walled carbon nanotubes (SWNTs) behave as hole transporting channels in poly(3-hexylthiophene-2,5-diyl) (P3HT)/SWNT heterojunctions. By comparing the surface potential (SP) change of SWNT in dark and under illumination, we observed that electrons are blocked from SWNT while holes are transferred to SWNT. This observation can be well-explained by our proposed band alignment model of P3HT/SWNT heterojunction. The finding is further verified by hole mobility measurement using the space charge limited current (SCLC) method. SCLC results indicate that the existence of small amount of SWNT (wt 0.5%) promotes device hole mobility to around 15-fold, indicating SWNT act as hole transfer channel. Our finding of hole transporting behavior of SWNT in P3HT/SWNT blend will provide a useful guidance for enhancing the performance of polymer solar cells by carbon nanotubes. PMID:23574570

  7. Direct observation of the two-plasmon-decay common plasma wave using ultraviolet Thomson scattering.

    PubMed

    Follett, R K; Edgell, D H; Henchen, R J; Hu, S X; Katz, J; Michel, D T; Myatt, J F; Shaw, J; Froula, D H

    2015-03-01

    A 263-nm Thomson-scattering beam was used to directly probe two-plasmon-decay (TPD) excited electron plasma waves (EPWs) driven by between two and five 351-nm beams on the OMEGA Laser System. The amplitude of these waves was nearly independent of the number of drive beams at constant overlapped intensity, showing that the observed EPWs are common to the multiple beams. In an experimental configuration where the Thomson-scattering diagnostic was not wave matched to the common TPD EPWs, a broad spectrum of TPD-driven EPWs was observed, indicative of nonlinear effects associated with TPD saturation. Electron plasma waves corresponding to Langmuir decay of TPD EPWs were observed in both Thomson-scattering spectra, suggesting the Langmuir decay instability as a TPD saturation mechanism. Simulated Thomson-scattering spectra from three-dimensional numerical solutions of the extended Zakharov equations of TPD are in excellent agreement with the experimental spectra and verify the presence of the Langmuir decay instability. PMID:25871046

  8. Direct observation of the two-plasmon-decay common plasma wave using ultraviolet Thomson scattering

    SciTech Connect

    Follett, R. K.; Edgell, D. H.; Henchen, R. J.; Hu, S. X.; Katz, J.; Michel, D. T.; Myatt, J. F.; Shaw, J.; Froula, D. H.

    2015-03-26

    A 263-nm Thomson-scattering beam was used to directly probe two-plasmon-decay (TPD) excited electron plasma waves (EPWs) driven by between two and five 351-nm beams on the OMEGA Laser System. The amplitude of these waves was nearly independent of the number of drive beams at constant overlapped intensity, showing that the observed EPWs are common to the multiple beams. In an experimental configuration where the Thomson-scattering diagnostic was not wave matched to the common TPD EPWs, a broad spectrum of TPD-driven EPWs was observed, indicative of nonlinear effects associated with TPD saturation. Electron plasma waves corresponding to Langmuir decay of TPD EPWs were observed in both Thomson-scattering spectra, suggesting the Langmuir decay instability as a TPD saturation mechanism. Simulated Thomson-scattering spectra from three-dimensional numerical solutions of the extended Zakharov equations of TPD are in excellent agreement with the experimental spectra and verify the presence of the Langmuir decay instability.

  9. Chemotaxis study using optical tweezers to observe the strength and directionality of forces of Leishmania amazonensis

    NASA Astrophysics Data System (ADS)

    Pozzo, Liliana d. Y.; Fontes, Adriana; de Thomaz, André A.; Barbosa, Luiz C.; Ayres, Diana C.; Giorgio, Selma; Cesar, Carlos L.

    2006-08-01

    The displacements of a dielectric microspheres trapped by an optical tweezers (OT) can be used as a force transducer for mechanical measurements in life sciences. This system can measure forces on the 50 femto Newtons to 200 pico Newtons range, of the same order of magnitude of a typical forces induced by flagellar motion. The process in which living microorganisms search for food and run away from poison chemicals is known is chemotaxy. Optical tweezers can be used to obtain a better understanding of chemotaxy by observing the force response of the microorganism when placed in a gradient of attractors and or repelling chemicals. This report shows such observations for the protozoa Leishmania amazomenzis, responsible for the leishmaniasis, a serious tropical disease. We used a quadrant detector to monitor the movement of the protozoa for different chemicals gradient. This way we have been able to observe both the force strength and its directionality. The characterization of the chemotaxis of these parasites can help to understand the infection mechanics and improve the diagnosis and the treatments employed for this disease.

  10. Direct nanoscale observations of CO2 sequestration during brucite [Mg(OH)2] dissolution.

    PubMed

    Hövelmann, J; Putnis, C V; Ruiz-Agudo, E; Austrheim, H

    2012-05-01

    The dissolution and carbonation of brucite on (001) cleavage surfaces was investigated in a series of in situ and ex situ atomic force microscopy (AFM) experiments at varying pH (2-12), temperature (23-40 °C), aqueous NaHCO(3) concentration (10(-5)-1 M), and PCO(2) (0-1 atm). Dissolution rates increased with decreasing pH and increasing NaHCO(3) concentration. Simultaneously with dissolution of brucite, the growth of a Mg-carbonate phase (probably dypingite) was directly observed. In NaHCO(3) solutions (pH 7.2-9.3,), precipitation of Mg-carbonates was limited. Enhanced precipitation was, however, observed in acidified NaHCO(3) solutions (pH 5, DIC ≈ 25.5 mM) and in solutions that were equilibrated under a CO(2) atmosphere (pH 4, DIC ≈ 25.2 mM). Nucleation predominantly occurred in areas of high dissolution such as deep step edges suggesting that the carbonation reaction is locally diffusion-transport controlled. More extensive particle growth was also observed after ex situ experiments lasting for several hours. This AFM study contributes to an improved understanding of the mechanism of aqueous brucite carbonation at low temperature and pressure conditions and has implications for carbonation reactions in general. PMID:22500652

  11. Direct observation of aqueous secondary organic aerosol from biomass-burning emissions.

    PubMed

    Gilardoni, Stefania; Massoli, Paola; Paglione, Marco; Giulianelli, Lara; Carbone, Claudio; Rinaldi, Matteo; Decesari, Stefano; Sandrini, Silvia; Costabile, Francesca; Gobbi, Gian Paolo; Pietrogrande, Maria Chiara; Visentin, Marco; Scotto, Fabiana; Fuzzi, Sandro; Facchini, Maria Cristina

    2016-09-01

    The mechanisms leading to the formation of secondary organic aerosol (SOA) are an important subject of ongoing research for both air quality and climate. Recent laboratory experiments suggest that reactions taking place in the atmospheric liquid phase represent a potentially significant source of SOA mass. Here, we report direct ambient observations of SOA mass formation from processing of biomass-burning emissions in the aqueous phase. Aqueous SOA (aqSOA) formation is observed both in fog water and in wet aerosol. The aqSOA from biomass burning contributes to the "brown" carbon (BrC) budget and exhibits light absorption wavelength dependence close to the upper bound of the values observed in laboratory experiments for fresh and processed biomass-burning emissions. We estimate that the aqSOA from residential wood combustion can account for up to 0.1-0.5 Tg of organic aerosol (OA) per y in Europe, equivalent to 4-20% of the total OA emissions. Our findings highlight the importance of aqSOA from anthropogenic emissions on air quality and climate. PMID:27551086

  12. In situ stress estimates from hydraulic fracturing and direct observation of crack orientation

    NASA Astrophysics Data System (ADS)

    Warren, William E.; Smith, Carl W.

    1985-07-01

    Estimates of in situ stress in G Tunnel, Rainier Mesa, Nevada Test Site, have been obtained with hydraulic fracturing techniques. This work represents a nontraditional use of hydraulic fracturing in that it was performed primarily in horizontal boreholes drilled into the formation from access drifts tunneled into the mesa rather than the usual operation performed at depth in vertical boreholes drilled from the surface. Several operations were performed in essentially orthogonal triads of boreholes located at a point. A significant feature of this work is the mineback operation in which the borehole is mined out to reveal the actual fracture. During the hydraulic fracturing operation, colored dye was added to the fracturing fluid which left an easily detectable stain on the fracture surface. Direct observation of the fracture orientation away from the borehole establishes the direction of the minimum compressive in situ stress and the plane of the other two principal stresses. In one borehole, which was not aligned along a principal stress direction, a modified mineback operation revealed a fracture plane that twisted as it grew away from the borehole, aligning itself finally in a plane determined by the in situ stresses. This twisting is consistent with theoretical predictions of borehole stresses under these conditions. This same mineback also showed that fracture of the formation initiated at or under one of the packers, indicating that the packers may have an effet on in situ stress estimates. General observations of over 100 tests performed in G Tunnel show that under the sloping portion of the mesa, fracture planes are not vertical but dip in a direction tending to parallel the mesa slope. Deep into the tunnel and well under the flat part of the mesa, fractures are essentially vertical with strikes approximately N45°E, which substantiates the usual vertical fracture assumption in traditional fracture operations performed at depth in vertical boreholes

  13. Social communication with virtual agents: The effects of body and gaze direction on attention and emotional responding in human observers.

    PubMed

    Marschner, Linda; Pannasch, Sebastian; Schulz, Johannes; Graupner, Sven-Thomas

    2015-08-01

    In social communication, the gaze direction of other persons provides important information to perceive and interpret their emotional response. Previous research investigated the influence of gaze by manipulating mutual eye contact. Therefore, gaze and body direction have been changed as a whole, resulting in only congruent gaze and body directions (averted or directed) of another person. Here, we aimed to disentangle these effects by using short animated sequences of virtual agents posing with either direct or averted body or gaze. Attention allocation by means of eye movements, facial muscle response, and emotional experience to agents of different gender and facial expressions were investigated. Eye movement data revealed longer fixation durations, i.e., a stronger allocation of attention, when gaze and body direction were not congruent with each other or when both were directed towards the observer. This suggests that direct interaction as well as incongruous signals increase the demands of attentional resources in the observer. For the facial muscle response, only the reaction of muscle zygomaticus major revealed an effect of body direction, expressed by stronger activity in response to happy expressions for direct compared to averted gaze when the virtual character's body was directed towards the observer. Finally, body direction also influenced the emotional experience ratings towards happy expressions. While earlier findings suggested that mutual eye contact is the main source for increased emotional responding and attentional allocation, the present results indicate that direction of the virtual agent's body and head also plays a minor but significant role. PMID:26004021

  14. Direct Insights Into Observational Absorption Line Analysis Methods of the Circumgalactic Medium Using Cosmological Simulations

    NASA Astrophysics Data System (ADS)

    Churchill, Christopher W.; Vander Vliet, Jacob R.; Trujillo-Gomez, Sebastian; Kacprzak, Glenn G.; Klypin, Anatoly

    2015-03-01

    We study the circumgalactic medium (CGM) of a z = 0.54 simulated dwarf galaxy using hydroART simulations. We present our analysis methods, which emulate observations, including objective absorption line detection, apparent optical depth (AOD) measurements, Voigt profile (VP) decomposition, and ionization modeling. By comparing the inferred CGM gas properties from the absorption lines directly to the gas selected by low ionization H i and Mg ii, and by higher ionization C iv and O vi absorption, we examine how well observational analysis methods recover the “true” properties of CGM gas. In this dwarf galaxy, low ionization gas arises in sub-kiloparsec “cloud” structures, but high ionization gas arises in multiple extended structures spread over 100 kpc; due to complex velocity fields, highly separated structures give rise to absorption at similar velocities. We show that AOD and VP analysis fails to accurately characterize the spatial, kinematic, and thermal conditions of high ionization gas. We find that H i absorption selected gas and O vi absorption gas arise in totally distinct physical gas structures, calling into question current observational techniques employed to infer metallicities and the total mass of “warm-hot” CGM gas. We present a method to determine whether C iv and O vi absorbing gas is photo or collisionally ionized and whether the assumption of ionization equilibrium is sound. As we discuss, these and additional findings have strong implications for how accurately currently employed observational absorption line methods recover the true gas properties, and ultimately, our ability to understand the CGM and its role in galaxy evolution.

  15. Effects of action observation on corticospinal excitability: Muscle specificity, direction, and timing of the mirror response.

    PubMed

    Naish, Katherine R; Houston-Price, Carmel; Bremner, Andrew J; Holmes, Nicholas P

    2014-11-01

    Many human behaviours and pathologies have been attributed to the putative mirror neuron system, a neural system that is active during both the observation and execution of actions. While there are now a very large number of papers on the mirror neuron system, variations in the methods and analyses employed by researchers mean that the basic characteristics of the mirror response are not clear. This review focuses on three important aspects of the mirror response, as measured by modulations in corticospinal excitability: (1) muscle specificity; (2) direction; and (3) timing of modulation. We focus mainly on electromyographic (EMG) data gathered following single-pulse transcranial magnetic stimulation (TMS), because this method provides precise information regarding these three aspects of the response. Data from paired-pulse TMS paradigms and peripheral nerve stimulation (PNS) are also considered when we discuss the possible mechanisms underlying the mirror response. In this systematic review of the literature, we examine the findings of 85 TMS and PNS studies of the human mirror response, and consider the limitations and advantages of the different methodological approaches these have adopted in relation to discrepancies between their findings. We conclude by proposing a testable model of how action observation modulates corticospinal excitability in humans. Specifically, we propose that action observation elicits an early, non-specific facilitation of corticospinal excitability (at around 90ms from action onset), followed by a later modulation of activity specific to the muscles involved in the observed action (from around 200ms). Testing this model will greatly advance our understanding of the mirror mechanism and provide a more stable grounding on which to base inferences about its role in human behaviour. PMID:25281883

  16. Direct observations of American eels migrating across the continental shelf to the Sargasso Sea.

    PubMed

    Béguer-Pon, Mélanie; Castonguay, Martin; Shan, Shiliang; Benchetrit, José; Dodson, Julian J

    2015-01-01

    Since inferring spawning areas from larval distributions in the Sargasso Sea a century ago, the oceanic migration of adult American eels has remained a mystery. No adult eel has ever been observed migrating in the open ocean or in the spawning area. Here, we track movements of maturing eels equipped with pop-up satellite archival tags from the Scotian Shelf (Canada) into the open ocean, with one individual migrating 2,400 km to the northern limit of the spawning site in the Sargasso Sea. The reconstructed routes suggest a migration in two phases: one over the continental shelf and along its edge in shallow waters; the second in deeper waters straight south towards the spawning area. This study is the first direct evidence of adult Anguilla migrating to the Sargasso Sea and represents an important step forward in the understanding of routes and migratory cues. PMID:26505325

  17. Direct Observation of Ion Distributions near Electrodes in Ionic Polymer Actuators Containing Ionic Liquids

    PubMed Central

    Liu, Yang; Lu, Caiyan; Twigg, Stephen; Ghaffari, Mehdi; Lin, Junhong; Winograd, Nicholas; Zhang, Q. M.

    2013-01-01

    The recent boom of energy storage and conversion devices, exploiting ionic liquids (ILs) to enhance the performance, requires an in-depth understanding of this new class of electrolytes in device operation conditions. One central question critical to device performance is how the mobile ions accumulate near charged electrodes. Here, we present the excess ion depth profiles of ILs in ionomer membrane actuators (Aquivion/1-butyl-2,3-dimethylimidazolium chloride (BMMI-Cl), 27 μm thick), characterized directly by Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) at liquid nitrogen temperature. Experimental results reveal that for the IL studied, cations and anions are accumulated at both electrodes. The large difference in the total volume occupied by the excess ions between the two electrodes cause the observed large bending actuation of the actuator. Hence we demonstrate that ToF-SIMS experiment provides great insights on the physics nature of ionic devices. PMID:23512124

  18. Direct Observation of Sulfur Radicals as Reaction Media in lithium Sulfur Batteries

    SciTech Connect

    Wang, Qiang; Zheng, Jianming; Walter, Eric D.; Pan, Huilin; Lu, Dongping; Zuo, Pengjian; Chen, Honghao; Deng, Zhiqun; Liaw, Bor Yann; Yu, Xiqian; Yang, Xiaoning; Zhang, Jiguang; Liu, Jun; Xiao, Jie

    2014-12-09

    Lithium sulfur (Li-S) battery has been regaining tremendous interest in recent years because of its attractive attributes such as high gravimetric energy, low cost and environmental benignity. However, it is still not conclusively known how polysulfide ring/chain participates in the whole cycling and whether the discharge and charge process follow the same pathway. Herein, we demonstrate the direct observation of sulfur radicals by using in situ electron paramagnetic resonance (EPR) technique. Based on the concentration changes of sulfur radicals at different potentials, it is revealed that the chemical and electrochemical reactions in Li-S cell are driven each other to proceed through sulfur radicals, leading to two completely different reaction pathways during discharge and charge. The proposed radical mechanism may provide new insights to investigate the interactions between sulfur species and the electrolyte, inspiring novel strategies to develop Li-S battery technology.

  19. Direct Observation of Sulfur Radicals as Reaction Media in Lithium Sulfur Batteries

    DOE PAGESBeta

    Wang, Qiang; Zheng, Jianming; Walter, Eric; Pan, Huilin; Lv, Dongping; Zuo, Pengjian; Chen, Honghao; Deng, Z. D.; Liaw, Bor Y.; Yu, Xiqian; et al

    2015-01-09

    Lithium sulfur (Li-S) battery has been regaining tremendous interest in recent years because of its attractive attributes such as high gravimetric energy, low cost and environmental benignity. However, it is still not conclusively known how polysulfide ring/chain participates in the whole cycling and whether the discharge and charge processes follow the same pathway. Herein, we demonstrate the direct observation of sulfur radicals by using in situ electron paramagnetic resonance (EPR) technique. Based on the concentration changes of sulfur radicals at different potentials and the electrochemical characteristics of the cell, it is revealed that the chemical and electrochemical reactions in Li-Smore » cell are driving each other to proceed through sulfur radicals, leading to two completely different reaction pathways during discharge and charge. The proposed radical mechanism may provide new perspectives to investigate the interactions between sulfur species and the electrolyte, inspiring novel strategies to develop Li-S battery technology.« less

  20. Copernicus observations of neutral hydrogen and deuterium in the direction of HR 1099

    NASA Technical Reports Server (NTRS)

    Anderson, R. C.; Weiler, E. J.

    1979-01-01

    High-resolution Copernicus U1 scans were obtained of the bright RS CVn binary HR 1099 (d = 33 pc, galactic longitude = 185 deg, galactic latitude = -41 deg) in October 1977. Strong emission at L-alpha was detected. The interstellar L-alpha absorption features of H I and D I were also observed. Analyses of these interstellar lines are reported in this paper. The average density of neutral H in the direction of this system is found to be 0.006-0.012 per cu cm, which, because the local density is higher, requires a marked inhomogeneity along this line of sight. This result, when combined with other recent studies of the local interstellar medium, suggests the sun is located within a moderate-density H I region.

  1. A novel approach to directly observed therapy for tuberculosis in an HIV-endemic area.

    PubMed Central

    Desvarieux, M; Hyppolite, P R; Johnson, W D; Pape, J W

    2001-01-01

    OBJECTIVES: This study evaluated a novel approach to the delivery of directly observed therapy (DOT) for tuberculosis in Haiti. METHODS: A total of 194 patients (152 HIV seropositive, 42 HIV seronegative) received daily unsupervised triple-drug therapy for 4 to 8 weeks, followed by twice-weekly 2-drug therapy for the remainder of the 6-month period. DOT was deferred until initiation of the twice-weekly phase. RESULTS: A total of 169 of 194 patients (87.1%) completed the 6-month course. The program of deferred DOT had an effectiveness of 85%. Overall cost was reduced by approximately 40%. CONCLUSIONS: Flexible approaches to DOT, integrating behavioral knowledge, cost considerations, and practicality may improve completion rates and program effectiveness. PMID:11189809

  2. Direct observations of American eels migrating across the continental shelf to the Sargasso Sea

    PubMed Central

    Béguer-Pon, Mélanie; Castonguay, Martin; Shan, Shiliang; Benchetrit, José; Dodson, Julian J.

    2015-01-01

    Since inferring spawning areas from larval distributions in the Sargasso Sea a century ago, the oceanic migration of adult American eels has remained a mystery. No adult eel has ever been observed migrating in the open ocean or in the spawning area. Here, we track movements of maturing eels equipped with pop-up satellite archival tags from the Scotian Shelf (Canada) into the open ocean, with one individual migrating 2,400 km to the northern limit of the spawning site in the Sargasso Sea. The reconstructed routes suggest a migration in two phases: one over the continental shelf and along its edge in shallow waters; the second in deeper waters straight south towards the spawning area. This study is the first direct evidence of adult Anguilla migrating to the Sargasso Sea and represents an important step forward in the understanding of routes and migratory cues. PMID:26505325

  3. Copernicus observations of interstellar matter in the direction of HR 1099

    NASA Technical Reports Server (NTRS)

    Anderson, R. C.; Weiler, E. J.

    1978-01-01

    Results are reported for high-resolution Copernicus U1 and V2 scans of the bright RS CVn spectroscopic binary HR 1099. The observations reveal strong UV emission lines at L-alpha and Mg II h and k from the stars as well as interstellar H I and D I L-alpha absorption lines and interstellar Mg II h and k absorption in the direction of the binary system. Column densities, bulk velocities, and temperatures are derived for the interstellar features. A comparison of the derived number density of interstellar H I with data for the nearby star Epsilon Eri indicates an inhomogeneous distribution of interstellar hydrogen along the line of sight. The range of values obtained for the D/H ratio is shown to be consistent with results of other studies. A depletion factor of at least 5 with respect to the solar abundance is estimated for the interstellar magnesium.

