WorldWideScience

Sample records for scattered outward dynamical

  1. Outward migration may alter population dynamics and income inequality

    Science.gov (United States)

    Shayegh, Soheil

    2017-11-01

    Climate change impacts may drive affected populations to migrate. However, migration decisions in response to climate change could have broader effects on population dynamics in affected regions. Here, I model the effect of climate change on fertility rates, income inequality, and human capital accumulation in developing countries, focusing on the instrumental role of migration as a key adaptation mechanism. In particular, I investigate how climate-induced migration in developing countries will affect those who do not migrate. I find that holding all else constant, climate change raises the return on acquiring skills, because skilled individuals have greater migration opportunities than unskilled individuals. In response to this change in incentives, parents may choose to invest more in education and have fewer children. This may ultimately reduce local income inequality, partially offsetting some of the damages of climate change for low-income individuals who do not migrate.

  2. Dynamic light scattering. Observation of polymer dynamics

    International Nuclear Information System (INIS)

    Hiroi, Takashi

    2015-01-01

    Dynamic light scattering is a technique to measure properties of polymer solutions such as size distribution. Principle of dynamic light scattering is briefly explained. Sometime dynamic light scattering is regarded as the observation of Doppler shift of scattered light. First, the difficulty for the direct observation of this Doppler shift is mentioned. Then the measurement by using a time correlation function is introduced. Measuring techniques for dynamic light scattering are also introduced. In addition to homodyne and heterodyne detection techniques, the technique called partial heterodyne method is also introduced. This technique is useful for the analysis of nonergodic medium such as polymer gels. Then the application of this technique to condensed suspension is briefly reviewed. As one of the examples, a dynamic light scattering microscope is introduced. By using this apparatus, we can measure the concentration dependence of the size distribution of polymer solutions. (author)

  3. Dynamic measurement of forward scattering

    DEFF Research Database (Denmark)

    Appel-Hansen, Jørgen; Rusch, W.

    1975-01-01

    A dynamic method for the measurement of forward scattering in a radio anechoic chamber is described. The quantity determined is the induced-field-ratio (IFR) of conducting cylinders. The determination of the IFR is highly sensitive to 1) multiple scattering between the cylinder and the obpring...

  4. Reversed sense of the ''outward'' direction for dynamical effects of rotation close to a Schwarzschild black hole

    International Nuclear Information System (INIS)

    Abramowicz, M.A.; Prasanna, A.R.

    1988-10-01

    Anderson and Lemos (1988) noticed that the direction in which viscous torque transports angular momentum changes, close to a black hole, from outwards to inwards. We find here that close to a black hole the centrifugal force attracts particles towards the hole. We argue that these are particular examples of a general reversal in sense of the inward and outward directions for all dynamical effects of rotation close to the hole. Using results from the recent paper by Abramowicz, Carter and Lasota (1988) we explain that the reversal is not connected with dragging of inertial frames or with the difference between the angular velocities of the hole and of the surrounding matter but rather, it is an effect of curvature. For a Schwarzschild black hole the reversal takes place at the circular photon orbit (r=3M-tilde) because the geodesic curvature, R-tilde=r(1-3M-tilde/r), of the circles r = const. changes its sign there. (author). 13 refs, 7 figs, 1 tab

  5. Chaotic scattering and quantum dynamics

    International Nuclear Information System (INIS)

    Doron, Eyal.

    1992-11-01

    The main concern of this thesis is the application of the semiclassical approximation to quantum chaotic scattering systems. We deal with two separate, although interconnected, subjects. The first subject dealt with is the semiclassical characterization of the fluctuations of the S matrix. A particular important parameter is the magnetic field B, and we show how the correlation length and line shape of S matrix elements under a change of B may be derived. An effect which is present in many physical wave systems is absorption of energy flux. We show how absorption affects both the reflectivity and the scattering phase and time delay of a scattering system. In the second part of the thesis, we show how the formalism and results obtained from chaotic scattering can be applied to the investigation of closed chaotic systems, and in particular to chaotic billiards. The semiclassical expansion for billiards is presented. In the last part of the thesis we deal with the statistics of S matrices of chaotic scattering systems. The main message of this work is that scattering matrix, and its classical counterpart the Poincare Scattering Map can be used to yield a powerful formulation of the quantum mechanical dynamics of bounded systems. (author)

  6. Pion scattering and nuclear dynamics

    International Nuclear Information System (INIS)

    Johnson, M.B.

    1988-01-01

    A phenomenological optical-model analysis of pion elastic scattering and single- and double-charge-exchange scattering to isobaric-analog states is reviewed. Interpretation of the optical-model parameters is briefly discussed, and several applications and extensions are considered. The applications include the study of various nuclear properties, including neutron deformation and surface-fluctuation contributions to the density. One promising extension for the near future would be to develop a microscopic approach based on powerful momentum-space methods brought to existence over the last decade. In this, the lowest-order optical potential as well as specific higher-order pieces would be worked out in terms of microscopic pion-nucleon and delta-nucleon interactions that can be determined within modern meson-theoretical frameworks. A second extension, of a more phenomenological nature, would use coupled-channel methods and shell-model wave functions to study dynamical nuclear correlations in pion double charge exchange. 35 refs., 11 figs., 1 tab

  7. Girls Leading Outward

    Science.gov (United States)

    Hamed, Heather; Reyes, Jazmin; Moceri, Dominic C.; Morana, Laura; Elias, Maurice J.