  4. Direct observation of collective modes coupled to molecular orbital-driven charge transfer

    NASA Astrophysics Data System (ADS)

    Ishikawa, Tadahiko; Hayes, Stuart A.; Keskin, Sercan; Corthey, Gastón; Hada, Masaki; Pichugin, Kostyantyn; Marx, Alexander; Hirscht, Julian; Shionuma, Kenta; Onda, Ken; Okimoto, Yoichi; Koshihara, Shin-ya; Yamamoto, Takashi; Cui, Hengbo; Nomura, Mitsushiro; Oshima, Yugo; Abdel-Jawad, Majed; Kato, Reizo; Miller, R. J. Dwayne

    2015-12-01

    Correlated electron systems can undergo ultrafast photoinduced phase transitions involving concerted transformations of electronic and lattice structure. Understanding these phenomena requires identifying the key structural modes that couple to the electronic states. We report the ultrafast photoresponse of the molecular crystal Me4P[Pt(dmit)2]2, which exhibits a photoinduced charge transfer similar to transitions between thermally accessible states, and demonstrate how femtosecond electron diffraction can be applied to directly observe the associated molecular motions. Even for such a complex system, the key large-amplitude modes can be identified by eye and involve a dimer expansion and a librational mode. The dynamics are consistent with the time-resolved optical study, revealing how the electronic, molecular, and lattice structures together facilitate ultrafast switching of the state.

  5. Direct Observation of a Gate Tunable Band Gap in Electrical Transport in ABC-Trilayer Graphene.

    PubMed

    Khodkov, Tymofiy; Khrapach, Ivan; Craciun, Monica Felicia; Russo, Saverio

    2015-07-01

    Few layer graphene systems such as Bernal stacked bilayer and rhombohedral (ABC-) stacked trilayer offer the unique possibility to open an electric field tunable energy gap. To date, this energy gap has been experimentally confirmed in optical spectroscopy. Here we report the first direct observation of the electric field tunable energy gap in electronic transport experiments on doubly gated suspended ABC-trilayer graphene. From a systematic study of the nonlinearities in current versus voltage characteristics and the temperature dependence of the conductivity, we demonstrate that thermally activated transport over the energy-gap dominates the electrical response of these transistors. The estimated values for energy gap from the temperature dependence and from the current voltage characteristics follow the theoretically expected electric field dependence with critical exponent 3/2. These experiments indicate that high quality few-layer graphene are suitable candidates for exploring novel tunable terahertz light sources and detectors. PMID:26079989

  6. Direct observation of resistive heating at graphene wrinkles and grain boundaries

    SciTech Connect

    Grosse, Kyle L.; Dorgan, Vincent E.; Estrada, David; Wood, Joshua D.; Vlassiouk, Ivan V; Eres, Gyula; Lyding, Joseph W; King, William P.; Pop, Eric

    2014-01-01

    We directly measure the nanometer-scale temperature rise at wrinkles and grain boundaries (GBs) in functioning graphene devices by scanning Joule expansion microscopy with 50 nm spatial and 0.2K temperature resolution. We observe a small temperature increase at select wrinkles and a large (100 K) temperature increase at GBs between coalesced hexagonal grains. Comparisons of measurements with device simulations estimate the GB resistivity (8 150 X lm) among the lowest reported for graphene grown by chemical vapor deposition. An analytical model is developed, showing that GBs can experience highly localized resistive heating and temperature rise, most likely affecting the reliability of graphene devices. Our studies provide an unprecedented view of thermal effects surrounding nanoscale defects in nanomaterials such as graphene.

  7. Direct observation of finite size effects in chains of antiferromagnetically coupled spins.

    PubMed

    Guidi, T; Gillon, B; Mason, S A; Garlatti, E; Carretta, S; Santini, P; Stunault, A; Caciuffo, R; van Slageren, J; Klemke, B; Cousson, A; Timco, G A; Winpenny, R E P

    2015-01-01

    Finite spin chains made of few magnetic ions are the ultimate-size structures that can be engineered to perform spin manipulations for quantum information devices. Their spin structure is expected to show finite size effects and its knowledge is of great importance both for fundamental physics and applications. Until now a direct and quantitative measurement of the spatial distribution of the magnetization of such small structures has not been achieved even with the most advanced microscopic techniques. Here we present measurements of the spin density distribution of a finite chain of eight spin-3/2 ions using polarized neutron diffraction. The data reveal edge effects that are a consequence of the finite size and of the parity of the chain and indicate a noncollinear spin arrangement. This is in contrast with the uniform spin distribution observed in the parent closed chain and the collinear arrangement in odd-open chains. PMID:25952539

  8. Direct observation of resistive heating at graphene wrinkles and grain boundaries

    NASA Astrophysics Data System (ADS)

    Grosse, Kyle L.; Dorgan, Vincent E.; Estrada, David; Wood, Joshua D.; Vlassiouk, Ivan; Eres, Gyula; Lyding, Joseph W.; King, William P.; Pop, Eric

    2014-10-01

    We directly measure the nanometer-scale temperature rise at wrinkles and grain boundaries (GBs) in functioning graphene devices by scanning Joule expansion microscopy with ˜50 nm spatial and ˜0.2 K temperature resolution. We observe a small temperature increase at select wrinkles and a large (˜100 K) temperature increase at GBs between coalesced hexagonal grains. Comparisons of measurements with device simulations estimate the GB resistivity (8-150 Ω μm) among the lowest reported for graphene grown by chemical vapor deposition. An analytical model is developed, showing that GBs can experience highly localized resistive heating and temperature rise, most likely affecting the reliability of graphene devices. Our studies provide an unprecedented view of thermal effects surrounding nanoscale defects in nanomaterials such as graphene.

  9. Direct observation of oriented molecular adsorption at step edges: a cryogenic scanning tunneling microscopy study

    NASA Astrophysics Data System (ADS)

    Frank, E. R.; Chen, X. X.; Hamers, R. J.

    1995-07-01

    A cryogenic scanning tunneling microscope has been used to investigate the adsorption of thiophene, 2,5-dimethylthiophene, and 2,2'-bithiophene on the Ag(111) surface at 120 K. STM images reveal that all three molecules preferentially bond at step edges. Images of 2,2'-bithiophene and 2,5-dimethylthiophene at the step edge show them to be elongated, while thiophene molecules appear nearly circular. The observed elongation for 2,2'-bithiophene and 2,5-dimethylthiophene is attributed to geometric contrast reflecting the intrinsic shape of these molecules. All molecules of a given chemical identity appear to be oriented in the same direction with respect to the step edge, demonstrating that the interactions between the molecules and the step edge are sufficiently strong and sufficiently local to hold the molecules in specific rotational configurations at the step edge.

  10. Direct X-ray observation of trapped CO₂ in a predesigned porphyrinic metal-organic framework.

    PubMed

    Johnson, Jacob A; Chen, Shuang; Reeson, Tyler C; Chen, Yu-Sheng; Zeng, Xiao Cheng; Zhang, Jian

    2014-06-16

    Metal-organic frameworks (MOFs) are emerging microporous materials that are promising for capture and sequestration of CO2 due to their tailorable binding properties. However, it remains a grand challenge to pre-design a MOF with a precise, multivalent binding environment at the molecular level to enhance CO2 capture. Here, we report the design, synthesis, and direct X-ray crystallographic observation of a porphyrinic MOF, UNLPF-2, that contains CO2-specific single molecular traps. Assembled from an octatopic porphyrin ligand with [Co2(COO)4] paddlewheel clusters, UNLPF-2 provides an appropriate distance between the coordinatively unsaturated metal centers, which serve as the ideal binding sites for in situ generated CO2. The coordination of Co(II) in the porphyrin macrocycle is crucial and responsible for the formation of the required topology to trap CO2. By repeatedly releasing and recapturing CO2, UNLPL-2 also exhibits recyclability. PMID:24861568

  11. Direct Observation of Sulfur Radicals as Reaction Media in Lithium Sulfur Batteries

    SciTech Connect

    Wang, Qiang; Zheng, Jianming; Walter, Eric; Pan, Huilin; Lv, Dongping; Zuo, Pengjian; Chen, Honghao; Deng, Z. D.; Liaw, Bor Y.; Yu, Xiqian; Yang, Xiao-Qing; Zhang, Ji-Guang; Liu, Jun; Xiao, Jie

    2015-01-09

    Lithium sulfur (Li-S) battery has been regaining tremendous interest in recent years because of its attractive attributes such as high gravimetric energy, low cost and environmental benignity. However, it is still not conclusively known how polysulfide ring/chain participates in the whole cycling and whether the discharge and charge processes follow the same pathway. Herein, we demonstrate the direct observation of sulfur radicals by using in situ electron paramagnetic resonance (EPR) technique. Based on the concentration changes of sulfur radicals at different potentials and the electrochemical characteristics of the cell, it is revealed that the chemical and electrochemical reactions in Li-S cell are driving each other to proceed through sulfur radicals, leading to two completely different reaction pathways during discharge and charge. The proposed radical mechanism may provide new perspectives to investigate the interactions between sulfur species and the electrolyte, inspiring novel strategies to develop Li-S battery technology.

  12. Direct Observation of Transient Surface Species during Ge Nanowire Growth and Their Influence on Growth Stability.

    PubMed

    Sivaram, Saujan V; Shin, Naechul; Chou, Li-Wei; Filler, Michael A

    2015-08-12

    Surface adsorbates are well-established choreographers of material synthesis, but the presence and impact of these short-lived species on semiconductor nanowire growth are largely unknown. Here, we use infrared spectroscopy to directly observe surface adsorbates, hydrogen atoms and methyl groups, chemisorbed to the nanowire sidewall and show they are essential for the stable growth of Ge nanowires via the vapor-liquid-solid mechanism. We quantitatively determine the surface coverage of hydrogen atoms during nanowire growth by comparing ν(Ge-H) absorption bands from operando measurements (i.e., during growth) to those after saturating the nanowire sidewall with hydrogen atoms. This method provides sub-monolayer chemical information at relevant reaction conditions while accounting for the heterogeneity of sidewall surface sites and their evolution during elongation. Our findings demonstrate that changes to surface bonding are critical to understand Ge nanowire synthesis and provide new guidelines for rationally selecting catalysts, forming heterostructures, and controlling dopant profiles. PMID:26147949

  13. Direct Observation of Morphological Tranformation from Twisted Ribbons into Helical Ribbons

    SciTech Connect

    Pashuck, E.Thomas; Stupp, Samuel I.

    2010-07-01

    We report on the direct observation of a nanostructural transformation from a twisted ribbon to a helical ribbon in supramolecular assemblies of peptide amphiphiles. Using cryogenic electron microscopy, a peptide amphiphile molecule containing aromatic residues was found to first assemble into short twisted ribbons in the time range of seconds, which then elongate in the time scale of minutes, and finally transform into helical ribbons over the course of weeks. By synthesizing an analogous molecule without the aromatic side groups, it was found that a cylindrical nanostructure is formed that does not undergo any transitions during the same time period. The study of metastable states in peptide aggregation can contribute to our understanding of amyloid-related diseases, such as Alzheimer's disease.

  14. Direct observation of magnetization dynamics generated by nanocontact spin-torque vortex oscillators

    NASA Astrophysics Data System (ADS)

    Keatley, P. S.; Sani, S. R.; Hrkac, G.; Mohseni, S. M.; Dürrenfeld, P.; Loughran, T. H. J.; Åkerman, J.; Hicken, R. J.

    2016-08-01

    Time-resolved scanning Kerr microscopy has been used to directly image the magnetization dynamics of nanocontact (NC) spin-torque vortex oscillators (STVOs) when phase locked to an injected microwave (rf) current. The Kerr images reveal free-layer magnetization dynamics that extend outside the NC footprint, where they cannot be detected electrically, but which are crucial to phase-lock STVOs that share common magnetic layers. For a single NC, dynamics were observed not only when the STVO frequency was fully locked to that of the rf current, but also for a partially locked state characterized by periodic changes in the core trajectory at the rf frequency. For a pair of NCs, we explore the correlation between the spatial character of injection-locked dynamics and the free-running spectra. Insight gained from these images may improve understanding of the conditions required for mutual phase locking of multiple STVOs, and hence enhanced microwave power emission.

  15. Direct observation of half-metallicity in the Heusler compound Co2MnSi

    PubMed Central

    Jourdan, M.; Minár, J.; Braun, J.; Kronenberg, A.; Chadov, S.; Balke, B.; Gloskovskii, A.; Kolbe, M.; Elmers, H.J.; Schönhense, G.; Ebert, H.; Felser, C.; Kläui, M.

    2014-01-01

    Ferromagnetic thin films of Heusler compounds are highly relevant for spintronic applications owing to their predicted half-metallicity, that is, 100% spin polarization at the Fermi energy. However, experimental evidence for this property is scarce. Here we investigate epitaxial thin films of the compound Co2MnSi in situ by ultraviolet-photoemission spectroscopy, taking advantage of a novel multi-channel spin filter. By this surface sensitive method, an exceptionally large spin polarization of () % at room temperature is observed directly. As a more bulk sensitive method, additional ex situ spin-integrated high energy X-ray photoemission spectroscopy experiments are performed. All experimental results are compared with advanced band structure and photoemission calculations which include surface effects. Excellent agreement is obtained with calculations, which show a highly spin polarized bulk-like surface resonance ingrained in a half metallic bulk band structure. PMID:24875774

  16. Direct observation of the hyperfine transition of ground-state positronium.

    PubMed

    Yamazaki, T; Miyazaki, A; Suehara, T; Namba, T; Asai, S; Kobayashi, T; Saito, H; Ogawa, I; Idehara, T; Sabchevski, S

    2012-06-22

    We report the first direct measurement of the hyperfine transition of the ground state positronium. The hyperfine structure between ortho-positronium and para-positronium is about 203 GHz. We develop a new optical system to accumulate about 10 kW power using a gyrotron, a mode converter, and a Fabry-Pérot cavity. The hyperfine transition has been observed with a significance of 5.4 standard deviations. The transition probability is measured to be A = 3.1(-1.2)(+1.6) × 10(-8) s(-1) for the first time, which is in good agreement with the theoretical value of 3.37 × 10(-8) s(-1). PMID:23004598

  17. Direct observation of individual Barkhausen avalanches in nucleation-mediated magnetization reversal processes

    NASA Astrophysics Data System (ADS)

    Im, Mi-Young; Fischer, Peter; Kim, Dong-Hyun; Shin, Sung-Chul

    2009-11-01

    We report the scaling behavior of Barkhausen avalanches [H. Barkhausen, Z. Phys. 20, 401 (1919).] along the hysteresis loop of a CoCrPt alloy film with perpendicular magnetic anisotropy for every field step of 200 Oe. Individual Barkhausen avalanches are directly observed via soft x-ray microscopy with a spatial resolution of 15 nm. The Barkhausen avalanches exhibit a power-law scaling behavior, where the scaling exponent of the power-law distribution drastically changes from 1±0.04 to 1.47±0.03 as the applied field approaches the coercivity of the CoCrPt film. We infer that this is due to the coupling of adjacent domains.

  18. Direct observations of gas-hydrate formation in natural porous media on the micro-scale

    NASA Astrophysics Data System (ADS)

    Chaouachi, M.; Sell, K.; Falenty, A.; Enzmann, F.; Kersten, M.; Pinzer, B.; Saenger, E. H.; Kuhs, W. F.

    2013-12-01

    Gas hydrates (GH) are crystalline, inclusion compounds consisting of hydrogen-bonded water network encaging small gas molecules such as methane, ethane, CO2, etc (Sloan and Koh 2008). Natural gas hydrates are found worldwide in marine sediments and permafrost regions as a result of a reaction of biogenic or thermogenic gas with water under elevated pressure. Although a large amount of research on GH has been carried out over the years, the micro-structural aspects of GH growth, and in particular the contacts with the sedimentary matrix as well as the details of the distribution remain largely speculative. The present study was undertaken to shed light onto the well-established but not fully understood seismic anomalies, in particular the unusual attenuation of seismic waves in GH-bearing sediments, which may well be linked to micro-structural features. Observations of in-situ GH growth have been performed in a custom-build pressure cell (operating pressures up to several bar) mounted at the TOMCAT beam line of SLS/ PSI. In order to provide sufficient absorption contrast between phases and reduce pressure requirements for the cell we have used Xe instead of CH4. To the best of our knowledge this represents the first direct observation of GH growth in natural porous media with sub-micron spatial resolution and gives insight into the nucleation location and growth process of GH. The progress of the formation of sI Xe-hydrate in natural quartz sand was observed with a time-resolution of several minutes; the runs were conducted with an excess of a free-gas phase and show that the nucleation starts at the gas-water interface. Initially, a GH film is formed at this interface with a typical thickness of several μm; this film may well be permeable to gas as suggested in the past - which would explain the rapid transport of gas molecules for further conversion of water to hydrate, completed in less than 20 min. Clearly, initially the growth is directed mainly into the

  19. Direct impact of El Niño on East Asian summer precipitation in the observation

    NASA Astrophysics Data System (ADS)

    Wen, Na; Liu, Zhengyu; Liu, Yinghui

    2015-04-01

    This study investigates the direct impact of El Niño in the tropical Pacific on the East Asian summer precipitation . Generalized equilibrium feedback assessment is used to isolate this direct impact from interrelated ocean forcings in the observations. Results indicate that the El Niño can directly influence the summer precipitation in East China significantly. The precipitation response presents a tri-pole pattern, with anomalous wet in the Southeast and the Northeast China and anomalous dry in the northern China. Amplitude of the precipitation response is around 20 % of the total precipitation for 1 °C El Niño forcing in most area of the East China, with maximal response up to 30 %/°C. The tri-pole precipitation response is attributed to an El Niño-induced cyclonic anomaly in the Northeast Asia and an anticyclonic anomaly in the western North Pacific (WNP). The anomalous cyclone deepens the East Asian trough southwestward, favoring an air ascending in front of the trough in the Southeast and the Northeast China, and an air descending at the rear of the trough in the northern China. The anomalous anticyclone in the WNP strengthens the WNP Subtropical High northeastward, providing adequate water vapor to the Southeast China. The anomalous cyclone and anomalous anticyclone work together to generate the tri-pole precipitation response pattern in the East China. Further investigation suggests that these two key anomalous circulations are part of a northwestward propagating Rossby wave, which is excited by the El Niño warming-induced convection over the subtropical west-central Pacific. This study can serve as a reference for the prediction of the East Asian precipitation in both the developing and decaying summer of El Niño.

  20. Direct observation of intermediate states during the stepping motion of kinesin-1.

    PubMed

    Isojima, Hiroshi; Iino, Ryota; Niitani, Yamato; Noji, Hiroyuki; Tomishige, Michio

    2016-04-01

    The dimeric motor protein kinesin-1 walks along microtubules by alternatingly hydrolyzing ATP and moving two motor domains ('heads'). Nanometer-precision single-molecule studies demonstrated that kinesin takes regular 8-nm steps upon hydrolysis of each ATP; however, the intermediate states between steps have not been directly visualized. Here, we employed high-temporal resolution dark-field microscopy to directly visualize the binding and unbinding of kinesin heads to or from microtubules during processive movement. Our observations revealed that upon unbinding from microtubules, the labeled heads were displaced rightward and underwent tethered diffusive movement. Structural and kinetic analyses of wild-type and mutant kinesins with altered neck linker lengths provided evidence that rebinding of the unbound head to the rear-binding site is prohibited by a tension increase in the neck linker and that ATP hydrolysis by the leading head is suppressed when both heads are bound to the microtubule, thereby explaining how the two heads coordinate to move in a hand-over-hand manner. PMID:26928936

  1. Direct single-molecule observation of calcium-dependent misfolding in human neuronal calcium sensor-1.

    PubMed

    Heidarsson, Pétur O; Naqvi, Mohsin M; Otazo, Mariela R; Mossa, Alessandro; Kragelund, Birthe B; Cecconi, Ciro

    2014-09-01

    Neurodegenerative disorders are strongly linked to protein misfolding, and crucial to their explication is a detailed understanding of the underlying structural rearrangements and pathways that govern the formation of misfolded states. Here we use single-molecule optical tweezers to monitor misfolding reactions of the human neuronal calcium sensor-1, a multispecific EF-hand protein involved in neurotransmitter release and linked to severe neurological diseases. We directly observed two misfolding trajectories leading to distinct kinetically trapped misfolded conformations. Both trajectories originate from an on-pathway intermediate state and compete with native folding in a calcium-dependent manner. The relative probability of the different trajectories could be affected by modulating the relaxation rate of applied force, demonstrating an unprecedented real-time control over the free-energy landscape of a protein. Constant-force experiments in combination with hidden Markov analysis revealed the free-energy landscape of the misfolding transitions under both physiological and pathological calcium concentrations. Remarkably for a calcium sensor, we found that higher calcium concentrations increased the lifetimes of the misfolded conformations, slowing productive folding to the native state. We propose a rugged, multidimensional energy landscape for neuronal calcium sensor-1 and speculate on a direct link between protein misfolding and calcium dysregulation that could play a role in neurodegeneration. PMID:25157171

  2. Direct Observation of Virtual Electrode Formation Through a Novel Electrolyte-to-Electrode Transition

    NASA Astrophysics Data System (ADS)

    Siegel, David; El Gabaly, Farid; Bartelt, Norman; McCarty, Kevin

    2014-03-01

    Novel electrochemical solutions to problems in energy storage and transportation can drive renewable energy to become an economically viable alternative to fossil fuels. In many electrochemical systems, the behavior of a device can be fundamentally limited by the surface area of a triple phase boundary, the boundary region where a gas-phase species, electrode, and electrolyte coincide. When the electrode is an ionic insulator the triple phase boundary is typically a one-dimensional boundary with nanometer-scale thickness: ions cannot transport through the electrode, while electrons cannot be transported through the electrolyte. Here we present direct experimental measurements of a novel electrolyte-to-electrode transition with photoemission electron microscopy, and observe that the surface of an ionically conductive, electronically insulative solid oxide electrolyte undergoes a transition into a mixed electron-ion conductor in the vicinity of a metal electrode. Our direct experimental measurements allow us to characterize this system and address the mechanisms of ionic reactions and transport through comparisons with theoretical modeling to provide us with a physical picture of the processes involved. Our results provide insight into one of the mechanisms of ion transport in an electrochemical cell that may be generalizable to other systems.

  3. Direct observation of Landau levels of massless and massive Dirac fermions.

    NASA Astrophysics Data System (ADS)

    Li, Guohong; Andrei, Eva Y.

    2007-03-01

    The low energy quasiparticles in graphene resemble massless relativistic particles (Dirac fermions): they have a linear energy-momentum spectrum and possess internal degrees of freedom arising from the crystal symmetry of the honeycomb lattice, leading to particle anti-particle pairs. When two layers of graphene are coupled together, the quasiparticles acquire a band-mass and are transformed into chiral massive fermions. Both types of quasiparticles develop unusual Landau levels in a magnetic field which profoundly alter the magneto-transport properties. We will report the direct observation of the Landau levels associated with these quasiparticles using a low temperature STM in fields up to 12 Tesla. The experiments reveal two independent sequences of Landau levels that provide evidence for the coexistence of massless and massive Dirac fermions. The energy levels of the former exhibit a square-root dependence on both field and Landau-level index n, while the latter are linear in field with a Landau-level index dependence of [n(n+1)]^1/2. Both sequences exhibit a zero energy Landau level which is a unique and direct consequence of the quantum-relativistic nature of these quasiparticles.

  4. Direct radiative feedback due to biogenic secondary organic aerosol estimated from boreal forest site observations

    NASA Astrophysics Data System (ADS)

    Lihavainen, Heikki; Asmi, Eija; Aaltonen, Veijo; Makkonen, Ulla; Kerminen, Veli-Matti

    2015-10-01

    We used more than five years of continuous aerosol measurements to estimate the direct radiative feedback parameter associated with the formation of biogenic secondary organic aerosol (BSOA) at a remote continental site at the edge of the boreal forest zone in Northern Finland. Our upper-limit estimate for this feedback parameter during the summer period (ambient temperatures above 10 °C) was -97 ± 66 mW m-2 K-1 (mean ± STD) when using measurements of the aerosol optical depth (fAOD) and -63 ± 40 mW m-2 K-1 when using measurements of the ‘dry’ aerosol scattering coefficient at the ground level (fσ). Here STD represents the variability in f caused by the observed variability in the quantities used to derive the value of f. Compared with our measurement site, the magnitude of the direct radiative feedback associated with BSOA is expected to be larger in warmer continental regions with more abundant biogenic emissions, and even larger in regions where biogenic emissions are mixed with anthropogenic pollution.

  5. Direct Observation of α-Synuclein Amyloid Aggregates in Endocytic Vesicles of Neuroblastoma Cells.

    PubMed

    Apetri, Mihaela M; Harkes, Rolf; Subramaniam, Vinod; Canters, Gerard W; Schmidt, Thomas; Aartsma, Thijs J

    2016-01-01

    Aggregation of α-synuclein has been linked to both familial and sporadic Parkinson's disease. Recent studies suggest that α-synuclein aggregates may spread from cell to cell and raise questions about the propagation of neurodegeneration. While continuous progress has been made characterizing α-synuclein aggregates in vitro, there is a lack of information regarding the structure of these species inside the cells. Here, we use confocal fluorescence microscopy in combination with direct stochastic optical reconstruction microscopy, dSTORM, to investigate α-synuclein uptake when added exogenously to SH-SY5Y neuroblastoma cells, and to probe in situ morphological features of α-synuclein aggregates with near nanometer resolution. We demonstrate that using dSTORM, it is possible to follow noninvasively the uptake of extracellularly added α-synuclein aggregates by the cells. Once the aggregates are internalized, they move through the endosomal pathway and accumulate in lysosomes to be degraded. Our dSTORM data show that α-synuclein aggregates remain assembled after internalization and they are shortened as they move through the endosomal pathway. No further aggregation was observed inside the lysosomes as speculated in the literature, nor in the cytoplasm of the cells. Our study thus highlights the super-resolution capability of dSTORM to follow directly the endocytotic uptake of extracellularly added amyloid aggregates and to probe the morphology of in situ protein aggregates even when they accumulate in small vesicular compartments. PMID:27105068

  6. Low Frequency Radio Observations of Bi-directional Electron Beams in the Solar Corona

    NASA Astrophysics Data System (ADS)

    Carley, E.; Reid, H.; Vilmer, N.; Gallagher, P.

    2015-12-01

    The radio signature of a shock travelling through the solar corona is known as a type II solar radio burst. In rare cases, these bursts can exhibit a fine structure known as 'herringbones' which are a direct indicator of particle acceleration occurring at the shock front. However, few studies have been performed on herringbones and the details of the underlying particle acceleration processes are unknown. Here, we use an image processing technique known as the Hough transform to statistically analyse the herringbone fine structure in a radio burst at 20-90MHz observed from the Rosse Solar-Terrestrial Observatory on 2011 September 22. We identify 188 individual bursts which are signatures of bi-directional electron beams continuously accelerated to speeds of 0.16 c. This occurs at a shock acceleration site initially at a constant altitude of 0.6 Rsun in the corona, followed by a shift to 0.5 Rsun. The anti-sunward beams travel a distance of 170 Mm (and possibly further) away from the acceleration site, while those travelling toward the sun come to a stop sooner, reaching a smaller distance of 112 Mm. We show that the stopping distance for the sunward beams may depend on the total number density and the velocity of the beam. Our study concludes that a detailed statistical analysis of herringbone fine structure can provide information on the physical properties of the corona which lead to these relatively rare radio bursts.

  7. Direct observation of slow intersystem crossing in an aromatic ketone, fluorenone.

    PubMed

    Soep, Benoît; Mestdagh, Jean-Michel; Briant, Marc; Gaveau, Marc-André; Poisson, Lionel

    2016-08-17

    Direct measurements of Single vibronic Level InterSystem Crossing (SLISC) have been performed on the fluorenone molecule in the gas phase, by time resolved photoelectron and photoion spectroscopy. Vibronic transitions above the S1 nπ* origin were excited in the 432-420 nm region and the decay of S1 and growth of T1(3)ππ* could be observed within a 10 ns time domain. The ionization potential is measured as 8.33 ± 0.04 eV. The energy of the first excited triplet state of fluorenone, T1 has been characterized directly at 18 640 ± 250 cm(-1). The internal conversion of S1 to S0 is found to amount to ∼15% of the population decay, thus ISC is the dominant electronic relaxation process. ISC, although favored by the S1(1)nπ*-T1(3)ππ* coupling scheme, is 3 orders of magnitude less efficient than in the similar molecule benzophenone. Thus, the planarity of the fluorenone molecule disfavors the exploration of the configuration space where surface crossings would create high ISC probability, which occurs in benzophenone through surface crossings. The time evolution of S1 fluorenone is well accounted for by the statistical decay of individual levels into a quasi-continuum of T1 vibronic levels. PMID:27485671

  8. Direct single-molecule observation of calcium-dependent misfolding in human neuronal calcium sensor-1

    PubMed Central

    Heidarsson, Pétur O.; Naqvi, Mohsin M.; Otazo, Mariela R.; Mossa, Alessandro; Kragelund, Birthe B.; Cecconi, Ciro

    2014-01-01

    Neurodegenerative disorders are strongly linked to protein misfolding, and crucial to their explication is a detailed understanding of the underlying structural rearrangements and pathways that govern the formation of misfolded states. Here we use single-molecule optical tweezers to monitor misfolding reactions of the human neuronal calcium sensor-1, a multispecific EF-hand protein involved in neurotransmitter release and linked to severe neurological diseases. We directly observed two misfolding trajectories leading to distinct kinetically trapped misfolded conformations. Both trajectories originate from an on-pathway intermediate state and compete with native folding in a calcium-dependent manner. The relative probability of the different trajectories could be affected by modulating the relaxation rate of applied force, demonstrating an unprecedented real-time control over the free-energy landscape of a protein. Constant-force experiments in combination with hidden Markov analysis revealed the free-energy landscape of the misfolding transitions under both physiological and pathological calcium concentrations. Remarkably for a calcium sensor, we found that higher calcium concentrations increased the lifetimes of the misfolded conformations, slowing productive folding to the native state. We propose a rugged, multidimensional energy landscape for neuronal calcium sensor-1 and speculate on a direct link between protein misfolding and calcium dysregulation that could play a role in neurodegeneration. PMID:25157171

  9. Directional Surface Plasmon Coupled Luminescence for Analytical Sensing Applications: Which Metal, What Wavelength, What Observation Angle?

    PubMed Central

    Aslan, Kadir; Geddes, Chris D.

    2009-01-01

    The ability of luminescent species in the near-field to both induce and couple to surface plasmons has been known for many years, with highly directional emission from films (Surface Plasmon Coupled Luminescence, SPCL) facilitating the development of sensitive near-field assay sensing platforms, to name but just one application. Because of the near-field nature of the effect, only luminescent species (fluorescence, chemiluminescence and phosphorescence) within a few hundred nanometers from the surface play a role in coupling, which in terms of biosensing, provides for limited penetration into optically dense media, such as in whole blood. Another attractive feature is the highly polarized and angular dependent emission which allows both fixed angle and wavelength dependent emission angles to be realized at high polarization ratios. In this paper, a generic procedure based on theoretical Fresnel calculations, which outlines the step-by-step selection of an appropriate metal for SPCL applications is presented. It is also shown that 11 different metals have differing properties in different spectral regions and offer either fixed angle or wavelength-dependent angular shifts in emission. In addition, it is shown that both chemiluminescence and phosphorescence can also be observed in a highly directional manner similar to coupled fluorescence. PMID:19601619

  10. Direct Observation of α-Synuclein Amyloid Aggregates in Endocytic Vesicles of Neuroblastoma Cells

    PubMed Central

    Subramaniam, Vinod; Canters, Gerard W.; Schmidt, Thomas; Aartsma, Thijs J.

    2016-01-01

    Aggregation of α-synuclein has been linked to both familial and sporadic Parkinson’s disease. Recent studies suggest that α-synuclein aggregates may spread from cell to cell and raise questions about the propagation of neurodegeneration. While continuous progress has been made characterizing α-synuclein aggregates in vitro, there is a lack of information regarding the structure of these species inside the cells. Here, we use confocal fluorescence microscopy in combination with direct stochastic optical reconstruction microscopy, dSTORM, to investigate α-synuclein uptake when added exogenously to SH-SY5Y neuroblastoma cells, and to probe in situ morphological features of α-synuclein aggregates with near nanometer resolution. We demonstrate that using dSTORM, it is possible to follow noninvasively the uptake of extracellularly added α-synuclein aggregates by the cells. Once the aggregates are internalized, they move through the endosomal pathway and accumulate in lysosomes to be degraded. Our dSTORM data show that α-synuclein aggregates remain assembled after internalization and they are shortened as they move through the endosomal pathway. No further aggregation was observed inside the lysosomes as speculated in the literature, nor in the cytoplasm of the cells. Our study thus highlights the super-resolution capability of dSTORM to follow directly the endocytotic uptake of extracellularly added amyloid aggregates and to probe the morphology of in situ protein aggregates even when they accumulate in small vesicular compartments. PMID:27105068

  11. Direct Observation of the Hole Carriers in DNA Photoinduced Charge Transport.

    PubMed

    Harris, Michelle A; Mishra, Ashutosh Kumar; Young, Ryan M; Brown, Kristen E; Wasielewski, Michael R; Lewis, Frederick D

    2016-05-01

    The excited state behavior of DNA hairpins possessing a diphenylacetylenedicarboxamide (DPA) linker separated from a single guanine-cytosine (G-C) base pair by zero-to-six adenine-thymine (A-T) base pairs has been investigated. In the case of hairpins with zero or one A-T separating DPA and G, formation of both DPA anion radical (DPA(-•)) and G cation radical (G(+•)) are directly observed and characterized by their transient absorption and stimulated Raman spectra. For hairpins with two or more intervening A-T, the transient absorption spectra of DPA(-•) and the adenine polaron (An(+•)) are observed. In addition to characterization of the hole carriers, the dynamics of each step in the charge separation and charge recombination process as well as the overall efficiency of charge separation have been determined, thus providing a complete account of the mechanism and dynamics of photoinduced charge transport in these DNA hairpins. PMID:27082662

  12. Direct observations of evolving subglacial drainage beneath the Greenland Ice Sheet.

    PubMed

    Andrews, Lauren C; Catania, Ginny A; Hoffman, Matthew J; Gulley, Jason D; Lüthi, Martin P; Ryser, Claudia; Hawley, Robert L; Neumann, Thomas A

    2014-10-01

    Seasonal acceleration of the Greenland Ice Sheet is influenced by the dynamic response of the subglacial hydrologic system to variability in meltwater delivery to the bed via crevasses and moulins (vertical conduits connecting supraglacial water to the bed of the ice sheet). As the melt season progresses, the subglacial hydrologic system drains supraglacial meltwater more efficiently, decreasing basal water pressure and moderating the ice velocity response to surface melting. However, limited direct observations of subglacial water pressure mean that the spatiotemporal evolution of the subglacial hydrologic system remains poorly understood. Here we show that ice velocity is well correlated with moulin hydraulic head but is out of phase with that of nearby (0.3-2 kilometres away) boreholes, indicating that moulins connect to an efficient, channelized component of the subglacial hydrologic system, which exerts the primary control on diurnal and multi-day changes in ice velocity. Our simultaneous measurements of moulin and borehole hydraulic head and ice velocity in the Paakitsoq region of western Greenland show that decreasing trends in ice velocity during the latter part of the melt season cannot be explained by changes in the ability of moulin-connected channels to convey supraglacial melt. Instead, these observations suggest that decreasing late-season ice velocity may be caused by changes in connectivity in unchannelized regions of the subglacial hydrologic system. Understanding this spatiotemporal variability in subglacial pressures is increasingly important because melt-season dynamics affect ice velocity beyond the conclusion of the melt season. PMID:25279921

  13. Direct Observations of Clouds on Brown Dwarfs: A Spitzer Study of Extreme Cases

    NASA Astrophysics Data System (ADS)

    Burgasser, Adam; Cruz, Kelle; Cushing, Michael; Kirkpatrick, J. Davy; Looper, Dagny; Lowrance, Patrick; Marley, Mark; Saumon, Didier

    2008-03-01

    Clouds play a fundamental role in the emergent spectral energy distributions and observed variability of very low mass stars and brown dwarfs, yet hey have only been studied indirectly thus far. Recent indications of a broad silicate grain absorption feature in the 8-11 micron spectra of mid-type L dwarfs, and evidence that the strength of this absorption varies according to broad-band near-infrared color, may finally allow the first direct studies of clouds and condensate grain properties in brown dwarf atmospheres. We propose to observe a sample of 18 ``extreme'' L dwarfs - objects with unusually blue and red near-infrared colors - with IRAC and IRS to study the 8-11 micron feature in detail (including grain size distributions and bulk compositions), and to constrain advanced condensate cloud atmosphere models currently in development. Our program provides a unique examination of the general processes of cloud formation by focusing on the relatively warm photospheres of late-type brown dwarfs.

  14. Direct Observation of Controlled Melting and Resolidification of Succinonitrile Mixtures in a Microgravity Environment

    NASA Technical Reports Server (NTRS)

    Grugel, R. N.; Anilkumar, A. V.; Lee, C. P.

    2004-01-01

    In support of the Pore Formation and Mobility Investigation (PFMI) direct observation of experiments on the controlled melting and subsequent resolidification of succinonitrile were conducted in the glovebox facility (GBX) of the International Space Station (ISS). Samples were prepared on ground by filling glass tubes, 1 cm ID and approximately 30 cm in length, with pure succinonitrile (SCN) and SCN-Water mixtures under 450 millibar of nitrogen. Experimental processing parameters of temperature gradient and translation speed, as well as camera settings, were remotely monitored and manipulated from the ground Telescience Center (TSC) at the Marshall Space Flight Center. Sample temperatures are monitored by six in situ thermocouples. Real time visualization during melt back revealed bubbles of different sizes initiating at the solid/liquid interface, their release, interactions, and movement into the temperature field ahead of them. Subsequent re-solidification examined planar interface breakdown and the transition to steady-state dendritic growth. A preliminary analysis of the observed phenomena and its implication to future microgravity experiments is presented and discussed.

  15. Gossip as an alternative for direct observation in games of indirect reciprocity

    PubMed Central

    Sommerfeld, Ralf D.; Krambeck, Hans-Jürgen; Semmann, Dirk; Milinski, Manfred

    2007-01-01

    Communication about social topics is abundant in human societies, and many functions have been attributed to such gossiping. One of these proposed functions is the management of reputations. Reputation by itself has been shown to have a strong influence on cooperation dynamics in games of indirect reciprocity, and this notion helps to explain the observed high level of cooperation in humans. Here we designed a game to test a widespread assumption that gossip functions as a vector for the transmission of social information. This empirical study (with 14 groups of nine students each) focuses on the composition of gossip, information transfer by gossip, and the behavior based on gossip information. We show that gossip has a strong influence on the resulting behavior even when participants have access to the original information (i.e., direct observation) as well as gossip about the same information. Thus, it is evident that gossip has a strong manipulative potential. Furthermore, gossip about cooperative individuals is more positive than gossip about uncooperative individuals, gossip comments transmit social information successfully, and cooperation levels are higher when people encounter positive compared with negative gossip. PMID:17947384

  16. Direct observation of small cluster mobility and ripening. [during annealing of metal films on amorphous substrates

    NASA Technical Reports Server (NTRS)

    Heinemann, K.; Poppa, H.

    1975-01-01

    Direct evidence is reported for the simultaneous occurrence of Ostwald ripening and short-distance cluster mobility during annealing of discontinuous metal films on clean amorphous substrates. The annealing characteristics of very thin particulate deposits of silver on amorphized clean surfaces of single crystalline thin graphite substrates were studied by in-situ transmission electron microscopy (TEM) under controlled environmental conditions (residual gas pressure of 10 to the minus 9th power torr) in the temperature range from 25 to 450 C. Sputter cleaning of the substrate surface, metal deposition, and annealing were monitored by TEM observation. Pseudostereographic presentation of micrographs in different annealing stages, the observation of the annealing behavior at cast shadow edges, and measurements with an electronic image analyzing system were employed to aid the visual perception and the analysis of changes in deposit structure recorded during annealing. Slow Ostwald ripening was found to occur in the entire temperature range, but the overriding surface transport mechanism was short-distance cluster mobility.

  17. Determination of miscibility pressure by direct-observation method. Quarterly report, July 1-September 30, 1982

    SciTech Connect

    Wang, G.C.

    1982-01-01

    The objective of the project is to conduct laboratory tests to: (1) develop a method for determining miscibility pressure (MMP) through direct observation using a high pressure cell; and (2) determine feasibility of in-situ foam generation by visual observation and microphotographic technique. The project is organized and carried out in three major tasks, i.e., (1) MMP test; (2) high pressure sampling and chemical analysis; and (3) foam study and displacement test. The MMP test was 100% completed. The summary and results were presented in the last quarterly report. Chemical analysis using the HP5880-A was continued for SACROC crude oil at 76/sup 0/F and 150/sup 0/F and was also conducted for Rock Creek crude oil at 78/sup 0/F and 120/sup 0/F. Generally speaking, the changes of crude oil composition caused by CO/sub 2/ extraction are similar for both crude oils. During this reporting period, 29 displacements were performed for SACROC and Rock Creek crude soils. Results are discussed. 5 figures, 1 table.

  18. Direct observations of the photoinduced change in dimerization in K-TCNQ

    NASA Astrophysics Data System (ADS)

    Ishikawa, Tadahiko; Hosoda, Ryosuke; Okimoto, Yoichi; Tanaka, Sei'ichi; Onda, Ken; Koshihara, Shinya; Kumai, Reiji

    2016-05-01

    The photoinduced dynamics of a potassium-tetracyanoquinodimethane (K-TCNQ) single crystal in the generalized Peierls phase are evaluated via time-resolved vibrational spectroscopy. The transient reflectivity spectrum of the photoinduced state in the mid-IR range shows a decrease in the height and width of the reflectivity band because of the electron-molecular-vibration-coupled CN stretching mode at approximately 2180 cm-1. This spectral change suggests that the photoexcitation of the charge transfer in TCNQ molecules induces melting of the dimerization of the molecules. From detailed analysis of the spectral evolution, the relaxation time constant from the photoinduced state to the dimerized state is estimated to be approximately 0.6 ps. Even after the recovery of the dimerization, a fluctuation is still observed, probably because of a domain-wall soliton. The fluctuation gradually dissipates with a time constant of approximately 2.3 ps. Direct observation of the dimerization process reveals the true dynamics of the photoinduced cooperative phenomenon within this system.