    2011-01-01

    The authors describe a program implemented in Red Bank Middle School in New Jersey to help at-risk, minority middle school girls realize their leadership potential. The GLO (Girls Leading Outward) program was developed by the Developing Safe and Civil Schools Project at Rutgers University and is facilitated by university students. Selected middle…

  8. Dynamic stimulated Brillouin scattering analysis

    DEFF Research Database (Denmark)

    Djupsöbacka, A.; Jacobsen, Gunnar; Tromborg, Bjarne

    2000-01-01

    We present a new simple analysis - including the effect of spontaneous emission - of the (dynamic) influence of SBS on the detected receiver eye diagram. It applies in principle for general types of modulation formats such as the digital formats of ASK, FSK, and PSK. The analysis is formulated fo...

  9. Incoherent imaging using dynamically scattered coherent electrons

    International Nuclear Information System (INIS)

    Nellist, P.D.; Pennycook, S.J.

    1999-01-01

    We use a Bloch wave approach to show that, even for coherent dynamical scattering from a stationary lattice with no absorption, annular dark-field imaging in a scanning transmission electron microscope gives a direct incoherent structure image of the atomic-column positions of a zone-axis-aligned crystal. Although many Bloch waves may be excited by the probe, the detector provides a filtering effect so that the 1s-type bound states are found to dominate the image contrast for typical experimental conditions. We also find that the column intensity is related to the transverse kinetic energy of the 1s states, which gives atomic number, Z, contrast. The additional effects of phonon scattering are discussed, in particular the reasons why phonon scattering is not a prerequisite for transverse incoherence. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  10. Bubble nonlinear dynamics and stimulated scattering process

    Science.gov (United States)

    Jie, Shi; De-Sen, Yang; Sheng-Guo, Shi; Bo, Hu; Hao-Yang, Zhang; Shi-Yong, Hu

    2016-02-01

    A complete understanding of the bubble dynamics is deemed necessary in order to achieve their full potential applications in industry and medicine. For this purpose it is first needed to expand our knowledge of a single bubble behavior under different possible conditions including the frequency and pressure variations of the sound field. In addition, stimulated scattering of sound on a bubble is a special effect in sound field, and its characteristics are associated with bubble oscillation mode. A bubble in liquid can be considered as a representative example of nonlinear dynamical system theory with its resonance, and its dynamics characteristics can be described by the Keller-Miksis equation. The nonlinear dynamics of an acoustically excited gas bubble in water is investigated by using theoretical and numerical analysis methods. Our results show its strongly nonlinear behavior with respect to the pressure amplitude and excitation frequency as the control parameters, and give an intuitive insight into stimulated sound scattering on a bubble. It is seen that the stimulated sound scattering is different from common dynamical behaviors, such as bifurcation and chaos, which is the result of the nonlinear resonance of a bubble under the excitation of a high amplitude acoustic sound wave essentially. The numerical analysis results show that the threshold of stimulated sound scattering is smaller than those of bifurcation and chaos in the common condition. Project supported by the Program for Changjiang Scholars and Innovative Research Team in University, China (Grant No. IRT1228) and the Young Scientists Fund of the National Natural Science Foundation of China (Grant Nos. 11204050 and 11204049).

  11. Studies of the dynamic properties of materials using neutron scattering

    International Nuclear Information System (INIS)

    Lovesey, S.W.; Windsor, C.G.

    1985-09-01

    The dynamic properties of materials using the neutron scattering technique is reviewed. The basic properties of both nuclear scattering and magnetic scattering are summarized. The experimental methods used in neutron scattering are described, along with access to neutron sources, and neutron inelastic instruments. Applied materials science using inelastic neutron scattering; rotational tunnelling of a methyl group; molecular diffusion from quasi-elastic scattering; and the diffusion of colloidal particles and poly-nuclear complexes; are also briefly discussed. (U.K.)

  12. Dynamic light scattering optical coherence tomography.

    Science.gov (United States)

    Lee, Jonghwan; Wu, Weicheng; Jiang, James Y; Zhu, Bo; Boas, David A

    2012-09-24

    We introduce an integration of dynamic light scattering (DLS) and optical coherence tomography (OCT) for high-resolution 3D imaging of heterogeneous diffusion and flow. DLS analyzes fluctuations in light scattered by particles to measure diffusion or flow of the particles, and OCT uses coherence gating to collect light only scattered from a small volume for high-resolution structural imaging. Therefore, the integration of DLS and OCT enables high-resolution 3D imaging of diffusion and flow. We derived a theory under the assumption that static and moving particles are mixed within the OCT resolution volume and the moving particles can exhibit either diffusive or translational motion. Based on this theory, we developed a fitting algorithm to estimate dynamic parameters including the axial and transverse velocities and the diffusion coefficient. We validated DLS-OCT measurements of diffusion and flow through numerical simulations and phantom experiments. As an example application, we performed DLS-OCT imaging of the living animal brain, resulting in 3D maps of the absolute and axial velocities, the diffusion coefficient, and the coefficient of determination.