  19. Incorporating a disturbance observer with direct velocity feedback for control of human-induced vibrations

    NASA Astrophysics Data System (ADS)

    Nyawako, Donald; Reynolds, Paul; Hudson, Emma

    2016-04-01

    Feedback control strategies are desirable for disturbance rejection of human-induced vibrations in civil engineering structures as human walking forces cannot easily be measured. In relation to human-induced vibration control studies, most past researches have focused on floors and footbridges and the widely used linear controller implemented in the trials has been the direct velocity feedback (DVF) scheme. With appropriate compensation to enhance its robustness, it has been shown to be effective at damping out the problematic modes of vibration of the structures in which the active vibration control systems have been implemented. The work presented here introduces a disturbance observer (DOB) that is used with an outer-loop DVF controller. Results of analytical studies presented in this work based on the dynamic properties of a walkway bridge structure demonstrate the potential of this approach for enhancing the vibration mitigation performance offered by a purely DVF controller. For example, estimates of controlled frequency response functions indicate improved attenuation of vibration around the dominant frequency of the walkway bridge structure as well as at higher resonant frequencies. Controlled responses from three synthesized walking excitation forces on a walkway bridge structure model show that the inclusion of the disturbance observer with an outer loop DVF has potential to improve on the vibration mitigation performance by about 3.5% at resonance and 6-10% off-resonance. These are realised with hard constraints being imposed on the low frequency actuator displacements.

  20. Direct reconstruction of dynamical dark energy from observational Hubble parameter data

    NASA Astrophysics Data System (ADS)

    Liu, Zhi-E.; Yu, Hao-Ran; Zhang, Tong-Jie; Tang, Yan-Ke

    2016-12-01

    Reconstructing the evolution history of the dark energy equation of state parameter w(z) directly from observational data is highly valuable in cosmology, since it contains substantial clues in understanding the nature of the accelerated expansion of the Universe. Many works have focused on reconstructing w(z) using Type Ia supernova data, however, only a few studies pay attention to Hubble parameter data. In the present work, we explore the merit of Hubble parameter data and make an attempt to reconstruct w(z) from them through the principle component analysis approach. We find that current Hubble parameter data perform well in reconstructing w(z) ; though, when compared to supernova data, the data are scant and their quality is worse. Both ΛCDM and evolving w(z) models can be constrained within 10 % at redshifts z ≲ 1.5 and even 5 % at redshifts 0.1 ≲ z ≲ 1 by using simulated H(z) data of observational quality.

  1. Direct observations of ligand dynamics in hemoglobin by subpicosecond infrared spectroscopy.

    PubMed Central

    Anfinrud, P A; Han, C; Hochstrasser, R M

    1989-01-01

    The photodissociation of CO from HbCO at ambient temperature is studied by means of a femtosecond IR technique. The bleaching of the FeCO absorption and the appearance of a new IR absorption near that of free CO are both observed at 300 fs after optical excitation. The bleach does not recover on the time scale of a few picoseconds but does recover by approximately 4% within 1 ns, which suggests that a barrier to recombination is formed within a few picoseconds. The CO spectrum does not change significantly between 300 fs and 1 ns, suggesting that the CO quickly finds some locations in the heme pocket that are not more than a few angstroms from the iron. The de-ligated CO appears in its ground vibrational level. There is evidence that 85 +/- 10% of this CO remains in the heme pocket at 1 ns; it probably resides there for 50 ns. The flow of excess vibrational energy from the heme to the solvent was directly observed in the IR experiments. The heme cools within 1-2 ps while thermal disruption of the surrounding solvent structure requires approximately 30 ps. PMID:2554314

  2. Direct observations of ligand dynamics in hemoglobin by subpicosecond infrared spectroscopy.

    PubMed

    Anfinrud, P A; Han, C; Hochstrasser, R M

    1989-11-01

    The photodissociation of CO from HbCO at ambient temperature is studied by means of a femtosecond IR technique. The bleaching of the FeCO absorption and the appearance of a new IR absorption near that of free CO are both observed at 300 fs after optical excitation. The bleach does not recover on the time scale of a few picoseconds but does recover by approximately 4% within 1 ns, which suggests that a barrier to recombination is formed within a few picoseconds. The CO spectrum does not change significantly between 300 fs and 1 ns, suggesting that the CO quickly finds some locations in the heme pocket that are not more than a few angstroms from the iron. The de-ligated CO appears in its ground vibrational level. There is evidence that 85 +/- 10% of this CO remains in the heme pocket at 1 ns; it probably resides there for 50 ns. The flow of excess vibrational energy from the heme to the solvent was directly observed in the IR experiments. The heme cools within 1-2 ps while thermal disruption of the surrounding solvent structure requires approximately 30 ps. PMID:2554314

  3. Influence of Observed Diurnal Cycles of Aerosol Optical Depth on Aerosol Direct Radiative Effect

    NASA Technical Reports Server (NTRS)

    Arola, A.; Eck, T. F.; Huttunen, J.; Lehtinen, K. E. J.; Lindfors, A. V.; Myhre, G.; Smirinov, A.; Tripathi, S. N.; Yu, H.

    2013-01-01

    The diurnal variability of aerosol optical depth (AOD) can be significant, depending on location and dominant aerosol type. However, these diurnal cycles have rarely been taken into account in measurement-based estimates of aerosol direct radiative forcing (ADRF) or aerosol direct radiative effect (ADRE). The objective of our study was to estimate the influence of diurnal aerosol variability at the top of the atmosphere ADRE estimates. By including all the possible AERONET sites, we wanted to assess the influence on global ADRE estimates. While focusing also in more detail on some selected sites of strongest impact, our goal was to also see the possible impact regionally.We calculated ADRE with different assumptions about the daily AOD variability: taking the observed daily AOD cycle into account and assuming diurnally constant AOD. Moreover, we estimated the corresponding differences in ADREs, if the single AOD value for the daily mean was taken from the the Moderate Resolution Imaging Spectroradiometer (MODIS) Terra or Aqua overpass times, instead of accounting for the true observed daily variability. The mean impact of diurnal AOD variability on 24 h ADRE estimates, averaged over all AERONET sites, was rather small and it was relatively small even for the cases when AOD was chosen to correspond to the Terra or Aqua overpass time. This was true on average over all AERONET sites, while clearly there can be much stronger impact in individual sites. Examples of some selected sites demonstrated that the strongest observed AOD variability (the strongest morning afternoon contrast) does not typically result in a significant impact on 24 h ADRE. In those cases, the morning and afternoon AOD patterns are opposite and thus the impact on 24 h ADRE, when integrated over all solar zenith angles, is reduced. The most significant effect on daily ADRE was induced by AOD cycles with either maximum or minimum AOD close to local noon. In these cases, the impact on 24 h ADRE was

  4. Direct Attribution of the Anthropogenic climate signal to PHENological observations - DATAPHEN

    NASA Astrophysics Data System (ADS)

    Scheifinger, H.; Schöngaßner, T.; Zuvela-Aloise, M.; Matulla, C.

    2012-04-01

    Warming of the climate system has been widely observed during the last decades. Attribution analyses suggest that the global pattern of warming during the past half century is very likely caused by human-induced greenhouse gas forcing. Although up to present a considerable number of detection and attribution studies have been published dealing with the problem over a range of atmospheric parameters and over a large spatial range, there is still a dearth on direct attribution studies, which quantitatively link the human influence on the climate system with observed impacts for instance on the biosphere. This work intends to apply the direct attribution method via an end-to-end modelling system to quantitatively link anthropogenic forcing with the observed shift of phenological entry dates. From the PEP725 (Pan European Phenology data base, www.pep725.eu) 36 phenological phases have been select with a sufficient spatial coverage over Central Europe. In order to deduce the parameters for the Temperature Sum Model (TSM), daily mean temperatures from the ECA&D station network have been prepared. While working on the project a sufficient number of CMIP5 runs have become available, so that we could compile 7 models with an ensemble of 27 runs for the historicalNat case (20th century runs with natural forcing only) and 6 models with altogether 35 runs for the historical case (20th century runs with all forcings). Additionally there is one observational data set (ECA&D 0.25° resolution grid over Europe, http://eca.knmi.nl), two reanalysis runs (ERA40 and NCAR-NCEP) one 1000 year piControl (preindustrial control run), adding up to 66 data sets. The daily mean temperature data of the 66 above mentioned data sets are interpolated to all ECA&D stations, where the TSM parameters have been deduced. After the phenological entry dates have been modelled for 66 cases at the ECA&D stations, a mean Central European phenological time series is calculated. The subsequent statistical

  5. THE EFFECTIVENESS OF CLOSED CIRCUIT TELEVISION OBSERVATION AND OF DIRECT OBSERVATION OF CHILDREN'S ART CLASSES FOR IMPLEMENTING ELEMENTARY TEACHERS' TRAINING IN ART EDUCATION.

    ERIC Educational Resources Information Center

    SYKES, RONALD E.

    AN EXPERIMENTAL STUDY WAS DESIGNED TO MEASURE THE EXTENT TO WHICH CLOSED CIRCUIT TELEVISION OBSERVATIONS AND DIRECT OBSERVATIONS OF CHILDREN'S ART CLASSES CONTRIBUTE SIGNIFICANTLY TO THE ABILITY OF ELEMENTARY EDUCATION MAJORS TO DISCRIMINATE BETWEEN DESIRABLE AND UNDESIRABLE SOLUTIONS TYPICALLY OCCURRING IN TEACHING ART TO ELEMENTARY SCHOOL…

  6. Measuring Learning Styles with Questionnaires versus Direct Observation of Preferential Choice Behavior in Authentic Learning Situations: The Visualizer/Verbalizer Behavior Observation Scale (VV-BOS).

    ERIC Educational Resources Information Center

    Leutner, Detlev; Plass, Jan L.

    1998-01-01

    Describes the development of the VV-BOS (Visualizer/Verbalizer Behavior Observation Scale), a computer-based instrument for direct observation of students' preferences for visual or verbal learning material. Results of a study with second-language learners indicated a high degree of reliability as an alternative to conventional questionnaires.…

  7. Direct Observation of Formation Behavior of Metal Emulsion in Sn/Salt System

    NASA Astrophysics Data System (ADS)

    Yoshida, Hironori; Liu, Jiang; Kim, Sun-Joong; Gao, Xu; Ueda, Shigeru; Maruoka, Nobuhiro; Ono, Shinpei; Kitamura, Shin-ya

    2016-05-01

    Using two systems with different interfacial tensions, the behavior of metal emulsions during bottom blowing was observed directly with a high-speed camera. The interfacial tension between molten salt (KCl-LiCl-NaCl) and molten Sn was measured by a pendant drop method, and it decreased to about 100 mN/m when the Te content in Sn increased from 0 to 0.5 pct. In both systems, two types of metal emulsion behaviors were observed. In Mode A, fine metal droplets were formed after the metal film ruptured at the interface. In Mode B, the formation of coarse droplets was observed after the disintegration of the column generated by the rising bubble, and the number of droplets increased with the gas flow rate compared to that in Mode A. The generating frequency of each mode revealed that Mode B became dominant with increasing gas flow rate. In the pure Sn/salt system, the numbers of droplets of Mode B showed a local maximum at high gas flow rates, but the numbers of droplets in Sn-0.5 pctTe/salt increased continuously even in the same flow range. Regarding the size distribution, the percentage of coarse metal droplets in the Sn-0.5 pctTe alloy/salt was larger than that in the pure Sn/salt. Furthermore, the effect of interfacial tension on the variation in surface area and volume of the droplets showed a similar tendency for the column height. Therefore, a decrement of the interfacial tension led to an increment of the column height when Mode B occurred and finally resulted in a higher interfacial area.

  8. Direct Observation of Photoinduced Tautomerization in Single Molecules at a Metal Surface.

    PubMed

    Böckmann, H; Liu, S; Mielke, J; Gawinkowski, S; Waluk, J; Grill, L; Wolf, M; Kumagai, T

    2016-02-10

    Molecular switches are of fundamental importance in nature, and light is an important stimulus to selectively drive the switching process. However, the local dynamics of a conformational change in these molecules remain far from being completely understood at the single-molecule level. Here, we report the direct observation of photoinduced tautomerization in single porphycene molecules on a Cu(111) surface by using a combination of low-temperature scanning tunneling microscopy and laser excitation in the near-infrared to ultraviolet regime. It is found that the thermodynamically stable trans configuration of porphycene can be converted to the metastable cis configuration in a unidirectional fashion by photoirradiation. The wavelength dependence of the tautomerization cross section exhibits a steep increase around 2 eV and demonstrates that excitation of the Cu d-band electrons and the resulting hot carriers play a dominant role in the photochemical process. Additionally, a pronounced isotope effect in the cross section (∼100) is observed when the transferred hydrogen atoms are substituted with deuterium, indicating a significant contribution of zero-point energy in the reaction. Combined with the study of inelastic tunneling electron-induced tautomerization with the STM, we propose that tautomerization occurs via excitation of molecular vibrations after photoexcitation. Interestingly, the observed cross section of ∼10(-19) cm(2) in the visible-ultraviolet region is much higher than that of previously studied molecular switches on a metal surface, for example, azobenzene derivatives (10(-23)-10(-22) cm(2)). Furthermore, we examined a local environmental impact on the photoinduced tautomerization by varying molecular density on the surface and find substantial changes in the cross section and quenching of the process due to the intermolecular interaction at high density. PMID:26796945

  9. An instrument for direct observations of seismic and normal-mode rotational oscillations of the Earth

    PubMed Central

    Cowsik, R.

    2007-01-01

    The rotations around the vertical axis associated with the normal mode oscillations of the Earth and those induced by the seismic and other disturbances have been very difficult to observe directly. Such observations will provide additional information for 3D modeling of the Earth and for understanding earthquakes and other underground explosions. In this paper, we describe the design of an instrument capable of measuring the rotational motions associated with the seismic oscillations of the Earth, including the lowest frequency normal mode at ν ≈ 3.7 × 10−4 Hz. The instrument consists of a torsion balance with a natural frequency of ν0 ≈ 1.6 × 10−4 Hz, which is observed by an autocollimating optical lever of high angular resolution and dynamic range. Thermal noise limits the sensitivity of the apparatus to amplitudes of ≈ 1.5 × 10−9 rad at the lowest frequency normal mode and the sensitivity improves as ν−3/2 with increasing frequency. Further improvements in sensitivity by about two orders of magnitude may be achieved by operating the balance at cryogenic temperatures. Alternatively, the instrument can be made more robust with a reduced sensitivity by increasing ν0 to ≈10−2 Hz. This instrument thus complements the ongoing effort by Igel and others to study rotational motions using ring laser gyroscopes and constitutes a positive response to the clarion call for developments in rotation seismology by Igel, Lee, and Todorovska [H. Igel, W.H.K. Lee and M.I. Todorovska, AGU Fall Meeting 2006, Rotational Seismology Sessions: S22A,S23B, Inauguration of the International Working Group on Rotational Seismology (IWGoRS)]. PMID:17438268

  10. Mid-depth recirculation observed in the interior Labrador and Irminger seas by direct velocity measurements

    PubMed

    Lavender; Davis; Owens

    2000-09-01

    The Labrador Sea is one of the sites where convection exports surface water to the deep ocean in winter as part of the thermohaline circulation. Labrador Sea water is characteristically cold and fresh, and it can be traced at intermediate depths (500-2,000 m) across the North Atlantic Ocean, to the south and to the east of the Labrador Sea. Widespread observations of the ocean currents that lead to this distribution of Labrador Sea water have, however, been difficult and therefore scarce. We have used more than 200 subsurface floats to measure directly basin-wide horizontal velocities at various depths in the Labrador and Irminger seas. We observe unanticipated recirculations of the mid-depth (approximately 700 m) cyclonic boundary currents in both basins, leading to an anticyclonic flow in the interior of the Labrador basin. About 40% of the floats from the region of deep convection left the basin within one year and were rapidly transported in the anticyclonic flow to the Irminger basin, and also eastwards into the subpolar gyre. Surprisingly, the float tracks did not clearly depict the deep western boundary current, which is the expected main pathway of Labrador Sea water in the thermohaline circulation. Rather, the flow along the boundary near Flemish Cap is dominated by eddies that transport water offshore. Our detailed observations of the velocity structure with a high data coverage suggest that we may have to revise our picture of the formation and spreading of Labrador Sea water, and future studies with similar instrumentation will allow new insights on the intermediate depth ocean circulation. PMID:10993072

  11. Direct Observation of Formation Behavior of Metal Emulsion in Sn/Salt System

    NASA Astrophysics Data System (ADS)

    Yoshida, Hironori; Liu, Jiang; Kim, Sun-Joong; Gao, Xu; Ueda, Shigeru; Maruoka, Nobuhiro; Ono, Shinpei; Kitamura, Shin-ya

    2016-08-01

    Using two systems with different interfacial tensions, the behavior of metal emulsions during bottom blowing was observed directly with a high-speed camera. The interfacial tension between molten salt (KCl-LiCl-NaCl) and molten Sn was measured by a pendant drop method, and it decreased to about 100 mN/m when the Te content in Sn increased from 0 to 0.5 pct. In both systems, two types of metal emulsion behaviors were observed. In Mode A, fine metal droplets were formed after the metal film ruptured at the interface. In Mode B, the formation of coarse droplets was observed after the disintegration of the column generated by the rising bubble, and the number of droplets increased with the gas flow rate compared to that in Mode A. The generating frequency of each mode revealed that Mode B became dominant with increasing gas flow rate. In the pure Sn/salt system, the numbers of droplets of Mode B showed a local maximum at high gas flow rates, but the numbers of droplets in Sn-0.5 pctTe/salt increased continuously even in the same flow range. Regarding the size distribution, the percentage of coarse metal droplets in the Sn-0.5 pctTe alloy/salt was larger than that in the pure Sn/salt. Furthermore, the effect of interfacial tension on the variation in surface area and volume of the droplets showed a similar tendency for the column height. Therefore, a decrement of the interfacial tension led to an increment of the column height when Mode B occurred and finally resulted in a higher interfacial area.

  12. Wide-field direct CCD observations supporting the Astro-1 Space Shuttle mission's Ultraviolet Imaging Telescope

    NASA Technical Reports Server (NTRS)

    Hintzen, Paul; Angione, Ron; Talbert, Freddie; Cheng, K.-P.; Smith, Eric; Stecher, Theodore P.

    1993-01-01

    Wide field direct CCD observations are being obtained to support and complement the vacuum-ultraviolet (VUV) images provided by Astro's Ultraviolet Imaging Telescope (UIT) during a Space Shuttle flight in December 1990. Because of the wide variety of projects addressed by UIT, the fields observed include (1) galactic supernova remnants such as the Cygnus Loop and globular clusters such as Omega Cen and M79; (2) the Magellanic Clouds, M33, M81, and other galaxies in the Local Group; and (3) rich clusters of galaxies, principally the Perseus cluster and Abell 1367. Ground-based observations have been obtained for virtually all of the Astro-1 UIT fields. The optical images allow identification of individual UV sources in each field and provide the long baseline in wavelength necessary for accurate analysis of UV-bright sources. To facilitate use of our optical images for analysis of UIT data and other projects, we plan to archive them, with the UIT images, at the National Space Science Data Center (NSSDC), where they will be universally accessible via anonymous FTP. The UIT, one of three telescopes comprising the Astro spacecraft, is a 38-cm f/9 Ritchey-Chretien telescope on which high quantum efficiency, solar-blind image tubes are used to record VUV images on photographic film. Five filters with passbands centered between 1250A and 2500A provide both VUV colors and a measurement of extinction via the 2200A dust feature. The resulting calibrated VUV pictures are 40 arcminutes in diameter at 2.5 arcseconds resolution. The capabilities of UIT, therefore, complement HST's WFPC: the latter has 40 times greater collecting area, while UIT's usable field has 170 times WFPC's field area.

  13. Phase-field modeling and experimental observation of the irregular interface morphology during directional solidification

    NASA Astrophysics Data System (ADS)

    Guo, Taiming

    Evolution of the complex solid-liquid interface morphology during a solidification process is an important issue in solidification theory since the morphology eventually dictates the final microstructure of the solidified material and therefore the material properties. Significant progress have been made in recent years in the study of the formation and development of regular dendritic growth, while only limited understanding is achieved for the irregular interface patterns observed in many industry processes. This dissertation focuses on the physical mechanisms of the development and transition of various irregular interface patterns, including the tilted dendritic, the seaweed, and the degenerate patterns. Both experimental observations and numerical simulation using the phase field modeling are performed. A special effort is devoted on the effects of the capillary anisotropy and the kinetic anisotropy in the evolution of the interface morphology during solidification. Experimentally, a directional solidification system is constructed to observe in situ the interface morphology by using the transparent organic material succinonitrile. With such a system, both the regular interface patterns (cellular and dendritic) and the irregular interface patterns (seaweed, degenerate and tilted dendritic) are observed. The effects of the temperature gradient and the interface velocity on the development and transition of the irregular interface patterns are investigated. It is found that the interface morphology transits from the seaweed to the tilted dendritic pattern as the interface velocity increases, while the tilted dendritic pattern may transit to the degenerate seaweed pattern as the temperature gradient increases. Under certain conditions, dendrites and seaweed coexist within the same grain. The dynamic transitions among various patterns and the effect of the solidification conditions are examined in detail. Numerically, a 2-D phase field model is developed to

  14. Twenty-four-hour recall, knowledge-attitude-practice questionnaires, and direct observations of sanitary practices: a comparative study

    PubMed Central

    Stanton, B. F.; Clemens, J. D.; Aziz, K. M. A.; Rahman, M.