  13. Static and dynamic properties of multiple light scattering

    Science.gov (United States)

    Štěpánek, Petr

    1993-11-01

    We have examined the onset and evolution of multiple scattering of light on a series of latex dispersions as a function of increasing volume concentration φ of particles. We have shown that using vertically polarized incident light, the static scattered intensity becomes progressively depolarized, with increasing φ. The polarization of scattered light is completely random in the limit of strong multiple scattering. The spectra of decay times of dynamic light scattering display a region of oligo scattering at intermediate φ where both the single and multiple scattering components can be dynamically identified. For φ≳0.03 the limit of diffusive transport of light is attained. The obtained results confirm that our earlier measurements of dynamic light scattering on systems exhibiting critical opalescence are not influenced by multiple light scattering.

  14. Ultrafast x-ray scattering on nanoparticle dynamics

    International Nuclear Information System (INIS)

    Plech, A; Ibrahimkutty, S; Issenmann, D; Kotaidis, V; Siems, A

    2013-01-01

    Pulsed X-ray scattering is used for the determination of structural dynamics of laser-irradiated gold particles. By combining several scattering methods such as powder scattering, small angle scattering and diffuse wide angle scattering it is possible to reconstruct the kinetics of structure evolution on several lengths scales and derive complementary information on the particles and their local environment. A generic structural phase diagram for the reaction as function of delay time after laser excitation and laser fluence can be constructed.

  15. Magnetic Dynamics of Fine Particles Studied by Inelastic Neutron Scattering

    DEFF Research Database (Denmark)

    Hansen, Mikkel Fougt; Bødker, Franz; Mørup, Steen

    2000-01-01

    We give an introduction to inelastic neutron scattering and the dynamic scattering function for magnetic nanoparticles. Differences between ferromagnetic and antiferromagnetic nanoparticles are discussed and we give a review of recent results on ferromagnetic Fe nanoparticles and canted antiferro......We give an introduction to inelastic neutron scattering and the dynamic scattering function for magnetic nanoparticles. Differences between ferromagnetic and antiferromagnetic nanoparticles are discussed and we give a review of recent results on ferromagnetic Fe nanoparticles and canted...

  16. Dynamics of liquid N2 studied by neutron inelastic scattering

    DEFF Research Database (Denmark)

    Pedersen, Karen Schou; Carneiro, Kim; Hansen, Flemming Yssing

    1982-01-01

    Neutron inelastic-scattering data from liquid N2 at wave-vector transfer κ between 0.18 and 2.1 Å-1 and temperatures ranging from T=65-77 K are presented. The data are corrected for the contribution from multiple scattering and incoherent scattering. The resulting dynamic structure factor S (κ,ω)...

  17. Complex scattering dynamics and the quantum Hall effects

    International Nuclear Information System (INIS)

    Trugman, S.A.

    1994-01-01

    We review both classical and quantum potential scattering in two dimensions in a magnetic field, with applications to the quantum Hall effect. Classical scattering is complex, due to the approach of scattering states to an infinite number of dynamically bound states. Quantum scattering follows the classical behavior rather closely, exhibiting sharp resonances in place of the classical bound states. Extended scatterers provide a quantitative explanation for the breakdown of the QHE at a comparatively small Hall voltage as seen by Kawaji et al., and possibly for noise effects

  18. Does Inward FDI Promote or Hinder Outward FDI?

    DEFF Research Database (Denmark)

    Liu, Ying; Li, Ming Hua; Lu, Jiangyong

    In this paper we evaluate the mechanisms underlying dynamic linkages between inward FDI and outward internationalization in the Chinese automobile industry. While several studies have examined the relationship between outward and inward investment using empirical data, this is among the first to ...... may be more driven to expand internationally while firms with IJVs may face constraints from venturing abroad. Our study further delineates strategies for how automakers without IJVs may rely on external growth to springboard back into the domestic car market....

  19. Inelastic neutron scattering and lattice dynamics of minerals

    Indian Academy of Sciences (India)

    We review current research on minerals using inelastic neutron scattering and lattice dynamics calculations. Inelastic neutron scattering studies in combination with first principles and atomistic calculations provide a detailed understanding of the phonon dispersion relations, density of states and their manifestations in ...

  20. Inelastic neutron scattering and lattice dynamics of minerals

    Indian Academy of Sciences (India)

    Abstract. We review current research on minerals using inelastic neutron scattering and lattice dynamics calculations. Inelastic neutron scattering studies in combination with first principles and atomistic calculations provide a detailed understanding of the phonon dispersion relations, density of states and their ...