    1987-01-01

    Although responses to 24-hour recall and knowledge—attitude—practice questionnaires are commonly used in water—sanitation studies as surrogates for direct observation of behaviour, the validity of this approach is questionable. We therefore compared questionnaire data with those obtained by direct observation of practices related to water storage, handwashing, and defecation among 247 families in urban Dhaka, Bangladesh. Analysis of the results indicates that accord between the replies to the questionnaires and the data collected by direct observation was poor and that the responses to the two questionnaires were often contradictory. Significant disagreements between the results of questionnaires and observations arose usually because desirable practices were over-reported by the respondents. The results of the study suggest that in urban Bangladesh 24-hour recall and knowledge—attitude—practice questionnaires should not be used as proxies for direct observation of hygiene practices. PMID:3496987

  15. Direct Observation of the Intrinsic Backbone Torsional Mobility of Disordered Proteins.

    PubMed

    Jain, Neha; Narang, Dominic; Bhasne, Karishma; Dalal, Vijit; Arya, Shruti; Bhattacharya, Mily; Mukhopadhyay, Samrat

    2016-08-23

    The fundamental backbone dynamics of unfolded proteins arising due to intrinsic ϕ-ψ dihedral angle fluctuations dictate the course of protein folding, binding, assembly, and function. These internal fluctuations are also critical for protein misfolding associated with a range of human diseases. However, direct observation and unambiguous assignment of this inherent dynamics in chemically denatured proteins is extremely challenging due to various experimental limitations. To directly map the backbone torsional mobility in the ϕ-ψ dihedral angle space, we used a model intrinsically disordered protein, namely, α-synuclein, that adopts an expanded state under native conditions. We took advantage of nonoccurrence of tryptophan in α-synuclein and created a number of single-tryptophan variants encompassing the entire polypeptide chain. We then utilized highly sensitive picosecond time-resolved fluorescence depolarization measurements that allowed us to discern the site-specific torsional relaxation at a low protein concentration under physiological conditions. For all the locations, the depolarization kinetics exhibited two well-separated rotational-correlation-time components. The shorter, subnanosecond component arises due to the local mobility of the indole side chain, whereas the longer rotational-correlation-time component (1.37 ± 0.15 ns), independent of global tumbling, represents a characteristic timescale for short-range conformational exchange in the ϕ-ψ dihedral space. This correlation time represents an intrinsic timescale for torsional relaxation and is independent of position, which is expected for an extended polypeptide chain having little or no propensity to form persistent structures. We were also able to capture this intrinsic timescale at the N-terminal unstructured domain of the prion protein. Our estimated timescale of the segmental mobility is similar to that of unfolded proteins studied by nuclear magnetic resonance in conjunction with

  16. Class I Methanol Maser Observations at 44 GHz in the Direction of some SNRs and SFRs.

    NASA Astrophysics Data System (ADS)

    Larionov, G. M.; Litovchenko, I. D.; Val'tts, I. E., Alakoz, A. V.

    2011-05-01

    The results of searching for class I methanol maser emission in the interstellar medium are presented. Observations at Onsala 20-m radio telescope at 44 GHz in methanol transition 7_0-6_1A has been conducted in the direction of different types of objects of the northern hemisphere: in a little-studied region of maser emission G27.4-0.2, in some supernova remnants, in high mass protostars regions, in the dust rings around HII regions and in protostellar candidates associated with powerful bipolar outflows. In the source G27.4-0.2, which is identified with two SNR well known G27.4 +0.0 (Kes73) and possible G27.3-0.2 - class I methanol maser emission was detected at the frequency of 44 GHz. In the vicinity of the maser a map of size (27 'x 27') has been obtained. It was shown that emission at 44 GHz is formed only within the previously known maser region at 95 GHz. In four supernova remnants class I methanol maser emission was not detected at the coordinates of satellite OH (1720) maser emission. In the direction of high mass star-forming regions 9 new class I methanol masers were detected at 44 GHz. These 9 new masers are from areas characterized by high density and lack of continuum radio emission. This fact indicates the absence of ultra-compact HII regions, hence the young age of star forming regions, which have not yet formed protostar to ensure the ionization of the environment. This conclusion confirms the hypothesis of a purely collisional pumping of class I methanol masers.

  17. Low frequency radio observations of bi-directional electron beams in the solar corona

    NASA Astrophysics Data System (ADS)

    Carley, Eoin P.; Reid, Hamish; Vilmer, Nicole; Gallagher, Peter T.

    2015-09-01

    The radio signature of a shock travelling through the solar corona is known as a type II solar radio burst. In rare cases these bursts can exhibit a fine structure known as "herringbones", which are a direct indicator of particle acceleration occurring at the shock front. However, few studies have been performed on herringbones and the details of the underlying particle acceleration processes are unknown. Here, we use an image processing technique known as the Hough transform to statistically analyse the herringbone fine structure in a radio burst at ~20-90 MHz observed from the Rosse Solar-Terrestrial Observatory on 2011 September 22. We identify 188 individual bursts which are signatures of bi-directional electron beams continuously accelerated to speeds of 0.16-0.10+0.11 c. This occurs at a shock acceleration site initially at a constant altitude of ~0.6 R⊙ in the corona, followed by a shift to ~0.5 R⊙. The anti-sunward beams travel a distance of 170-97+174 Mm (and possibly further) away from the acceleration site, while those travelling toward the Sun come to a stop sooner, reaching a smaller distance of 112-76+84 Mm. We show that the stopping distance for the sunward beams may depend on the total number density and the velocity of the beam. Our study concludes that a detailed statistical analysis of herringbone fine structure can provide information on the physical properties of the corona which lead to these relatively rare radio bursts.

  18. Direct observation of roaming radicals in the thermal decomposition of acetaldehyde.

    SciTech Connect

    Sivaramakrishnan, R.; Michael, J. V.; Klippenstein, S. J.; Chemical Sciences and Engineering Division

    2010-01-21

    The thermal dissociation of acetaldehyde has been studied with the reflected shock tube technique using H(D)-atom atomic resonance absorption spectrometry detection. The use of an unreversed light source yields extraordinarily sensitive H atom detection. As a result, we are able to measure both the total decomposition rate and the branching to radical versus molecular channels. This branching provides a direct measure of the contribution from the roaming radical mechanism since the contributions from the usual tight transition states are predicted by theory to be negligible. The experimental observations also provide a measure of the rate coefficient for H + CH{sub 3}CHO. Another set of experiments employing C{sub 2}H{sub 5}I as an H-atom source provides additional data for this rate coefficient that extends to lower temperature. An evaluation of the available experimental results for H + CH{sub 3}CHO can be expressed by a three-parameter Arrhenius expression as k = 7.66 x 10{sup -20}T{sup 2.75} exp((-486 K)/T) cm{sup 3} molecule{sup -1} s{sup -1} (298-1415 K). Analogous experiments employing C{sub 2}D{sub 5}I as a D-atom source allow for the study of the isotopically substituted reaction. The present experiments are the only direct measure for this reaction rate constant, and the results can be expressed by an Arrhenius expression as k = 5.20 x 10{sup -10} exp((-4430 K)/T) cm{sup 3} molecule{sup -1} s{sup -1} (1151-1354 K). The H/D + CH{sub 3}CHO reactions are also studied with ab initio transition-state theory, and the results are in remarkably good agreement with the current experimental data.

  19. Objectively Optimized Observation Direction System Providing Situational Awareness for a Sensor Web

    NASA Astrophysics Data System (ADS)

    Aulov, O.; Lary, D. J.

    2010-12-01

    There is great utility in having a flexible and automated objective observation direction system for the decadal survey missions and beyond. Such a system allows us to optimize the observations made by suite of sensors to address specific goals from long term monitoring to rapid response. We have developed such a prototype using a network of communicating software elements to control a heterogeneous network of sensor systems, which can have multiple modes and flexible viewing geometries. Our system makes sensor systems intelligent and situationally aware. Together they form a sensor web of multiple sensors working together and capable of automated target selection, i.e. the sensors “know” where they are, what they are able to observe, what targets and with what priorities they should observe. This system is implemented in three components. The first component is a Sensor Web simulator. The Sensor Web simulator describes the capabilities and locations of each sensor as a function of time, whether they are orbital, sub-orbital, or ground based. The simulator has been implemented using AGIs Satellite Tool Kit (STK). STK makes it easy to analyze and visualize optimal solutions for complex space scenarios, and perform complex analysis of land, sea, air, space assets, and shares results in one integrated solution. The second component is target scheduler that was implemented with STK Scheduler. STK Scheduler is powered by a scheduling engine that finds better solutions in a shorter amount of time than traditional heuristic algorithms. The global search algorithm within this engine is based on neural network technology that is capable of finding solutions to larger and more complex problems and maximizing the value of limited resources. The third component is a modeling and data assimilation system. It provides situational awareness by supplying the time evolution of uncertainty and information content metrics that are used to tell us what we need to observe and the

  20. Quantifying Aerosol Direct Effects from Broadband Irradiance and Spectral Aerosol Optical Depth Observations

    SciTech Connect

    Creekmore, Torreon N.; Joseph, Everette; Long, Charles N.; Li, Siwei

    2014-05-16

    We outline a methodology using broadband and spectral irradiances to quantify aerosol direct effects on the surface diffuse shortwave (SW) irradiance. Best Estimate Flux data span a 13 year timeframe at the Department of Energy Atmospheric Radiation Measurement Program’s Southern Great Plains (SGP) site. Screened clear-sky irradiances and aerosol optical depth (AOD), for solar zenith angles ≤ 65°, are used to estimate clear-sky diffuse irradiances. We validate against detected clear-sky observations from SGP’s Basic Radiation System (BRS). BRS diffuse irradiances were in accordance with estimates, producing a root-mean-square error and mean bias errors of 4.0 W/m2 and -1.4 W/m2, respectively. Absolute differences show 99% of estimates within ±10 W/m2 (10%) of the mean BRS observations. Clear-sky diffuse estimates are used to derive quantitative estimates of aerosol radiative effects, represented as the aerosol diffuse irradiance (ADI). ADI is the contribution of diffuse SW to global SW, attributable to scattering of atmospheric transmission by natural plus anthropogenic aerosols. Estimated slope for the ADI as a function of AOD indicates an increase of ~22 W/m2 in diffuse SW for every 0.1 increase in AOD. Such significant increases in the diffuse fraction could possibly increase photosynthesis. Annual mean ADI is 28.2 W/m2, and heavy aerosol loading at SGP provides up to a maximum increase of 120 W/m2 in diffuse SW over background conditions. With regard to seasonal variation, the mean diffuse forcings are 17.2, 33.3, 39.0, and 23.6 W/m2 for winter, spring, summer, and fall, respectively.

  1. Direct observation of heat dissipation in individual suspended carbon nanotubes using a two-laser technique

    NASA Astrophysics Data System (ADS)

    Hsu, I.-Kai; Pettes, Michael T.; Aykol, Mehmet; Chang, Chia-Chi; Hung, Wei-Hsuan; Theiss, Jesse; Shi, Li; Cronin, Stephen B.

    2011-08-01

    A two-laser technique is used to investigate heat spreading along individual single walled carbon nanotube (SWCNT) bundles in vacuum and air environments. A 532 nm laser focused on the center of a suspended SWCNT bundle is used as a local heat source, and a 633 nm laser is used to measure the spatial temperature profile along the SWCNT bundle by monitoring the G band downshifts in the Raman spectra. A constant temperature gradient is observed when the SWCNT bundle is irradiated in vacuum, giving direct evidence of diffusive transport of the phonons probed by the Raman laser. In air, however, we observe an exponentially decaying temperature profile with a decay length of about 7 μm, due to heat dissipation from the SWCNT bundle to the surrounding gas molecules. The thermal conductivity of the suspended carbon nanotube (CNT) is determined from its electrical heating temperature profile as measured in vacuum and the nanotube bundle diameter measured via transmission electron microscopy. Based on the exponential decay curves measured in three different CNTs in air, the heat transfer coefficient between the SWCNTs and the surrounding air molecules is found to range from 1.5 × 103 to 7.9 × 104 W/m2 K, which is smaller than the 1 × 105 W/m2 K thermal boundary conductance value calculated using the kinetic theory of gases. This measurement is insensitive to the thermal contact resistance, as no temperature drops occur at the ends of the nanotube. It is also insensitive to errors in the calibration of the G band temperature coefficient. The optical absorption is also obtained from these results and is on the order of 10-5.

  2. Implications of directly observed therapy in tuberculosis control measures among IDUs.

    PubMed Central

    Curtis, R; Friedman, S R; Neaigus, A; Jose, B; Goldstein, M; Des Jarlais, D C

    1994-01-01

    Tuberculosis (TB) is a rapidly growing problem among injecting drug users (IDU), especially those infected with human immunodeficiency virus. The authors review IDUs' responses to current TB control strategies and discuss the implications of their findings for the proposed implementation of directly observed therapy (DOT), a method for ensuring that patients take prescribed medication. Field workers carried out 210 ethnographic interviews with 68 IDUs in a Brooklyn, NY, community during 1990-93. Case studies suggested that many IDUs are uninformed about TB and often misinformed about their personal TB status. Ethnographic interviews and observations indicated that the threat of TB-related involuntary detainment may lead IDUs to avoid TB diagnostic procedures, treatment for TB, or drug abuse treatment, and to avoid AIDS outreach workers and other health-related services. IDUs who tested positive for the purified protein derivative (PPD) of TB sometimes have left hospitals before definitive diagnoses were made, because of a perceived lack of respectful treatment, fear of detention, or lack of adequate methadone therapy to relieve the symptoms of withdrawal from drugs. Current TB diagnosis and treatment systems are, at best, inadequate. The threat of TB-related detention discourages some IDUs from seeking any type of health care. There is an urgent need to educate IDUs about TB and to educate and sensitize health care providers about the lifestyles of IDUs. DOT may help in servicing this difficult-to-serve population, particularly if techniques are incorporated that have been developed for other successful public health interventions for IDUs. PMID:8190855

  3. Build a Better Mouse: Directly-Observed Issues in Computer Use for Adults with SMI

    PubMed Central

    Black, Anne C.; Serowik, Kristin L.; Schensul, Jean J.; Bowen, Anne M.; Rosen, Marc I.

    2014-01-01

    Integrating information technology into healthcare has the potential to bring treatment to hard-to-reach people. Individuals with serious mental illness (SMI), however, may derive limited benefit from these advances in care because of lack of computer ownership and experience. To date, conclusions about the computer skills and attitudes of adults with SMI have been based primarily on self-report. In the current study, 28 psychiatric outpatients with co-occurring cocaine use were interviewed about their computer use and opinions, and 25 were then directly observed using task analysis and think aloud methods as they navigated a multi-component health informational website. Participants reported low rates of computer ownership and use, and negative attitudes towards computers. Self-reported computer skills were higher than demonstrated in the task analysis. However, some participants spontaneously expressed more positive attitudes and greater computer self-efficacy after navigating the website. Implications for increasing access to computer-based health information are discussed. PMID:22711454

  4. Direct Observation of Three-dimensional Electroconvective Vortices on a Charge Selective Surface

    NASA Astrophysics Data System (ADS)

    Kwak, Rhokyun; Han, Jongyoon; Lee, Taikjin; Kwak, Ho-Young

    2015-11-01

    We present a visualization of three-dimensional electroconvective vortices (EC) by ion concentration polarization (ICP) on a cation selective membrane. The vortices are initiated between two transparent Nafion membranes under no-shear/shear conditions with various applied voltages and flow velocities. Fluorescent imaging and spatial Fourier transform allow us to capture vortex structures. In this 3-D system, EC shows three distinguished structures: i) polygonal shapes with no-shear and ii) transverse and/or iii) longitudinal vortex rolls with shear flow, which is reminiscent of 3-D Rayleigh-Benard instability. Under shear flow, as flow velocity (Reynolds number: Re) increases or voltage (electric Rayleigh number: Ra) decreases, pure longitudinal vortices are presented; in the inverse case, transverse vortices are also formed. It is noteworthy that if we confine EC in quasi 2-D system with high Ra (>10,000), we obtain pure transverse vortices; high Ra induces chaotic EC in this 3-D system, instead of 2-D stable transverse vortices. To the best of our knowledge, this is the first direct observation of 3-D EC, which will occur in realistic electrochemical devices, e.g. electrodialysis.

  5. Direct observation of epitaxial organic film growth: temperature-dependent growth mechanisms and metastability.

    PubMed

    Marchetto, Helder; Schmidt, Thomas; Groh, Ullrich; Maier, Florian C; Lévesque, Pierre L; Fink, Rainer H; Freund, Hans-Joachim; Umbach, Eberhard

    2015-11-21

    The growth of the first ten layers of organic thin films on a smooth metallic substrate has been investigated in real-time using the model system PTCDA on Ag(111). The complex behaviour is comprehensively studied by electron microscopy, spectroscopy and diffraction in a combined PEEM/LEEM instrument revealing several new phenomena and yielding a consistent picture of this layer growth. PTCDA grows above room temperature in a Stranski-Krastanov mode, forming three-dimensional islands on a stable bi-layer, in competition with metastable 3rd and 4th layers. Around room temperature this growth mode changes into a quasi layer-by-layer growth, while at temperatures below about 250 K a Vollmer-Weber-like behaviour is observed. By means of laterally resolved soft X-ray absorption spectroscopy the orientation of all adsorbed molecules is found to be homogeneously flat lying on the surface, even during the growth process. The films grow epitaxially, showing long-range order with rotational domains. For the monolayer these domains could be directly analysed, showing an average size of several micrometers extending over substrate steps. PMID:26462749

  6. Direct observation of stick-slip movements of water nanodroplets induced by an electron beam.

    PubMed

    Mirsaidov, Utkur M; Zheng, Haimei; Bhattacharya, Dipanjan; Casana, Yosune; Matsudaira, Paul

    2012-05-01

    Dynamics of the first few nanometers of water at the interface are encountered in a wide range of physical, chemical, and biological phenomena. A simple but critical question is whether interfacial forces at these nanoscale dimensions affect an externally induced movement of a water droplet on a surface. At the bulk-scale water droplets spread on a hydrophilic surface and slip on a nonwetting, hydrophobic surface. Here we report the experimental description of the electron beam-induced dynamics of nanoscale water droplets by direct imaging the translocation of 10- to 80-nm-diameter water nanodroplets by transmission electron microscopy. These nanodroplets move on a hydrophilic surface not by a smooth flow but by a series of stick-slip steps. We observe that each step is preceded by a unique characteristic deformation of the nanodroplet into a toroidal shape induced by the electron beam. We propose that this beam-induced change in shape increases the surface free energy of the nanodroplet that drives its transition from stick to slip state. PMID:22517747

  7. Build a better mouse: directly-observed issues in computer use for adults with SMI.

    PubMed

    Black, Anne C; Serowik, Kristin L; Schensul, Jean J; Bowen, Anne M; Rosen, Marc I

    2013-03-01

    Integrating information technology into healthcare has the potential to bring treatment to hard-to-reach people. Individuals with serious mental illness (SMI), however, may derive limited benefit from these advances in care because of lack of computer ownership and experience. To date, conclusions about the computer skills and attitudes of adults with SMI have been based primarily on self-report. In the current study, 28 psychiatric outpatients with co-occurring cocaine use were interviewed about their computer use and opinions, and 25 were then directly observed using task analysis and think aloud methods as they navigated a multi-component health informational website. Participants reported low rates of computer ownership and use, and negative attitudes towards computers. Self-reported computer skills were higher than demonstrated in the task analysis. However, some participants spontaneously expressed more positive attitudes and greater computer self-efficacy after navigating the website. Implications for increasing access to computer-based health information are discussed. PMID:22711454

  8. Reliability of the direct observation of procedural skills assessment tool for ultrasound-guided regional anaesthesia.

    PubMed

    Chuan, A; Thillainathan, S; Graham, P L; Jolly, B; Wong, D M; Smith, N; Barrington, M J

    2016-03-01

    The Direct Observation of Procedural Skills (DOPS) form is used as a workplace-based assessment tool in the current Australian and New Zealand College of Anaesthetists curriculum. The objective of this study was to evaluate the reliability of DOPS when used to score trainees performing ultrasound-guided regional anaesthesia. Reliability of an assessment tool is defined as the reproducibility of scores given by different assessors viewing the same trainee. Forty-nine anaesthetists were recruited to score two scripted videos of trainees performing a popliteal sciatic nerve block and an axillary brachial plexus block. Reliability, as measured by intraclass correlation coefficients, was -0.01 to 0.43 for the individual items in DOPS, and 0.15 for the 'Overall Performance for this Procedure' item. Assessors demonstrated consistency of scoring within DOPS, with significant correlation of sum of individual item scores with the 'Overall Performance for this Procedure' item (r=0.78 to 0.80, P<0.001), and with yes versus no responses to the 'Was the procedure completed satisfactorily?' item (W=24, P=0.0004, Video 1, and W=65, P=0.003, Video 2). While DOPS demonstrated a good degree of internal consistency in this setting, inter-rater reliability did not reach levels generally recommended for formative assessment tools. Feasibility of the form could be improved by removing the 'Was the procedure completed satisfactorily?' item without loss of information. PMID:27029652

  9. Direct observations of ice seasonality reveal changes in climate over the past 320–570 years

    USGS Publications Warehouse

    Sharma, Sapna; Magnuson, John J.; Batt, Ryan D; Winslow, Luke; Korhonen, Johanna; Yasuyuki Aono

    2016-01-01

    Lake and river ice seasonality (dates of ice freeze and breakup) responds sensitively to climatic change and variability. We analyzed climate-related changes using direct human observations of ice freeze dates (1443–2014) for Lake Suwa, Japan, and of ice breakup dates (1693–2013) for Torne River, Finland. We found a rich array of changes in ice seasonality of two inland waters from geographically distant regions: namely a shift towards later ice formation for Suwa and earlier spring melt for Torne, increasing frequencies of years with warm extremes, changing inter-annual variability, waning of dominant inter-decadal quasi-periodic dynamics, and stronger correlations of ice seasonality with atmospheric CO2 concentration and air temperature after the start of the Industrial Revolution. Although local factors, including human population growth, land use change, and water management influence Suwa and Torne, the general patterns of ice seasonality are similar for both systems, suggesting that global processes including climate change and variability are driving the long-term changes in ice seasonality.