  1. Polarized neutron inelastic scattering experiments on spin dynamics

    International Nuclear Information System (INIS)

    Kakurai, Kazuhisa

    2016-01-01

    The principles of polarized neutron scattering are introduced and examples of polarized neutron inelastic scattering experiments on spin dynamics investigation are presented. These examples should demonstrate the importance of the polarized neutron utilization for the investigation of non-trivial magnetic ground and excited states in frustrated and low dimensional quantum spin systems. (author)

  2. Electron Dynamics by Inelastic X-Ray Scattering

    CERN Document Server

    Schülke, Winfried

    2007-01-01

    The book offers the first comprehensive review of experimental methods, theory, and successful applications of synchrotron radiation based inelastic X-ray scattering (IXS) spectroscopy, which enables the investigation of electron dynamics in condensed matter (correlated motion and excitation).

  3. Hyperon-Nulceon Scattering from Fully-Dynamical Lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Silas Beane; Paulo Bedaque; Thomas Luu; Konstantinos Orginos; Elizabetta Pallante; Assumpta Parreno; Martin Savage

    2007-10-01

    We present results of the first fully-dynamical lattice QCD determination of hyperon-nucleon scattering. One s-wave phase shift was determined for n{Lambda} scattering in both spin-channels at pion masses of 350, 490, and 590 MeV, and for n{Sigma}^- scattering in both spin channels at pion masses of 490, and 590 MeV. The calculations were performed with domain-wall valence quarks on dynamical, staggered gauge configurations with a lattice spacing of b ~0.125 fm.

  4. A local dynamic correlation function from inelastic neutron scattering

    International Nuclear Information System (INIS)

    McQueeney, R.J.

    1997-01-01

    Information about local and dynamic atomic correlations can be obtained from inelastic neutron scattering measurements by Fourier transform of the Q-dependent intensity oscillations at a particular frequency. A local dynamic structure function, S(r,ω), is defined from the dynamic scattering function, S(Q,ω), such that the elastic and frequency-integrated limits correspond to the average and instantaneous pair-distribution functions, respectively. As an example, S(r,ω) is calculated for polycrystalline aluminum in a model where atomic motions are entirely due to harmonic phonons

  5. Electromagnetic Drop Scale Scattering Modelling for Dynamic Statistical Rain Fields

    OpenAIRE

    Hipp, Susanne

    2015-01-01

    This work simulates the scattering of electromagnetic waves by a rain field. The calculations are performed for the individual drops and accumulate to a time signal dependent on the dynamic properties of the rain field. The simulations are based on the analytical Mie scattering model for spherical rain drops and the simulation software considers the rain characteristics drop size (including their distribution in rain), motion, and frequency and temperature dependent permittivity. The performe...

  6. The dynamics of physisorbed layers studied by neutron scattering

    International Nuclear Information System (INIS)

    Nielsen, M.; McTague, J.P.

    1978-01-01

    We discuss the neutron scattering technique applied to the study of adsorbed thin films. Despite the fact that neutrons are scattered very weakly by surfaces, recent studies have shown that both structural and dynamical information can be obtained even for submonolayer coverages. Results will be shown for films of Ar, D 2 , H 2 , and O 2 adsorbed on (001) surfaces of graphite and for H 2 molecules adsorbed on activated alumina. (orig.) [de

  7. Jacob's ladder of approximations to paraxial dynamic electron scattering

    OpenAIRE

    Lubk, A.; Rusz, Jan

    2015-01-01

    Dynamical scattering theory describes the dominant scattering process of beam electrons at targets in the transmission electron microscope (TEM). Hence, practically every quantitative TEM study has to consider its ramifications, typically by some approximate modeling. Here, we elaborate on a hierarchy within the various approximations focusing on the two principal approaches used in practice, Bloch wave and multislice. We reveal characteristic differences in the capability of these methods to...

  8. Dynamics of entanglement between two atomic samples with spontaneous scattering

    International Nuclear Information System (INIS)

    Di Lisi, Antonio; De Siena, Silvio; Illuminati, Fabrizio

    2004-01-01

    We investigate the effects of spontaneous scattering on the evolution of entanglement of two atomic samples, probed by phase-shift measurements on optical beams interacting with both samples. We develop a formalism of conditional quantum evolutions and present a wave function analysis implemented in numerical simulations of the state vector dynamics. This method allows us to track the evolution of entanglement and to compare it with the predictions obtained when spontaneous scattering is neglected. We provide numerical evidence that the interferometric scheme to entangle atomic samples is only marginally affected by the presence of spontaneous scattering and should thus be robust even in more realistic situations

  9. Molecular dynamics using quasielastic neutron scattering

    CERN Document Server

    Mitra, S

    2003-01-01

    Quasielastic neutron scattering (QENS) technique is well suited to study the molecular motions (rotations and translations) in solids or liquids. It offers a unique possibility of analysing spatial dimensions of atomic or molecular processes in their development over time. We describe here some of the systems studied using the QENS spectrometer, designed, developed and commissioned at Dhruva reactor in Trombay. We have studied a variety of systems to investigate the molecular motion, for example, simple molecular solids, molecules adsorbed in confined medium like porous systems or zeolites, monolayer-protected nano-sized metal clusters, water in Portland cement as it cures with time, etc. (author)

  10. Lattice dynamics and thermal diffuse scattering for molecular crystals

    International Nuclear Information System (INIS)

    Kroon, P.A.