  10. Direct observation of solid-state reversed transformation from crystals to quasicrystals in a Mg alloy

    NASA Astrophysics Data System (ADS)

    Liu, Jian-Fang; Yang, Zhi-Qing; Ye, Heng-Qiang

    2015-06-01

    Phase transformation of quasicrystals is of interest in various fields of science and technology. Interestingly, we directly observed unexpected solid-state epitaxial nucleation and growth of Zn6Mg3Y icosahedral quasicrystals in a Mg alloy at about 573 K which is about 300 K below the melting point of Zn6Mg3Y, in contrast to formation of quasicrystals through solidification that was usually found in many alloys. Maximizing local packing density of atoms associated with segregation of Y and Zn in Mg adjacent to Mg/Zn3MgY interfaces triggered atomic rearrangement in Mg to form icosahedra coupled epitaxially with surface distorted icosahedra of Zn3MgY, which plays a critical role in the nucleation of icosahedral clusters. A local Zn:Mg:Y ratio close to 6:3:1, corresponding to a valence electron concentration of about 2.15, should have been reached to trigger the formation of quasicrystals at Mg/Zn3MgY interfaces. The solid-state icosahedral ordering in crystals opens a new window for growing quasicrystals and understanding their atomic origin mechanisms. Epitaxial growth of quasicrystals onto crystals can modify the surface/interface structures and properties of crystalline materials.

  11. The Age of the Directly Imaged Planet Host Star κ Andromedae Determined from Interferometric Observations

    NASA Astrophysics Data System (ADS)

    Jones, Jeremy; White, R. J.; Quinn, S.; Ireland, M.; Boyajian, T.; Schaefer, G.; Baines, E. K.

    2016-05-01

    κ Andromedae, an early-type star that hosts a directly imaged low-mass companion, is expected to be oblate due to its rapid rotational velocity (v sin i = ˜162 km s‑1). We observed the star with the CHARA Array’s optical beam combiner, PAVO, measuring its size at multiple orientations and determining its oblateness. The interferometric measurements, combined with photometry and this v sin i value are used to constrain an oblate star model that yields the fundamental properties of the star and finds a rotation speed that is ˜85% of the critical rate and a low inclination of ˜30°. Three modeled properties (the average radius, bolometric luminosity, and equatorial velocity) are compared to MESA evolution models to determine an age and mass for the star. In doing so, we determine an age for the system of {47}-40+27 Myr. Based on this age and previous measurements of the companion’s temperature, the BHAC15 evolution models imply a mass for the companion of {22}-9+8 M J.

  12. Comparison of advection and steam fogs: From direct observation over the sea

    NASA Astrophysics Data System (ADS)

    Heo, Ki-Young; Ha, Kyung-Ja; Mahrt, Larry; Shim, Jae-Seol

    2010-11-01

    Sea fog occurs frequently over the Yellow Sea in spring and summer, which causes costly or even catastrophic events including property damage, marine accidents, public health and financial losses. Case studies of advection and steam fogs using direct observation over the sea are constructed to better understand their formation, evolution and dissipation. A southerly wind supplies moisture to initiate advection fog events (AFs). Approximately -100 to -200 W m-2 of latent heat flux and -70 W m-2 of sensible heat flux during mature AFs are characterized with stable stratification which maintains dense fog by limiting downward mixing of dryer air. Steam fogs (SFs) develop from flow of cold air over warmer water, but are normally of limited persistence. During the SFs, a northerly wind decreases the air temperature below the sea surface temperature, which increases the relative humidity through evaporation from the warmer ocean. During mature SF, 360 W m-2 of latent heat flux and 150 W m-2 of sensible heat flux are characterized with neutral and unstable atmospheric conditions. The increase in wind speed and wind shear mixes dry air downward to the surface and limits the duration of the SF.

  13. Adherence to directly observed antiretroviral therapy among human immunodeficiency virus-infected prison inmates.

    PubMed

    Wohl, David A; Stephenson, Becky L; Golin, Carol E; Kiziah, C Nichole; Rosen, David; Ngo, Bich; Liu, Honghu; Kaplan, Andrew H

    2003-06-15

    Directly observed therapy (DOT) for human immunodeficiency virus (HIV) infection is commonly used in correctional settings; however, the efficacy of DOT for treating HIV infection has not been determined. We prospectively assessed adherence to antiretroviral therapy regimens among 31 HIV-infected prison inmates who were receiving >or=1 antiretrovirals via DOT. Adherence was measured by self-report, pill count, electronic monitoring caps, and, for DOT only, medication administration records. Overall, median adherence was 90%, as measured by pill count; 86%, by electronic monitoring caps; and 100%, by self-report. Adherence, as measured by electronic monitoring caps, was >90% in 32% of the subjects. In 91% of cases, adherence, as measured by medication administration records, was greater than that recorded by electronic monitoring caps for the same medications administered by DOT. Objective methods of measurement revealed that adherence to antiretroviral regimens administered wholly or in part by DOT was

  14. Direct observations of ice seasonality reveal changes in climate over the past 320-570 years.

    PubMed

    Sharma, Sapna; Magnuson, John J; Batt, Ryan D; Winslow, Luke A; Korhonen, Johanna; Aono, Yasuyuki

    2016-01-01

    Lake and river ice seasonality (dates of ice freeze and breakup) responds sensitively to climatic change and variability. We analyzed climate-related changes using direct human observations of ice freeze dates (1443-2014) for Lake Suwa, Japan, and of ice breakup dates (1693-2013) for Torne River, Finland. We found a rich array of changes in ice seasonality of two inland waters from geographically distant regions: namely a shift towards later ice formation for Suwa and earlier spring melt for Torne, increasing frequencies of years with warm extremes, changing inter-annual variability, waning of dominant inter-decadal quasi-periodic dynamics, and stronger correlations of ice seasonality with atmospheric CO2 concentration and air temperature after the start of the Industrial Revolution. Although local factors, including human population growth, land use change, and water management influence Suwa and Torne, the general patterns of ice seasonality are similar for both systems, suggesting that global processes including climate change and variability are driving the long-term changes in ice seasonality. PMID:27113125

  15. Direct observations of ice seasonality reveal changes in climate over the past 320–570 years

    NASA Astrophysics Data System (ADS)

    Sharma, Sapna; Magnuson, John J.; Batt, Ryan D.; Winslow, Luke A.; Korhonen, Johanna; Aono, Yasuyuki

    2016-04-01

    Lake and river ice seasonality (dates of ice freeze and breakup) responds sensitively to climatic change and variability. We analyzed climate-related changes using direct human observations of ice freeze dates (1443–2014) for Lake Suwa, Japan, and of ice breakup dates (1693–2013) for Torne River, Finland. We found a rich array of changes in ice seasonality of two inland waters from geographically distant regions: namely a shift towards later ice formation for Suwa and earlier spring melt for Torne, increasing frequencies of years with warm extremes, changing inter-annual variability, waning of dominant inter-decadal quasi-periodic dynamics, and stronger correlations of ice seasonality with atmospheric CO2 concentration and air temperature after the start of the Industrial Revolution. Although local factors, including human population growth, land use change, and water management influence Suwa and Torne, the general patterns of ice seasonality are similar for both systems, suggesting that global processes including climate change and variability are driving the long-term changes in ice seasonality.

  16. Direct observations of ice seasonality reveal changes in climate over the past 320–570 years

    PubMed Central

    Sharma, Sapna; Magnuson, John J.; Batt, Ryan D.; Winslow, Luke A.; Korhonen, Johanna; Aono, Yasuyuki

    2016-01-01

    Lake and river ice seasonality (dates of ice freeze and breakup) responds sensitively to climatic change and variability. We analyzed climate-related changes using direct human observations of ice freeze dates (1443–2014) for Lake Suwa, Japan, and of ice breakup dates (1693–2013) for Torne River, Finland. We found a rich array of changes in ice seasonality of two inland waters from geographically distant regions: namely a shift towards later ice formation for Suwa and earlier spring melt for Torne, increasing frequencies of years with warm extremes, changing inter-annual variability, waning of dominant inter-decadal quasi-periodic dynamics, and stronger correlations of ice seasonality with atmospheric CO2 concentration and air temperature after the start of the Industrial Revolution. Although local factors, including human population growth, land use change, and water management influence Suwa and Torne, the general patterns of ice seasonality are similar for both systems, suggesting that global processes including climate change and variability are driving the long-term changes in ice seasonality. PMID:27113125

  17. Direct observation of crystal growth from solution using optical investigation of a growing crystal face

    NASA Technical Reports Server (NTRS)

    Lal, Ravindra

    1994-01-01

    The first technical report for the period 1 Jan. 1993 till 31 Dec. 1993 for the research entitled, 'Direct observation of crystal growth from solution using Optical Investigation of a growing crystal Face' is presented. The work on the project did not start till 1 June 1993 due to the non-availability of the required personnel. The progress of the work during the period 1 June 1993 till the end of 1993 is described. Significant progress was made for testing various optical diagnostic techniques for monitoring crystal solution. Some of the techniques that are being tested are: heterodyne detection technique, in which changes in phase are measured as a interferometric function of time/crystal growth; a conventional technique, in which a fringe brightness is measured as a function of crystal growth/time; and a Mach-Zehnder interferometric technique in which a fringe brightness is measured as a function of time to obtain information on concentration changes. During the second year it will be decided to incorporate the best interferometric technique along with the ellipsometric technique, to obtain real time in-situ growth rate measurements. A laboratory mock-up of the first two techniques were made and tested.

  18. The first high resolution direct NMR observation of an f-block element

    SciTech Connect

    Avent, A.G.; Edelman, M.A.; Lappert, M.F.; Lawless, G.A. )

    1989-04-26

    The last decade has seen a dramatic increase in the importance of the organometallic chemistry of the lanthanide elements. In particular, iodides, cyclopentadienyls, and bis(trimethylsilyl)amides of Sm(II), Eu(II), or Yb(II), due to their unique reactivity (e.g., as selective reducing agents), have attracted much attention. Yet high resolution, solution-state NMR, one of the organometallic chemists most informative tools, has not previously been applied to the direct observation of an f-block element, excluding complexes of the f{sup 0} La(III). The reason for this neglect is probably because the majority of complexes (except those of La(III), Yb(II), and Lu(III)) are paramagnetic, and many of the NMR-active f-block nuclei have large quadrupole moments. Yet for certain of these elements spin-{1/2} isotopes exist, and the range of diamagnetic compounds is rapidly increasing. As a case in point, {sup 171}Yb is a spin-{1/2}nucleus, with a natural abundance of 14.27% and a moderately sized, positive gyromagnetic ratio (4.4712 {times} 10{sup 7} rad T{sup {minus}1} s{sup {minus}1}); these features combine to give a receptivity four times greater than that of {sup 13}C. Three solid-state, wide-line studies of this nucleus have appeared. The authors now report {sup 171}Yb chemical shift solution NMR data for the series of Yb(II) complexes.

  19. Direct observation of stick-slip movements of water nanodroplets induced by an electron beam

    PubMed Central

    Mirsaidov, Utkur M.; Zheng, Haimei; Bhattacharya, Dipanjan; Casana, Yosune; Matsudaira, Paul

    2012-01-01

    Dynamics of the first few nanometers of water at the interface are encountered in a wide range of physical, chemical, and biological phenomena. A simple but critical question is whether interfacial forces at these nanoscale dimensions affect an externally induced movement of a water droplet on a surface. At the bulk-scale water droplets spread on a hydrophilic surface and slip on a nonwetting, hydrophobic surface. Here we report the experimental description of the electron beam-induced dynamics of nanoscale water droplets by direct imaging the translocation of 10- to 80-nm-diameter water nanodroplets by transmission electron microscopy. These nanodroplets move on a hydrophilic surface not by a smooth flow but by a series of stick-slip steps. We observe that each step is preceded by a unique characteristic deformation of the nanodroplet into a toroidal shape induced by the electron beam. We propose that this beam-induced change in shape increases the surface free energy of the nanodroplet that drives its transition from stick to slip state. PMID:22517747

  20. Direct Observation of Intermediates Involved in the Interruption of the Bischler-Napieralski Reaction.

    PubMed

    White, Kolby L; Mewald, Marius; Movassaghi, Mohammad

    2015-08-01

    The first mechanistic investigation of electrophilic amide activation of α,α-disubstituted tertiary lactams and the direct observation of key intermediates by in situ FTIR, (1)H, (13)C, and (19)F NMR in our interrupted Bischler-Napieralski-based synthetic strategy to the aspidosperma alkaloids, including a complex tetracyclic diiminium ion, is discussed. The reactivity of a wide range of pyridines with trifluoromethanesulfonic anhydride was systematically examined, and characteristic IR absorption bands for the corresponding N-trifluoromethanesulfonylated pyridinium trifluoromethanesulfonates were assigned. The reversible formation of diiminium ether intermediates was studied, providing insight into divergent mechanistic pathways as a function of the steric environment of the amide substrate and stoichiometry of reagents. Importantly, when considering base additives during electrophilic amide activation, more hindered α-quaternary tertiary lactams require the use of non-nucleophilic pyridine additives in order to avoid deactivation via a competing desulfonylation reaction. The isolation and full characterization of a tetracyclic iminium trifluoromethanesulfonate provided additional correlation between in situ characterization of sensitive intermediates and isolable compounds involved in this synthetic transformation. PMID:26166404

  1. Directly observed treatment, short-course strategy and multidrug-resistant tuberculosis: are any modifications required?

    PubMed Central

    Bastian, I.; Rigouts, L.; Van Deun, A.; Portaels, F.

    2000-01-01

    Multidrug-resistant tuberculosis (MDRTB) should be defined as tuberculosis with resistance to at least isoniazid and rifampicin because these drugs are the cornerstone of short-course chemotherapy, and combined isoniazid and rifampicin resistance requires prolonged treatment with second-line agents. Short-course chemotherapy is a key ingredient in the tuberculosis control strategy known as directly observed treatment, short-course (DOTS). For populations in which multidrug-resistant tuberculosis is endemic, the outcome of the standard short-course chemotherapy regimen remains uncertain. Unacceptable failure rates have been reported and resistance to additional agents may be induced. As a consequence there have been calls for well-functioning DOTS programmes to provide additional services in areas with high rates of multidrug-resistant tuberculosis. These "DOTS-plus for MDRTB programmes" may need to modify all five elements of the DOTS strategy: the treatment may need to be individualized rather than standardized; laboratory services may need to provide facilities for on-site culture and antibiotic susceptibility testing; reliable supplies of a wide range of expensive second-line agents would have to be supplied; operational studies would be required to determine the indications for and format of the expanded programmes; financial and technical support from international organizations and Western governments would be needed in addition to that obtained from local governments. PMID:10743297

  2. Excitable dendrites and spines: earlier theoretical insights elucidate recent direct observations.

    PubMed

    Segev, I; Rall, W

    1998-11-01

    Important advances in experimental methods have made it possible to measure the electrical events in dendrites directly and to record optically from dendritic spines. These new techniques allow us to focus on the input region of the neuron and highlight the excitable properties of the dendritic membrane. Interestingly, some of the recent experimental findings were anticipated by earlier theoretical research, for example, the observation that some spines possess excitable channels that might generate local all-or-none events. Computer models were used previously to explore the conditions for initiating an action potential at the dendritic tree, in particular, at the spine head, and for active propagation between excitable spines and excitable dendritic arbors. The consequences for synaptic amplification, for the extent of active spread in the tree and for non-linear discriminations between different patterns of synaptic inputs were also considered. Here we review the biophysical insights gained from the theory and demonstrate how these elucidate the recent experimental results. PMID:9829684

  3. The Age of the Directly Imaged Planet Host Star κ Andromedae Determined from Interferometric Observations

    NASA Astrophysics Data System (ADS)

    Jones, Jeremy; White, R. J.; Quinn, S.; Ireland, M.; Boyajian, T.; Schaefer, G.; Baines, E. K.

    2016-05-01

    κ Andromedae, an early-type star that hosts a directly imaged low-mass companion, is expected to be oblate due to its rapid rotational velocity (v sin i = ∼162 km s‑1). We observed the star with the CHARA Array’s optical beam combiner, PAVO, measuring its size at multiple orientations and determining its oblateness. The interferometric measurements, combined with photometry and this v sin i value are used to constrain an oblate star model that yields the fundamental properties of the star and finds a rotation speed that is ∼85% of the critical rate and a low inclination of ∼30°. Three modeled properties (the average radius, bolometric luminosity, and equatorial velocity) are compared to MESA evolution models to determine an age and mass for the star. In doing so, we determine an age for the system of {47}-40+27 Myr. Based on this age and previous measurements of the companion’s temperature, the BHAC15 evolution models imply a mass for the companion of {22}-9+8 M J.

  4. Direct Observation of Intermediates Involved in the Interruption of the Bischler–Napieralski Reaction

    PubMed Central

    White, Kolby L.; Mewald, Marius; Movassaghi, Mohammad

    2015-01-01

    The first mechanistic investigation of electrophilic amide activation of α,α-disubstituted tertiary lactams and the direct observation of key intermediates by in situ FTIR, 1H, 13C, and 19F NMR in our interrupted Bischler–Napieralski based synthetic strategy to the aspidosperma alkaloids, including a complex tetracyclic diiminium ion, is discussed. The reactivity of a wide range of pyridines with trifluoromethanesulfonic anhydride was systematically examined, and characteristic IR absorption bands for the corresponding N-trifluoromethanesulfonylated pyridinium trifluoromethanesulfonates were assigned. The reversible formation of diiminium ether intermediates was studied, providing insight into divergent mechanistic pathways as a function of the steric environment of the amide substrate and stoichiometry of reagents. Importantly, when considering base additives during electrophilic amide activation, more hindered α-quaternary tertiary lactams require the use of non-nucleophilic pyridine additives in order to avoid deactivation via a competing desulfonylation reaction. The isolation and full characterization of a tetracyclic iminium trifluoromethanesulfonate provided additional correlation between in situ characterization of sensitive intermediates and isolable compounds involved in this synthetic transformation. PMID:26166404

  5. Direct observation of family management: validity and reliability as a function of coder ethnicity and training.

    PubMed

    Yasui, Miwa; Dishion, Thomas J

    2008-12-01

    This study examines the influence of coder ethnicity on the validity and reliability of direct observations of family management. Eight coders, 4 European American (EA) and 4 African American (AA), were randomly assigned to conduct behavior ratings of videotaped family interactions of European American and African American families, under two conditions: untrained and trained. Results indicated statistical differences between EA and AA coder ratings of family management practices across both untrained and trained conditions, suggesting the presence of ethnocentric perceptions of coders. Specifically, EA coders tended to rate AA families as exhibiting poorer family management skills compared with those of EA families. AA coder ratings for EA and for AA families showed no statistical differences. Although not statistically significant, posttraining coding results indicated a trend toward decreased differences among coder perceptions, especially in improving the validity and reliability of EA coder ratings of AA families. These findings are discussed with respect to recommendations for cross-cultural research as well as general theories of ethnic socialization. PMID:19027430

  6. Direct nuclear magnetic resonance observation of odorant binding to mouse odorant receptor MOR244-3.

    PubMed

    Burger, Jessica L; Jeerage, Kavita M; Bruno, Thomas J

    2016-06-01

    Mammals are able to perceive and differentiate a great number of structurally diverse odorants through the odorant's interaction with odorant receptors (ORs), proteins found within the cell membrane of olfactory sensory neurons. The natural gas industry has used human olfactory sensitivity to sulfur compounds (thiols, sulfides, etc.) to increase the safety of fuel gas transport, storage, and use through the odorization of this product. In the United States, mixtures of sulfur compounds are used, but the major constituent of odorant packages is 2-methylpropane-2-thiol, also known as tert-butyl mercaptan. It has been fundamentally challenging to understand olfaction and odorization due to the low affinity of odorous ligands to the ORs and the difficulty in expressing a sufficient number of OR proteins. Here, we directly observed the binding of tert-butyl mercaptan and another odiferous compound, cis-cyclooctene, to mouse OR MOR244-3 on living cells by saturation transfer difference (STD) nuclear magnetic resonance (NMR) spectroscopy. This effort lays the groundwork for resolving molecular mechanisms responsible for ligand binding and resulting signaling, which in turn will lead to a clearer understanding of odorant recognition and competition. PMID:27019154

  7. Directly observing the motion of DNA molecules near solid-state nanopores.

    PubMed

    Ando, Genki; Hyun, Changbae; Li, Jiali; Mitsui, Toshiyuki

    2012-11-27

    We investigate the diffusion and the drift motion of λ DNA molecules near solid-state nanopores prior to their translocation through the nanopores using fluorescence microscopy. The radial dependence of the electric field near a nanopore generated by an applied voltage in ionic solution can be estimated quantitatively in 3D by analyzing the motion of negatively charged DNA molecules. We find that the electric field is approximately spherically symmetric around the nanopore under the conditions investigated. In addition, DNA clogging at the nanopore was directly observed. Surprisingly, the probability of the clogging event increases with increasing external bias voltage. We also find that DNA molecules clogging the nanopore reduce the electric field amplitude at the nanopore membrane surface. To better understand these experimental results, analytical method with Ohm's law and computer simulation with Poisson and Nernst-Planck (PNP) equations are used to calculate the electric field near the nanopore. These results are of great interest in both experimental and theoretical considerations of the motion of DNA molecules near voltage-biased nanopores. These findings will also contribute to the development of solid-state nanopore-based DNA sensing devices. PMID:23046052

  8. Direct Observation of a Carbon Filament in Water-Resistant Organic Memory.

    PubMed

    Lee, Byung-Hyun; Bae, Hagyoul; Seong, Hyejeong; Lee, Dong-Il; Park, Hongkeun; Choi, Young Joo; Im, Sung-Gap; Kim, Sang Ouk; Choi, Yang-Kyu

    2015-07-28

    The memory for the Internet of Things (IoT) requires versatile characteristics such as flexibility, wearability, and stability in outdoor environments. Resistive random access memory (RRAM) to harness a simple structure and organic material with good flexibility can be an attractive candidate for IoT memory. However, its solution-oriented process and unclear switching mechanism are critical problems. Here we demonstrate iCVD polymer-intercalated RRAM (i-RRAM). i-RRAM exhibits robust flexibility and versatile wearability on any substrate. Stable operation of i-RRAM, even in water, is demonstrated, which is the first experimental presentation of water-resistant organic memory without any waterproof protection package. Moreover, the direct observation of a carbon filament is also reported for the first time using transmission electron microscopy, which puts an end to the controversy surrounding the switching mechanism. Therefore, reproducibility is feasible through comprehensive modeling. Furthermore, a carbon filament is superior to a metal filament in terms of the design window and selection of the electrode material. These results suggest an alternative to solve the critical issues of organic RRAM and an optimized memory type suitable for the IoT era. PMID:26056735

  9. Direct observation of solid-state reversed transformation from crystals to quasicrystals in a Mg alloy

    PubMed Central

    Liu, Jian-Fang; Yang, Zhi-Qing; Ye, Heng-Qiang

    2015-01-01

    Phase transformation of quasicrystals is of interest in various fields of science and technology. Interestingly, we directly observed unexpected solid-state epitaxial nucleation and growth of Zn 6 Mg 3 Y icosahedral quasicrystals in a Mg alloy at about 573 K which is about 300 K below the melting point of Zn 6 Mg 3 Y, in contrast to formation of quasicrystals through solidification that was usually found in many alloys. Maximizing local packing density of atoms associated with segregation of Y and Zn in Mg adjacent to Mg/Zn 3 MgY interfaces triggered atomic rearrangement in Mg to form icosahedra coupled epitaxially with surface distorted icosahedra of Zn 3 MgY, which plays a critical role in the nucleation of icosahedral clusters. A local Zn:Mg:Y ratio close to 6:3:1, corresponding to a valence electron concentration of about 2.15, should have been reached to trigger the formation of quasicrystals at Mg/Zn 3 MgY interfaces. The solid-state icosahedral ordering in crystals opens a new window for growing quasicrystals and understanding their atomic origin mechanisms. Epitaxial growth of quasicrystals onto crystals can modify the surface/interface structures and properties of crystalline materials. PMID:26066096

  10. Direct Observation of Reversible Electronic Energy Transfer Involving an Iridium Center

    PubMed Central

    2014-01-01

    A cyclometalated iridium complex is reported where the core complex comprises naphthylpyridine as the main ligand and the ancillary 2,2′-bipyridine ligand is attached to a pyrene unit by a short alkyl bridge. To obtain the complex with satisfactory purity, it was necessary to modify the standard synthesis (direct reaction of the ancillary ligand with the chloro-bridged iridium dimer) to a method harnessing an intermediate tetramethylheptanolate-based complex, which was subjected to acid-promoted removal of the ancillary ligand and subsequent complexation. The photophysical behavior of the bichromophoric complex and a model complex without the pendant pyrene were studied using steady-state and time-resolved spectroscopies. Reversible electronic energy transfer (REET) is demonstrated, uniquely with an emissive cyclometalated iridium center and an adjacent organic chromophore. After excited-state equilibration is established (5 ns) as a result of REET, extremely long luminescence lifetimes of up to 225 μs result, compared to 8.3 μs for the model complex, without diminishing the emission quantum yield. As a result, remarkably high oxygen sensitivity is observed in both solution and polymeric matrices. PMID:24555716

  11. Direct spectroscopic observation of ion deceleration accompanying laser plasma-wall interaction

    NASA Astrophysics Data System (ADS)

    Renner, O.; Krouský, E.; Liska, R.; Šmíd, M.; Larroche, O.; Dalimier, E.; Rosmej, F. B.

    2010-08-01

    Interactions of plasma jets with solid surfaces are extensively studied in context with development of future fusion devices. In experiments carried out on the iodine laser system PALS, the energetic ions were produced at double-foil Al/Mg targets irradiated by one or two counter-propagating laser beams. The plasma jets from the rear surface of the laser-exploded Al foil streamed towards the Mg target representing the wall preheated by the action of the high-energy photons, particle and/or laser beams. Instead of being trapped by the cold secondary-target material, the forward-accelerated Al ions collided with the counter-propagating matter ejected from the wall. The environmental conditions in near-wall plasmas were analyzed with the high-resolution x-ray spectroscopy and temporally-resolved x-ray imaging. The deceleration of the incident Al ions in the near-wall region was directly observed and quantitatively characterized via Doppler shifts of the J-satellite from the Al Lya spectral group. The interaction scenario was modelled using the 2D arbitrary Lagrangian Eulerian hydrocode PALE and the multifluid code MULTIF.

  12. Direct observation of solid-state reversed transformation from crystals to quasicrystals in a Mg alloy.

    PubMed

    Liu, Jian-Fang; Yang, Zhi-Qing; Ye, Heng-Qiang

    2015-01-01

    Phase transformation of quasicrystals is of interest in various fields of science and technology. Interestingly, we directly observed unexpected solid-state epitaxial nucleation and growth of Zn6Mg3Y icosahedral quasicrystals in a Mg alloy at about 573 K which is about 300 K below the melting point of Zn6Mg3Y, in contrast to formation of quasicrystals through solidification that was usually found in many alloys. Maximizing local packing density of atoms associated with segregation of Y and Zn in Mg adjacent to Mg/Zn3MgY interfaces triggered atomic rearrangement in Mg to form icosahedra coupled epitaxially with surface distorted icosahedra of Zn3MgY, which plays a critical role in the nucleation of icosahedral clusters. A local Zn:Mg:Y ratio close to 6:3:1, corresponding to a valence electron concentration of about 2.15, should have been reached to trigger the formation of quasicrystals at Mg/Zn3MgY interfaces. The solid-state icosahedral ordering in crystals opens a new window for growing quasicrystals and understanding their atomic origin mechanisms. Epitaxial growth of quasicrystals onto crystals can modify the surface/interface structures and properties of crystalline materials. PMID:26066096

  13. The Stochastic Engine Initiative: Improving Prediction of Behavior in Geologic Environments We Cannot Directly Observe

    SciTech Connect

    Aines, R; Nitao, J; Newmark, R; Carle, S; Ramirez, A; Harris, D; Johnson, J; Johnson, V; Ermak, D; Sugiyama, G; Hanley, W; Sengupta, S; Daily, W; Glaser, R; Dyer, K; Fogg, G; Zhang, Y; Yu, Z; Levine, R

    2002-05-09

    The stochastic engine uses modern computational capabilities to combine simulations with observations. We integrate the general knowledge represented by models with specific knowledge represented by data, using Bayesian inferencing and a highly efficient staged Metropolis-type search algorithm. From this, we obtain a probability distribution characterizing the likely configurations of the system consistent with existing data. The primary use will be optimizing knowledge about the configuration of a system for which sufficient direct observations cannot be made. Programmatic applications include underground systems ranging from environmental contamination to military bunkers, optimization of complex nonlinear systems, and timely decision-making for complex, hostile environments such as battlefields or the detection of secret facilities. We create a stochastic ''base representation'' of system configurations (states) from which the values of measurable parameters can be calculated using forward simulators. Comparison of these predictions to actual measurements drives embedded Bayesian inferencing, updating the distributions of states in the base representation using the Metropolis method. Unlike inversion methods that generate a single bestcase deterministic solution, this method produces all the likely solutions, weighted by their likelihoods. This flexible method is best applied to highly non-linear, multi-dimensional problems. Staging of the Metropolis searches permits us to run the simplest model systems, such as lithology estimators, at the lower stages. The majority of possible configurations are thus eliminated from further consideration by more complex simulators, such as flow and transport models. Because the method is fully automated, large data sets of a variety of types can be used to refine the system configurations. The most important prerequisites for optimal use of this method are well-characterized forward simulators, realistic base representations

  14. Structure of HIV-1 capsid assemblies by cryo-electron microscopy and iterative helical real-space reconstruction.

    PubMed

    Meng, Xin; Zhao, Gongpu; Zhang, Peijun

    2011-01-01

    Cryo-electron microscopy (cryo-EM), combined with image processing, is an increasingly powerful tool for structure determination of macromolecular protein complexes and assemblies. In fact, single particle electron microscopy and two-dimensional (2D) electron crystallography have become relatively routine methodologies and a large number of structures have been solved using these methods. At the same time, image processing and three-dimensional (3D) reconstruction of helical objects has rapidly developed, especially, the iterative helical real-space reconstruction (IHRSR) method, which uses single particle analysis tools in conjunction with helical symmetry. Many biological entities function in filamentous or helical forms, including actin filaments, microtubules, amyloid fibers, tobacco mosaic viruses, and bacteria flagella, and, because a 3D density map of a helical entity can be attained from a single projection image, compared to the many images required for 3D reconstruction of a non-helical object, with the IHRSR method, structural analysis of such flexible and disordered helical assemblies is now attainable. In this video article, we provide detailed protocols for obtaining a 3D density map of a helical protein assembly (HIV-1 capsid is our example), including protocols for cryo-EM specimen preparation, low dose data collection by cryo-EM, indexing of helical diffraction patterns, and image processing and 3D reconstruction using IHRSR. Compared to other techniques, cryo-EM offers optimal specimen preservation under near native conditions. Samples are embedded in a thin layer of vitreous ice, by rapid freezing, and imaged in electron microscopes at liquid nitrogen temperature, under low dose conditions to minimize the radiation damage. Sample images are obtained under near native conditions at the expense of low signal and low contrast in the recorded micrographs. Fortunately, the process of helical reconstruction has largely been automated, with the

  15. 49 CFR 40.67 - When and how is a directly observed collection conducted?

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... other specimen. (g) As the collector, you must ensure that the observer is the same gender as the employee. You must never permit an opposite gender person to act as the observer. The observer can be a... else is to observe the collection (e.g., in order to ensure a same gender observer), you must...

  16. Direct nano-scale observations of CO2 sequestration during brucite (Mg(OH)2) dissolution

    NASA Astrophysics Data System (ADS)

    Hövelmann, J.; Putnis, C. V.; Austrheim, H.; Ruiz-Agudo, E.

    2012-04-01

    Mineralization of CO2 is regarded as the safest and most permanent option for carbon sequestration (e.g., O'Connor et al. 2005). So far, research has been concentrated on the carbonation of silicates such as olivine ((Mg,Fe)2SiO4) and serpentine (Mg3Si2O5(OH)4). However, also the less common hydroxide mineral brucite (Mg(OH)2) has recently become a focus of interest, owing to its much higher reactivity relative to silicate minerals at low temperature and P CO2 conditions(e.g., Zhao et al. 2010; Schaef et al. 2011). Utilization of brucite for carbon sequestration requires an in-depth understanding of the associated reaction mechanisms from the macro- to the nano-scale. Therefore, we have conducted a series of in-situ and ex-situ Atomic Force Microscopy (AFM) experiments enabling direct nano-scale observations of dissolution and precipitation features on brucite (001) cleavage surfaces. In particular, we tested the effects of pH (2-12), aqueous NaHCO3 concentration (1μM - 1M) and P CO2 (0-1 bar) on brucite dissolution and carbonation. Brucite dissolution proceeded by the formation and spreading of etch pits with equilateral triangular shapes. Measured etch pit spreading rates increased with decreasing pH (from 0.030±0.008 nm/s at pH 9 to 0.70±0.07 nm/s at pH 2) and increasing NaHCO3 concentration (from 0.038±0.004 nm/s in 1μM to 0.38±0.07 nm/s in 1M solution). In pure NaHCO3 solutions (pH 7.2-9.3) secondary phase precipitation was relatively minor. Enhanced precipitation was observed in slightly acidified NaHCO3 solutions (pH 5) as well as in solutions that were equilibrated with 1 bar CO2 (pH 4). Nucleation predominantly occurred in areas of high dissolution such as larger step edges. Initially, nucleating particles were only 1-2 nm and weakly attached to the brucite surface as they could be easily pushed away by the scanning tip during in-situ AFM experiments. Growth of the particles was observed after ex-situ AFM experiments lasting for several hours. The

  17. A direct observation the asteroid's structure from deep interior to regolith: why and how do it?

    NASA Astrophysics Data System (ADS)

    Herique, A.; Kofman, W. W.

    2013-12-01

    The internal structure of asteroids is still poorly known and has never been measured directly. Our knowledge is relying entirely on inferences from remote sensing observations of the surface, and theoretical modeling. Is the body a monolithic piece of rock or a rubble-pile, an aggregate of boulders held together by gravity and how much porosity it contains, both in the form of micro-scale or macro-scale porosity? What is the typical size of the constituent blocs? Are these blocs homogeneous or heterogeneous? Is the body a defunct or dormant comet and such MBC can become active? The body is covered by a regolith from whose properties remains largely unknown in term of depth, size distribution and spatial variation. Is resulting from fine particles re-accretion or from thermal fracturing? What are its coherent forces? How to model is thermal conductivity while this parameter is so important to estimate Yarkowsky and Yorp effects? Knowing asteroid deep interior and regolith structure is a key point for a better understanding of the asteroid accretion and dynamical evolution. There is no way to determine this from ground-based observation. Radar operating from a spacecraft is the only technique capable of achieving this science objective of characterizing the internal structure and heterogeneity from submetric to global scale for the science benefit as well as for the planetary defence and human exploration. The deep interior structure tomography requires low-frequency radar to penetrate throughout the complete body. The radar wave propagation delay and the received power are related to the complex dielectric permittivity (i.e to the composition and microporosity) and the small scale heterogeneities (scattering losses) while the spatial variation of the signal and the multiple paths provide information on the presence of heterogeneities (variations in composition or porosity), layers, ice lens. A partial coverage will provide "cuts" of the body when a dense coverage

  18. Direct Observation, Molecular Structure, and Location of Oxidation Debris on Graphene Oxide Nanosheets.

    PubMed

    Chen, Xiaoxiao; Chen, Baoliang

    2016-08-16

    The presence of oxidation debris (OD) complicates the structures and properties of graphene oxide (GO) nanosheets, thereby impacting their potential applications. However, the origin of OD is still in dispute. Moreover, characterizing the structure and location of supposed OD on nanosheets of GO produced during the oxidation process is difficult. Herein, the attached state and size of OD on graphene oxide nanosheets were directly observed using HRTEM, the molecular structure of OD was initially proposed based on the spectroscopic characterization and Q-TOF mass spectrometry, and the locations of OD on the GO nanosheets were detected through the adsorption of probe molecules onto as-prepared GO (a-GO) and base-washed GO (bw-GO). The results indicated that OD possesses a highly crystalline structure and can be defined as several nanometre-sized polyaromatic molecules with a considerable number of oxygen-containing functional groups attached on the edges. The dark nanodot seated on a-GO was clearly observed in the HRTEM images, whereas it appeared as a clean nanosheet in the image of bw-GO, indicating that OD is removed by base-washing treatment. Following the base-washing treatment, the contents of carboxyl groups on bw-GO unexpectedly increased and subsequently contributed to the desorption of OD from a-GO due to the electrostatic repulsion being stronger than primary π-π interactions. Compared with a-GO, the adsorption of phenanthrene, as an aromatic probe, onto bw-GO increased by 6-fold via π-π stacking interactions, whereas the increase in the adsorption of m-dinitrobenzene, as a defect probe, was not as remarkable as that of phenanthrene. Reasonably, the OD nanoparticles were primarily located at the sp(2) structures on the GO nanosheets through π-π interactions rather than attached on defects/edges. The insights regarding the existence, molecular structures and attached sites of OD nanoparticles on GO nanosheets provide a theoretical basis for preparing

  19. The Photochemical Reflectance Index from Directional Cornfield Reflectances: Observations and Simulations

    NASA Technical Reports Server (NTRS)

    Cheng, Yen-Ben; Middleton, Elizabeth M.; Zhang, Qingyuan; Corp, Lawrence A.; Dandois, Jonathan; Kustas, William P.

    2012-01-01

    The two-layer Markov chain Analytical Canopy Reflectance Model (ACRM) was linked with in situ hyperspectral leaf optical properties to simulate the Photochemical Reflectance Index (PRI) for a corn crop canopy at three different growth stages. This is an extended study after a successful demonstration of PRI simulations for a cornfield previously conducted at an early vegetative growth stage. Consistent with previous in situ studies, sunlit leaves exhibited lower PRI values than shaded leaves. Since sunlit (shaded) foliage dominates the canopy in the reflectance hotspot (coldspot), the canopy PRI derived from field hyperspectral observations displayed sensitivity to both view zenith angle and relative azimuth angle at all growth stages. Consequently, sunlit and shaded canopy sectors were most differentiated when viewed along the azimuth matching the solar principal plane. These directional PRI responses associated with sunlit/shaded foliage were successfully reproduced by the ACRM. As before, the simulated PRI values from the current study were closer to in situ values when both sunlit and shaded leaves were utilized as model input data in a two-layer mode, instead of a one-layer mode with sunlit leaves only. Model performance as judged by correlation between in situ and simulated values was strongest for the mature corn crop (r = 0.87, RMSE = 0.0048), followed by the early vegetative stage (r = 0.78; RMSE = 0.0051) and the early senescent stage (r = 0.65; RMSE = 0.0104). Since the benefit of including shaded leaves in the scheme varied across different growth stages, a further analysis was conducted to investigate how variable fractions of sunlit/shaded leaves affect the canopy PRI values expected for a cornfield, with implications for 20 remote sensing monitoring options. Simulations of the sunlit to shaded canopy ratio near 50/50 +/- 10 (e.g., 60/40) matching field observations at all growth stages were examined. Our results suggest in the importance of the

  20. Direct observation of phase transitions: in situ diffraction measurements at the crystal scale

    NASA Astrophysics Data System (ADS)

    Bernier, J. V.; Barton, N. R.; Farber, D.; Wenk, H.; Kunz, M.; Lienert, U.

    2012-12-01

    Phase transitions often display determinate crystallographic orientation relationships between parent and symmetrically degenerate daughter domains. Preferred variant selection and orientation memory under the influence of deviatoric stress are the 'fingerprints' of the transformation mechanism, driving force, and microstructure. For the α-ɛ transition in iron - significant to the structure and anisotropy of the Earth's inner core - these have been studied primarily by texture analysis of polycrystalline powders; the convoluted nature of these data, however, render it essentially impossible to examine variant selection, and even precise orientation relationships themselves. Recently developed X-ray diffraction techniques have made it possible to answer these questions. Results from two measurements are presented. First, heterogeneous variant selection was observed and the specific α/ɛ orientation relationship was determined under quasi-static loading using High Energy Diffraction Microscopy at beamline 1-ID of APS-ANL. Second, the spatial heterogeneity and mutual exclusivity among ɛ variants was observed at the incipient transition using the Laue μ-diffraction technique at beamline 12.3.2. of ALS-LBNL. In both cases, a 60x25μm single crystal of iron was pressurized in a DAC and measured before and after the α-ɛ transition at 13GPa. In the HEDM experiment, spatial resolution is sacrificed for domain-averaged orientation and strain resoltuion, making it possible to quantify the magnitude of the applied deviatoric stress in situ. In the Laue μ-Diffraction technique, the local lattice orientations are mapped with 1μm resolution, displaying marked spatial variation. These pilot experiments open new possibilities for investigating high pressure/high temperature transformations in situ. By mapping both orientations and lattice strains, the nature of the mechanisms and driving forces can be illuminated. This work was performed under the auspices of the U

  1. Unimolecular thermal decomposition of phenol and d5-phenol: Direct observation of cyclopentadiene formation via cyclohexadienone

    NASA Astrophysics Data System (ADS)

    Scheer, Adam M.; Mukarakate, Calvin; Robichaud, David J.; Nimlos, Mark R.; Carstensen, Hans-Heinrich; Barney Ellison, G.

    2012-01-01

    The pyrolyses of phenol and d5-phenol (C6H5OH and C6D5OH) have been studied using a high temperature, microtubular (μtubular) SiC reactor. Product detection is via both photon ionization (10.487 eV) time-of-flight mass spectrometry and matrix isolation infrared spectroscopy. Gas exiting the heated reactor (375 K-1575 K) is subject to a free expansion after a residence time in the μtubular reactor of approximately 50-100 μs. The expansion from the reactor into vacuum rapidly cools the gas mixture and allows the detection of radicals and other highly reactive intermediates. We find that the initial decomposition steps at the onset of phenol pyrolysis are enol/keto tautomerization to form cyclohexadienone followed by decarbonylation to produce cyclopentadiene; C6H5OH → c-C6H6 = O → c-C5H6 + CO. The cyclopentadiene loses a H atom to generate the cyclopentadienyl radical which further decomposes to acetylene and propargyl radical; c-C5H6 → c-C5H5 + H → HC≡CH + HCCCH2. At higher temperatures, hydrogen loss from the PhO-H group to form phenoxy radical followed by CO ejection to generate the cyclopentadienyl radical likely contributes to the product distribution; C6H5O-H → C6H5O + H → c-C5H5 + CO. The direct decarbonylation reaction remains an important channel in the thermal decomposition mechanisms of the dihydroxybenzenes. Both catechol (o-HO-C6H4-OH) and hydroquinone (p-HO-C6H4-OH) are shown to undergo decarbonylation at the onset of pyrolysis to form hydroxycyclopentadiene. In the case of catechol, we observe that water loss is also an important decomposition channel at the onset of pyrolysis.