    1977-01-01

    Thermal diffuse scattering (TDS) corrections on the observed reflection intensities in the accurate determination of crystal structures by X-ray diffraction are emphasized. A lattice-dynamical model and procedure for lattice-dynamical calculations are set up. Expression for first- and second-order TDS intensity distributions are derived. A comparison with other models is made. First-order TDS corrections for naphtalene at 100 K are presented

  11. Dynamic light scattering with applications to chemistry, biology, and physics

    CERN Document Server

    Berne, Bruce J

    2000-01-01

    Lasers play an increasingly important role in a variety of detection techniques, making inelastic light scattering a tool of growing value in the investigation of dynamic and structural problems in chemistry, biology, and physics. Until the initial publication of this work, however, no monograph treated the principles behind current developments in the field.This volume presents a comprehensive introduction to the principles underlying laser light scattering, focusing on the time dependence of fluctuations in fluid systems; it also serves as an introduction to the theory of time correlation f

  12. Dynamic neutron scattering from conformational dynamics. II. Application using molecular dynamics simulation and Markov modeling.

    Science.gov (United States)

    Yi, Zheng; Lindner, Benjamin; Prinz, Jan-Hendrik; Noé, Frank; Smith, Jeremy C

    2013-11-07

    Neutron scattering experiments directly probe the dynamics of complex molecules on the sub pico- to microsecond time scales. However, the assignment of the relaxations seen experimentally to specific structural rearrangements is difficult, since many of the underlying dynamical processes may exist on similar timescales. In an accompanying article, we present a theoretical approach to the analysis of molecular dynamics simulations with a Markov State Model (MSM) that permits the direct identification of structural transitions leading to each contributing relaxation process. Here, we demonstrate the use of the method by applying it to the configurational dynamics of the well-characterized alanine dipeptide. A practical procedure for deriving the MSM from an MD is introduced. The result is a 9-state MSM in the space of the backbone dihedral angles and the side-chain methyl group. The agreement between the quasielastic spectrum calculated directly from the atomic trajectories and that derived from the Markov state model is excellent. The dependence on the wavevector of the individual Markov processes is described. The procedure means that it is now practicable to interpret quasielastic scattering spectra in terms of well-defined intramolecular transitions with minimal a priori assumptions as to the nature of the dynamics taking place.

  13. Revealing inner shell dynamics with inelastic X-ray scattering

    International Nuclear Information System (INIS)

    Franck, C.

    1990-01-01

    One of the many opportunities provided by the Advanced Photon Source (APS) is to extend the study of intra-atomic dynamics. As a means of testing dynamic response, inelastic x-ray scattering is particularly promising since it allows us to independently vary the period of the exciting field in both space and time. As an example of this type of work, the author presents experiments performed at the Cornell High Energy Synchrotron Source (CHESS) laboratory, a prototype for the APS. This was inner shell inelastic scattering with a twist: in order to explore a new distance scale an x-ray fluorescence trigger was employed. Aside for the atomic insight gained, the experiment taught them the importance of the time structure of the synchrotron beam for coincidence experiments which are dominated by accidental events

  14. Cover Art: River's Edge: Downward, Outward, Upward

    Directory of Open Access Journals (Sweden)

    Jonee Kulman Brigham

    2017-10-01

    Full Text Available Artist's Statement for the cover art of IJPS volume 4, issue 3: River's Edge: Downward, Outward, Upward, 2015. Mixed Media: photograph, inkjet printed on presentation matte of colored pencil over photograph.

  15. On determination of the dynamics of hydrocarbon molecules on catalyst's surfaces by means of neutron scattering

    International Nuclear Information System (INIS)

    Stockmeyer, R.

    1976-01-01

    The intensity distribution of slow neutrons scattered by adsorbed hydrocarbon molecules contains information on the dynamics of the molecules. In this paper the scattering law for incoherently scattering molecules is derived taking into account the very different mobility perpendicular and parallel to the surface. In contrast to the well known scattering law of threedimensionally diffusing particles the scattering law for twodimensional diffusion diverges logarithmically at zero energy transfer. Conclusions relevant to the interpretation of neutron scattering data are discussed. (orig.) [de

  16. A scatter-corrected list-mode reconstruction and a practical scatter/random approximation technique for dynamic PET imaging

    International Nuclear Information System (INIS)

    Cheng, J-C; Rahmim, Arman; Blinder, Stephan; Camborde, Marie-Laure; Raywood, Kelvin; Sossi, Vesna