  2. Rates of ingestion and their variability between individual calanoid copepods: Direct observations

    SciTech Connect

    Paffenhoefer, G.A.; Lewis, K.D.; Bundy, M.H. |; Metz, C.

    1995-12-01

    The goals of this study were to determine rates of ingestion and fecal pellet release, and their variability, for individual planktonic copepods over extended periods of time (>20 min). Ingestions and rejections of individual cells of the diatom Thalassiosira eccentrica by a adult females of the calanoid Paracalanus aculeatus were directly quantified by observing individual copepods continuously at cell concentrations ranging from 0.1 to 1.2 mm{sup 3} l{sup {minus}1}. Average ingestion rates increased with increasing food concentration, but were not significantly different between 0.3 and 1.0 mm{sup 3} l{sup {minus}1} (9.8 and 32.7 {mu}g Cl{sup {minus}1}) of T.eccentrica. Rates of cell rejections were low and similar at 0.1 and 0.3. but were significantly higher at 1.0 mm{sup 3} l{sup {minus}1}. The coefficients of variation for average ingestion rates of individual copepods hardly differed between food concentrations, ranging from 17 to 22%, and were close to those for average fecal pellet release intervals which ranged from 15 to 21%. A comparison between individuals at each food concentration found no significant differences at 1.0; at 0.1 and 0.3 mm{sup 3} l{sup {minus}1}, respectively, ingestion rates of four out of five females did not differ significantly from each other. Average intervals between fecal pellet releases were similar at 0.3 and 1.0 mm{sup 3} l{sup {minus}1}. Fecal pellet release intervals between individuals were significantly different at each food concentration; these significant differences were attributed to rather narrow ranges of pellet release intervals of each individual female. Potential sources/causes of variability in the sizes and rates of copepods in the ocean are evaluated.

  3. The New Worlds Observer: An Optimal Path to Direct Study of Earth-like Planets

    NASA Astrophysics Data System (ADS)

    Cash, Webster C., Jr.; New Worlds Study Team

    2009-01-01

    Direct detection and spectroscopic study of the planets around the nearby stars is generally recognized as a prime goal of astronomy. The New Worlds Observer mission concept is being studied as an Astrophysics Strategic Mission Concept Study for this purpose. NWO features two spacecraft: a general purpose 4m telescope that operates from the UV to the Near IR, and a starshade, a flower-shaped occulter about 50m in diameter flying in alignment about 70,000km away. Our study shows this is the most effective way to map nearby planetary systems. In this poster we will show that NWO can return much more science than any of the competing approaches at any given price point. Images will show dust and debris down to a fraction of our zodiacal light level. Planets fainter than the Earth can be seen from the Habitable Zone outward, at distances up to 20pc. High throughput and low noise enable immediate follow-up spectroscopy of discovered planets. NWO can discover many more Earth-like planets than all competing approaches including astrometric, interferometric, and internal coronagraphic. Within hours of discovery, a high quality spectrum can determine the true nature of the exoplanet and open the search for biomarkers and life. Over half of the time will be spent with the starshade in transit to the next target. During those times the telescope will be available to for general astrophysics purposes. Operating from the ultraviolet to the near infrared, this will be a true HST follow-on. The study shows all needed technologies already exist. The cost scales primarily with telescope size. The mission is definitely within the financial and technical reach of NASA for the coming decade.

  4. Major outcomes of patients with tuberculous meningitis on directly observed thrice a week regime

    PubMed Central

    Iype, Thomas; Pillai, Ayyappan Kunjukrishna; Cherian, Ajith; Nujum, Zinia T.; Pushpa, Chithra; Dae, Dalus; Krishnapillai, Vijayakumar

    2014-01-01

    Background: Revised National Tuberculosis Control Programme (RNTCP) of Government of India provides intermittent thrice-a-week directly observed treatment short course (RNTCP regimen). Objective: Assessments of all-cause mortality and nine-month morbidity outcomes of patients with tuberculous meningitis (TBM) on RNTCP regimen. Materials and Methods: We prospectively followed up patients registered with RNTCP center, with a diagnosis of TBM from January 1st, 2010 to December 31st, 2011. Morbidity was assessed using modified Rankin Scale (mRS). Results: We had 43 patients with median duration for follow-up of 396 days and that of survivors of 425 days. Two patients defaulted. Fourteen patients (32.5%) had mRS score of 4 to 6 and 29 had mRS of 0 to 3 after 9-month treatment. Severe disability was not related to any factor on logistic regression. Severe disability was seen in one patient (6.66%) among the 15 patients with stage 1, nine (37.5%) out of 24 patients with stage 2 and three (75%) out of 4 patients with stage 3 disease. Eight patients died (18.6%) of whom 4 died during the intensive phase and 4 during the continuation phase of RNTCP regimen. Mortality was independently related to treatment failure with adjusted Hazard ratio of 8.29 (CI: 1.38-49.78) (P = 0.02). One patient (6.66%) died out of the 15 patients with stage 1 disease, 5 (20.8%) out of 24 patients with stage 2 disease and 2 (50%) out of the 4 with stage 3 disease. Discussion and Conclusion: RNTCP regimen was associated with good compliance, comparable mortality and morbidity. PMID:25221396

  5. Lattice Boltzmann simulation and direct observation of pore fluid flow around irregularly shaped grains

    NASA Astrophysics Data System (ADS)

    Saomoto, H.; Kase, Y.; Matsushima, T.; Yamada, Y.

    2012-12-01

    An accurate velocity model of porous flow plays an important role in the prediction of the ground water pollution.To clarify the behavior of porous flow passing through irregularly shaped grains, we have been performed CFD simulation and direct observation based on the Lattice Boltzmann Method and the LAT-PIV visuallization technique respectively. The Lattice Boltzmann simulator, which works on a graphics processing unit(GPU), is employed to evaluate the pore fluid velocity distribution in an accurate three dimensional digital model involving Toyoura sand. From the simulation results, the pore fluid velocity distributions converge into a unique non-gaussian distribution under various Reynolds numbers ranging from 2 to 10. The features of the non-gaussian distribution are summarized as follows: (1)It has a long tail until sextuple of the mean velocity magnitude. (2)It has a peak frequency close to zero velocity magnitude. (3)It slightly contains negative velocities. The LAT-PIV visuallization technique, a kind of laser slicing visualization method combined LAT(Laser-Aided Tomography) and PIV (Particle Image Velocimetry), visualizes both grain edges and pore fluid behavior inside specimen which is composed of crashed glass grains and specially blended silicone oil. The pore fluid velocity distributions captured by the LAT-PIV images indicate a similar tendency compared with those measured by the LBM simulations. This supports that the LBM simulation has sufficient ability to predict the pore fluid flow even if the porous medium is composed of irregularly shaped grains. GPU accelerated LBM simulation for Toyoura sand model Pore fluid velocity magnitude distributions for several Reynolds numbers

  6. 40 CFR 26.405 - Observational research involving greater than minimal risk but presenting the prospect of direct...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 1 2010-07-01 2010-07-01 false Observational research involving greater than minimal risk but presenting the prospect of direct benefit to the individual subjects. 26.405 Section 26.405 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GENERAL PROTECTION OF HUMAN SUBJECTS Observational Research:...

  7. Diffusion of a Highly-Charged Supramolecular Assembly: Direct Observation of Ion-Association in Water

    SciTech Connect

    University of California, Berkeley; Lawrence Berkeley National Laboratory; Raymond, Kenneth; Pluth, Michael D.; Tiedemann, Bryan E.F.; van Halbeek, Herman; Nunlist, Rudi; Raymond, Kenneth N.

    2007-10-22

    Understanding the solution behavior of supramolecular assemblies is essential for a full understanding of the formation and chemistry of synthetic host-guest systems. While the interaction between host and guest molecules is generally the focus of mechanistic studies of host-guest complexes, the interaction of the host-guest complex with other species in solution remains largely unknown, although in principle accessible by diffusion studies. Several NMR techniques are available to monitor diffusion and have recently been reviewed. Pulsed gradient spin-echo (PGSE) NMR methods have attracted increasing interest, since they allow diffusion coefficients to be measured with high accuracy; they have been successfully used with observation of {sup 7}Li and {sup 31}P nuclei as well as with {sup 1}H NMR. We report here the direct measurement of diffusion coefficients to observe ion-association interactions by counter cations with a highly-charged supramolecular assembly. Raymond and coworkers have described the design and chemistry of a class of metal-ligand supramolecular assemblies over the past decade. The [Ga{sub 4}L{sub 6}]{sup 12-} (L = 1,5-bis(2,3-dihydroxybenzamido)naphthalene) (1) (Figure 1) assembly has garnered the most attention, with the exploration of the dynamics and mechanism of guest exchange as well as the ability of 1 to achieve either stoichiometric or catalytic reactions inside its interior cavity. Recent studies have revealed the importance of counter cations in solution on the chemistry of 1. During the mechanistic study of the C-H bond activation of aldehydes by [Cp*Ir(PMe{sub 3})(olefin){sup +} {contained_in} 1]{sup 11-} a stepwise guest dissociation mechanism with an ion-paired intermediate was proposed. Similarly, in the mechanism for the hydrolysis of iminium cations generated from the 3-aza Cope rearrangement of enammonium cations in 1, the presence of an exterior ion association was part of the kinetic model. To further substantiate the

  8. Direct and in vitro observation of growth hormone receptor molecules in A549 human lung epithelial cells by nanodiamond labeling

    NASA Astrophysics Data System (ADS)

    Cheng, C.-Y.; Perevedentseva, E.; Tu, J.-S.; Chung, P.-H.; Cheng, C.-L.; Liu, K.-K.; Chao, J.-I.; Chen, P.-H.; Chang, C.-C.

    2007-04-01

    This letter presents direct observation of growth hormone receptor in one single cancer cell using nanodiamond-growth hormone complex as a specific probe. The interaction of surface growth hormone receptor of A549 human lung epithelial cells with growth hormone was observed using nanodiamond's unique spectroscopic signal via confocal Raman mapping. The growth hormone molecules were covalent conjugated to 100nm diameter carboxylated nanodiamonds, which can be recognized specifically by the growth hormone receptors of A549 cell. The Raman spectroscopic signal of diamond provides direct and in vitro observation of growth hormone receptors in physiology condition in a single cell level.

  9. Unimolecular Thermal Decomposition of Phenol and d5-Phenol: Direct Observation of Cyclopentadiene Formation via Cyclohexadienone

    SciTech Connect

    Scheer, A. M.; Mukarakate, C.; Robichaud, D. J.; Nimlos, M. R.; Carstensen, H. H.; Barney, E. G.

    2012-01-28

    The pyrolyses of phenol and d{sub 5}-phenol (C{sub 6}H{sub 5}OH and C{sub 6}D{sub 5}OH) have been studied using a high temperature, microtubular ({mu}tubular) SiC reactor. Product detection is via both photon ionization (10.487 eV) time-of-flight mass spectrometry and matrix isolation infrared spectroscopy. Gas exiting the heated reactor (375 K-1575 K) is subject to a free expansion after a residence time in the {mu}tubular reactor of approximately 50-100 {micro}s. The expansion from the reactor into vacuum rapidly cools the gas mixture and allows the detection of radicals and other highly reactive intermediates. We find that the initial decomposition steps at the onset of phenol pyrolysis are enol/keto tautomerization to form cyclohexadienone followed by decarbonylation to produce cyclopentadiene; C{sub 6}H{sub 5}OH {yields} c-C{sub 6}H{sub 6} = O {yields} c-C{sub 5}H{sub 6} + CO. The cyclopentadiene loses a H atom to generate the cyclopentadienyl radical which further decomposes to acetylene and propargyl radical; c-C{sub 5}H{sub 6} {yields} c-C{sub 5}H{sub 5} + H {yields} HC {triple_bond} CH + HCCCH{sub 2}. At higher temperatures, hydrogen loss from the PhO-H group to form phenoxy radical followed by CO ejection to generate the cyclopentadienyl radical likely contributes to the product distribution; C{sub 6}H{sub 5}O-H {yields} C{sub 6}H{sub 5}O + H {yields} c-C{sub 5}H{sub 5} + CO. The direct decarbonylation reaction remains an important channel in the thermal decomposition mechanisms of the dihydroxybenzenes. Both catechol (o-HO-C{sub 6}H{sub 4}-OH) and hydroquinone (p-HO-C{sub 6}H{sub 4}-OH) are shown to undergo decarbonylation at the onset of pyrolysis to form hydroxycyclopentadiene. In the case of catechol, we observe that water loss is also an important decomposition channel at the onset of pyrolysis.

  10. 49 CFR 40.67 - When and how is a directly observed collection conducted?

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Urine Specimen Collections § 40.67 When and how is a... other specimen. (g) As the collector, you must ensure that the observer is the same gender as the employee. You must never permit an opposite gender person to act as the observer. The observer can be...

  11. 49 CFR 40.67 - When and how is a directly observed collection conducted?

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Urine Specimen Collections § 40.67 When and how is a... other specimen. (g) As the collector, you must ensure that the observer is the same gender as the employee. You must never permit an opposite gender person to act as the observer. The observer can be...

  12. 49 CFR 40.67 - When and how is a directly observed collection conducted?

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Urine Specimen Collections § 40.67 When and how is a... other specimen. (g) As the collector, you must ensure that the observer is the same gender as the employee. You must never permit an opposite gender person to act as the observer. The observer can be...

  13. 49 CFR 40.67 - When and how is a directly observed collection conducted?

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Urine Specimen Collections § 40.67 When and how is a... other specimen. (g) As the collector, you must ensure that the observer is the same gender as the employee. You must never permit an opposite gender person to act as the observer. The observer can be...

  14. Calculating the propagation direction of coronal mass ejections by connecting in situ observations with heliospheric images

    NASA Astrophysics Data System (ADS)

    Rollett, Tanja; Möstl, Christian; Temmer, Manuela; Veronig, Astrid; Biernat, Helfried K.

    2010-05-01

    We determined the propagation direction of two coronal mass ejections by using data provided by the Heliospheric Imagers (HI) and the PLASTIC and IMPACT instruments onboard the two STEREO satellites. To facilitate the tracking of the CME's leading edge we made time-elongation plots (J-plots) for the investigated events and tracked the apparent leading edge therein several times in order to estimate the measurement error. For converting elongation to distance we compared several methods (Point-P, Fixed-Phi and their harmonic mean). To determine the direction of the CME's propagation in the ecliptic we connected the CME-track derived from HI J-plots with the measured in situ arrival time by modifying the propagation direction within the used model equations. The resulting directions and their errors are discussed with respect to the different assumptions used for each technique.

  15. Direct laboratory observation of fluid distribution and its influence on acoustic properties of patchy saturated rocks

    NASA Astrophysics Data System (ADS)

    Lebedev, M.; Clennell, B.; Pervukhina, M.; Shulakova, V.; Mueller, T.; Gurevich, B.

    2009-04-01

    samples (38 mm in diameter, approximately 60 mm long) were dried in oven under reduced pressure. In dynamic saturation experiments, samples were jacketed in the experimental cell, made from transparent for X-radiation material (PMMA). Distillate water was injected into the sample from the one side. Fluid distribution in such "dynamic" experiment: both spatial and time dependant was measured using X-ray Computer Tomograph (CT) with resolution 0.2 x 0.2 x 1 mm3. Velocities (Vp, and Vs) at ultrasonic frequency of 1 MHz, were measured in the direction perpendicular to initial direction of the fluid flow injection. Sample saturation was estimated from the CT results. In "quasi static" experiments samples were saturated during long period of time (over 2 weeks) to achieve uniform distribution of liquid inside the sample. Saturation was determined by measurement of the weight of water fraction. All experiments were performed at laboratory environments at temperature 25 C. Ultrasonic velocities and fluid saturations were measured simultaneously during water injection into sandstone core samples. The experimental results obtained on low-permeability samples show that at low saturation values the velocity-saturation dependence can be described by the Gassmann-Wood relationship. However, with increasing saturation a sharp increase of P-wave velocity is observed, eventually approaching the Gassmann-Hill relationship. We connect the characteristics of the transition behavior of the velocity-saturation relationships to the increasing size of the patches inside the rock sample. In particular, we show that for relatively large fluid injection rate this transition occurs at smaller degrees of saturation as compared with high injection rate. We model the experimental data using the so-called White model (Toms 2007) that assumes fluid patch distribution as a periodic assemblage of concentric spheres. We can observe reasonable agreement between experimental results and theoretical

  16. Resonance of cortico-cortical connections of the motor system with the observation of goal directed grasping movements.

    PubMed

    Koch, Giacomo; Versace, Viviana; Bonnì, Sonia; Lupo, Federica; Lo Gerfo, Emanuele; Oliveri, Massimiliano; Caltagirone, Carlo

    2010-10-01

    Goal directed movements require the activation of parietal, premotor and primary motor areas. In monkeys, neurons of these areas become active also during the observation of movements performed by others, especially for coding the goal of the action (mirror system). Using bifocal transcranial magnetic stimulation (TMS) in healthy subjects, we tested whether the observation of goal directed reach to grasp actions may lead to specific changes in the short-latency connections linking key areas of the mirror system, such as the anterior intraparietal cortex (AIP) and the ventral premotor cortex (PMv), with the primary motor cortex (M1). We found that AIP-M1 and PMv-M1 cortico-cortical interactions were specifically activated when observing successful reaching to grasp goal directed actions, in which the hand posture was congruent with the goal of the action performed by the actor. On the other hand they were not modified when the same goal directed actions were performed wrongly with an inappropriate grasping posture. A similar profile of excitability was observed when testing specific intracortical facilitatory circuits in M1 (I(2)-waves), known to reflect the activity in cortico-cortical pathways transmitting information from PMv. We conclude that the simple observation of others' goal directed actions is able to induce specific neurophysiological changes in some cortico-cortical circuits of the human motor system. PMID:20691198

  17. Speech rate and pitch characteristics of infant-directed speech: Longitudinal and cross-linguistic observations.

    PubMed

    Narayan, Chandan R; McDermott, Lily C

    2016-03-01

    The speech rate and pitch (F0) characteristics of naturalistic, longitudinally recorded infant- and adult-directed speech are reported for three, genetically diverse languages. Previous research has suggested that the prosodic characteristics of infant-directed speech are slowed speech rate, raised mean pitch, and expanded pitch range relative to adult-directed speech. Sixteen mothers (5 Sri Lankan Tamil, 5 Tagalog, 6 Korean) were recorded in their homes during natural interactions with their young infants, and adults, over the course of 12 months beginning when the infant was 4 months old. Regression models indicated that the difference between infant- and adult-directed speech rates decreased across the first year of infants' development. Models of pitch revealed predicted differences between infant- and adult-directed speech but did not provide evidence for cross-linguistic or longitudinal effects within the time period investigated for the three languages. The universality of slowed speech rate, raised pitch, and expanded pitch range is discussed in light of individuals' highly variable implementation of these prosodic features in infant-directed speech. PMID:27036263

  18. A multimethod study of problem behavior among Thai and American children in school: teacher reports versus direct observations.

    PubMed

    Weisz, J R; Chaiyasit, W; Weiss, B; Eastman, K L; Jackson, E W

    1995-04-01

    Previous literature describes Thai children as unusually polite, deferent, and behaviorally restrained. Yet, in a recent study employing teacher reports, Thai children were reported to show many more behavior problems than American children. Such a finding may reflect culture-linked differences in the perspective of Thai versus American teachers. To explore this possibility, we used trained observers to conduct direct observations of Thai and American children's school behavior, and we obtained teacher reports on the same children. Observational results were precisely the opposite of previous and present teacher-report findings: Observers reported twice as much problem behavior and off-task behavior in American children as in their Thai age-mates. This pattern may reflect Thai-U.S. differences in teachers' style, societal values and practices, even child temperament. The finding support the value of direct behavior observation in cross-national research on child problems. PMID:7750373

  19. Direct observation of large quantum interference effect in anthraquinone solid-state junctions.

    PubMed

    Rabache, Vincent; Chaste, Julien; Petit, Philippe; Della Rocca, Maria Luisa; Martin, Pascal; Lacroix, Jean-Christophe; McCreery, Richard L; Lafarge, Philippe

    2013-07-17

    Quantum interference in cross-conjugated molecules embedded in solid-state devices was investigated by direct current-voltage and differential conductance transport measurements of anthraquinone (AQ)-based large area planar junctions. A thin film of AQ was grafted covalently on the junction base electrode by diazonium electroreduction, while the counter electrode was directly evaporated on top of the molecular layer. Our technique provides direct evidence of a large quantum interference effect in multiple CMOS compatible planar junctions. The quantum interference is manifested by a pronounced dip in the differential conductance close to zero voltage bias. The experimental signature is well developed at low temperature (4 K), showing a large amplitude dip with a minimum >2 orders of magnitude lower than the conductance at higher bias and is still clearly evident at room temperature. A temperature analysis of the conductance curves revealed that electron-phonon coupling is the principal decoherence mechanism causing large conductance oscillations at low temperature. PMID:23805821

  20. Assessing the Accuracy of Classwide Direct Observation Methods: Two Analyses Using Simulated and Naturalistic Data

    ERIC Educational Resources Information Center

    Dart, Evan H.; Radley, Keith C.; Briesch, Amy M.; Furlow, Christopher M.; Cavell, Hannah J.; Briesch, Amy M.

    2016-01-01

    Two studies investigated the accuracy of eight different interval-based group observation methods that are commonly used to assess the effects of classwide interventions. In Study 1, a Microsoft Visual Basic program was created to simulate a large set of observational data. Binary data were randomly generated at the student level to represent…