    2007-01-01

    We describe an ordinary Poisson list-mode expectation maximization (OP-LMEM) algorithm with a sinogram-based scatter correction method based on the single scatter simulation (SSS) technique and a random correction method based on the variance-reduced delayed-coincidence technique. We also describe a practical approximate scatter and random-estimation approach for dynamic PET studies based on a time-averaged scatter and random estimate followed by scaling according to the global numbers of true coincidences and randoms for each temporal frame. The quantitative accuracy achieved using OP-LMEM was compared to that obtained using the histogram-mode 3D ordinary Poisson ordered subset expectation maximization (3D-OP) algorithm with similar scatter and random correction methods, and they showed excellent agreement. The accuracy of the approximated scatter and random estimates was tested by comparing time activity curves (TACs) as well as the spatial scatter distribution from dynamic non-human primate studies obtained from the conventional (frame-based) approach and those obtained from the approximate approach. An excellent agreement was found, and the time required for the calculation of scatter and random estimates in the dynamic studies became much less dependent on the number of frames (we achieved a nearly four times faster performance on the scatter and random estimates by applying the proposed method). The precision of the scatter fraction was also demonstrated for the conventional and the approximate approach using phantom studies

  17. Dynamic radial distribution function from inelastic neutron scattering

    International Nuclear Information System (INIS)

    McQueeney, R.J.

    1998-01-01

    A real-space, local dynamic structure function g(r,ω) is defined from the dynamic structure function S(Q,ω), which can be measured using inelastic neutron scattering. At any particular frequency ω, S(Q,ω) contains Q-dependent intensity oscillations which reflect the spatial distribution and relative displacement directions for the atoms vibrating at that frequency. Information about local and dynamic atomic correlations is obtained from the Fourier transform of these oscillations g(r,ω) at the particular frequency. g(r,ω) can be formulated such that the elastic and frequency-summed limits correspond to the average and instantaneous radial distribution function, respectively, and is thus called the dynamic radial distribution function. As an example, the dynamic radial distribution function is calculated for fcc nickel in a model which considers only the harmonic atomic displacements due to phonons. The results of these calculations demonstrate that the magnitude of the atomic correlations can be quantified and g(r,ω) is a well-defined correlation function. This leads to a simple prescription for investigating local lattice dynamics. copyright 1998 The American Physical Society

  18. Dynamics of polymers in the bulk state by neutron scattering

    International Nuclear Information System (INIS)

    Kanaya, Toshiji; Kaji, Keisuke; Kawaguchi, Tatsuya; Inoue, Kazuhiko.

    1992-01-01

    Dynamics of polymers in the bulk state was studied by quasi- and inelastic neutron scattering techniques in the time range of 10 -13 to 10 -10 s. The present work can be classified into three parts: (i) dynamics in the glassy, state, (ii) dynamics near the glass transition and (iii) dynamics in the molten state. In the first section, we discuss the low energy excitation in glassy polymers, which is an origin of anomalous thermal properties of amorphous materials at low temperatures. In the next section, we study dynamics of amorphous polymers near the glass transition which is one of the current topics of solid state physics as well as polymer physics. It was found that two modes of motion appear near the glass transition in the energy ranges near 1 meV and of 10-30μeV. These fast and slow modes arising ca. 50K below T g and just above T g , respectively, are discussed from viewpoints of molecular basis. In the last section, dynamics in the molten state is investigated by focusing on the mechanism of local conformational transition of polymer chains. The results are analyzed in terms of jump diffusion model with damped vibrational motions and compared with the Kramers' rate theory. (author)

  19. Evaluation of aggregate stability of Haplic Stagnosols using dynamic light scattering, phase analysis light scattering and color coordinates

    Czech Academy of Sciences Publication Activity Database

    Artemyeva, Z.; Žigová, Anna; Kirillova, N.; Šťastný, Martin; Holubík, O.; Podrázský, V.

    2017-01-01

    Roč. 63, č. 13 (2017), s. 1838-1851 ISSN 0365-0340 Institutional support: RVO:67985831 Keywords : land use * aggregate stability * organo-clay complexes * dynamic light scattering * phase analysis light scattering * color coordinates Subject RIV: DF - Soil Science OBOR OECD: Soil science Impact factor: 2.137, year: 2016

  20. Investigation of static and dynamic properties of condensed matter by using neutron scattering

    International Nuclear Information System (INIS)

    Davidovic, M.

    1997-01-01

    Possibilities of using neutron scattering for investigating microscopic properties of materials are analyzed. Basic neutron scattering theory is presented and its use in structure and dynamics analyses of condense systems. (author)

  1. Dynamic bremsstrahlung from relativistic particles scattered by atom

    International Nuclear Information System (INIS)

    Astapenko, V.A.; Bujmistrov, V.M.; Krotov, Yu.A.; Mikhajlov, L.K.; Trakhtenberg, L.I.

    1985-01-01

    The bremsstrahlung cross section for a relativistic particle scattered by an atom is calculated. In contrast to the screening approximation usually employed, the influence of the atomic electron on the bremsstrahlung is taken into account exactly, viz., the atomic electron is considered as a moving particle interacting with the electromagnetic field and not only as the source of a static external field. Consequently, along with the static term which leads to the Bethe-Heitw,ler formula, a ne dynamic, term appears in the transition amplitude. The corresponding cross section, the dynamic bremsstrahlung cross section, in certain frequensy ranges and certain ranges of the directions of photon emission exceeds considerably the static bremsstrahlung cross section

  2. Incoherent scatter studies of upper atmosphere dynamics and coding technique

    International Nuclear Information System (INIS)

    Haeggstroem, Ingemar.

    1990-09-01

    Observations by the EISCAT incoherent scatter radar are used to study the dynamics of the auroral upper atmosphere. The study describes some effects of the strong plasma convection occurring at these latitudes and a new coding technique for incoherent scatter radars. A technique to determine the thermospheric neutral wind from incoherent scatter measurements is described. Simultaneous Fabry-Perot interferometer measurements of the wind are compared with those derived from the radar data. F-region electron density depletions in the afternoon/evening sector of the auroral zone, identified as the main ionospheric trough, are investigated. In a statistical study, based on wide latitude scanning experiment made at solar minimum, the trough appearance at a given latitude is compared to the geomagnetic index K p , and an empirical model predicting the latitude of the trough is proposed. Detailed studies, using different experiment modes, show that the equatorward edge of the auroral oval is co-located of up to 1 degree poleward of the trough minimum, which in turn is co-located with the peak convective electric field, with its boundary 1 degree - 2 degree equatorward of the trough minimum. It is shown that the F-region ion composition changes from pure 0 + to molecular ion dominated (NO + /O 2 + ) as the trough moves into the region probed by the radar. In a special case, where a geomagnetic sudden impulse caused an expansion of the plasma convection pattern, the equatorward trough progression is studied together with ionosonde measurements. A new coding technique for incoherent scatter radar measurement is introduced and described. The method, called alternating codes, provides significantly more accurate estimates of the plasma parameters than can be obtained by frequency commutated multipulse measurements. Simple explanations of the method are given as well as a precise definition. Two examples of application of the alternating codes are presented, showing the high

  3. Total internal reflection and dynamic light scattering microscopy of gels

    Science.gov (United States)

    Gregor, Brian F.

    Two different techniques which apply optical microscopy in novel ways to the study of biological systems and materials were built and applied to several samples. The first is a system for adapting the well-known technique of dynamic light scattering (DLS) to an optical microscope. This can detect and scatter light from very small volumes, as compared to standard DLS which studies light scattering from volumes 1000x larger. The small scattering volume also allows for the observation of nonergodic dynamics in appropriate samples. Porcine gastric mucin (PGM) forms a gel at low pH which lines the epithelial cell layer and acts as a protective barrier against the acidic stomach environment. The dynamics and microscopic viscosity of PGM at different pH levels is studied using polystyrene microspheres as tracer particles. The microscopic viscosity and microrheological properties of the commercial basement membrane Matrigel are also studied with this instrument. Matrigel is frequently used to culture cells and its properties remain poorly determined. Well-characterized and purely synthetic Matrigel substitutes will need to have the correct rheological and morphological characteristics. The second instrument designed and built is a microscope which uses an interferometry technique to achieve an improvement in resolution 2.5x better in one dimension than the Abbe diffraction limit. The technique is based upon the interference of the evanescent field generated on the surface of a prism by a laser in a total internal reflection geometry. The enhanced resolution is demonstrated with fluorescent samples. Additionally. Raman imaging microscopy is demonstrated using the evanescent field in resonant and non-resonant samples, although attempts at applying the enhanced resolution technique to the Raman images were ultimately unsuccessful. Applications of this instrument include high resolution imaging of cell membranes and macroscopic structures in gels and proteins. Finally, a third

  4. Compton scattering at finite temperature: thermal field dynamics approach

    International Nuclear Information System (INIS)

    Juraev, F.I.

    2006-01-01

    Full text: Compton scattering is a classical problem of quantum electrodynamics and has been studied in its early beginnings. Perturbation theory and Feynman diagram technique enables comprehensive analysis of this problem on the basis of which famous Klein-Nishina formula is obtained [1, 2]. In this work this problem is extended to the case of finite temperature. Finite-temperature effects in Compton scattering is of practical importance for various processes in relativistic thermal plasmas in astrophysics. Recently Compton effect have been explored using closed-time path formalism with temperature corrections estimated [3]. It was found that the thermal cross section can be larger than that for zero-temperature by several orders of magnitude for the high temperature realistic in astrophysics [3]. In our work we use a main tool to account finite-temperature effects, a real-time finite-temperature quantum field theory, so-called thermofield dynamics [4, 5]. Thermofield dynamics is a canonical formalism to explore field-theoretical processes at finite temperature. It consists of two steps, doubling of Fock space and Bogolyubov transformations. Doubling leads to appearing additional degrees of freedom, called tilded operators which together with usual field operators create so-called thermal doublet. Bogolyubov transformations make field operators temperature-dependent. Using this formalism we treat Compton scattering at finite temperature via replacing in transition amplitude zero-temperature propagators by finite-temperature ones. As a result finite-temperature extension of the Klein-Nishina formula is obtained in which differential cross section is represented as a sum of zero-temperature cross section and finite-temperature correction. The obtained result could be useful in quantum electrodynamics of lasers and for relativistic thermal plasma processes in astrophysics where correct account of finite-temperature effects is important. (author)

  5. Dynamic neutron scattering from conformational dynamics. I. Theory and Markov models.

    Science.gov (United States)

    Lindner, Benjamin; Yi, Zheng; Prinz, Jan-Hendrik; Smith, Jeremy C; Noé, Frank

    2013-11-07

    The dynamics of complex molecules can be directly probed by inelastic neutron scattering experiments. However, many of the underlying dynamical processes may exist on similar timescales, which makes it difficult to assign processes seen experimentally to specific structural rearrangements. Here, we show how Markov models can be used to connect structural changes observed in molecular dynamics simulation directly to the relaxation processes probed by scattering experiments. For this, a conformational dynamics theory of dynamical neutron and X-ray scattering is developed, following our previous approach for computing dynamical fingerprints of time-correlation functions [F. Noé, S. Doose, I. Daidone, M. Löllmann, J. Chodera, M. Sauer, and J. Smith, Proc. Natl. Acad. Sci. U.S.A. 108, 4822 (2011)]. Markov modeling is used to approximate the relaxation processes and timescales of the molecule via the eigenvectors and eigenvalues of a transition matrix between conformational substates. This procedure allows the establishment of a complete set of exponential decay functions and a full decomposition into the individual contributions, i.e., the contribution of every atom and dynamical process to each experimental relaxation process.

  6. China's Outward Direct Investment in Africa

    NARCIS (Netherlands)

    Cheung, Yin-Wong; de Haan, Jakob; Qian, Xingwang; Yu, Shu

    The empirical determinants of China's outward direct investment (ODI) in Africa are examined using an officially approved ODI dataset and a relatively new OECDIMF format ODI dataset. China's ODI is found responding to the canonical economic determinants that include the market seeking motive, the

  7. Chinese outward foreign direct investments to Europe

    NARCIS (Netherlands)

    Blomkvist, Katarina; Drogendijk, Rian

    This paper addresses Chinese outward foreign direct investments (OFDI) in Europe. We aim to provide more knowledge on the ongoing research discussion about Chinese OFDI, more specifically, we answer questions about what is driving Chinese firms to invest in Europe, and whether Chinese investment

  8. Institutional Field for Outward Foreign Direct Investment:

    DEFF Research Database (Denmark)

    Marinova, Svetla Trifonova; Child, John; Marinov, Marin Alexandrov

    2012-01-01

    The paper AU :3 explores the stages of development of an outward foreign direct investment (OFDI) institutional field during periods of major system change in big emerging economies. The state and its agencies appear to be the principal institutional entrepreneurs in developing the OFDI...

  9. OUTWARD BRAZILIAN FOREIGN DIRECT INVESTMENT: IMPULSES AND RESPONSES

    Directory of Open Access Journals (Sweden)

    Ronald de Oliveira Concer

    2010-12-01

    Full Text Available This paper models the outward foreign direct investment from Brazil series using time a series econometrics model, namely the Vector Auto Regressive (VAR model. We have drawn impulse response functions for the key relevant factors that may explain the outward foreign direct investment flows. We start with a review of the literature on the Dunning location approach to international business. We worked with a data set of quarterly observations from Q1-1995 to Q1-2010. We carried also out Granger causality tests as for determining whether international business travelling should be included as an explanatory variable in our model. Results stressed that although the strong exchange rate in Brazil is often blamed for forcing companies to invest abroad, the evidence found in the aggregate data suggests that there is not a significant relationship between the level of foreign exchange rate and the outward Brazilian foreign direct investment. Differently from previous studies, this paper uses impulse response functions to present dynamic results, thus avoiding the typical binary results “affect” or “don’t affect”, and in so doing we provide a more detailed insight into this important location factor.

  10. OUTWARD BRAZILIAN FOREIGN DIRECT INVESTMENT: IMPULSES AND RESPONSES

    Directory of Open Access Journals (Sweden)

    Ronald de Oliveira Concer

    2010-01-01

    Full Text Available This paper models the outward foreign direct investment from Brazil series using time a series econometrics model, namely the Vector Auto Regressive (VAR model. We have drawn impulse response functions for the key relevant factors that may explain the outward foreign direct investment flows. We start with a review of the literature on the Dunning location approach to international business. We worked with a data set of quarterly observations from Q1-1995 to Q1-2010. We carried also out Granger causality tests as for determining whether international business travelling should be included as an explanatory variable in our model. Results stressed that although the strong exchange rate in Brazil is often blamed for forcing companies to invest abroad, the evidence found in the aggregate data suggests that there is not a significant relationship between the level of foreign exchange rate and the outward Brazilian foreign direct investment. Differently from previous studies, this paper uses impulse response functions to present dynamic results, thus avoiding the typical binary results “affect” or “don’t affect”, and in so doing we provide a more detailed insight into this important location factor.

  11. Dynamic Volume Holography and Optical Information Processing by Raman Scattering

    International Nuclear Information System (INIS)

    Dodin, I.Y.; Fisch, N.J.

    2002-01-01

    A method of producing holograms of three-dimensional optical pulses is proposed. It is shown that both the amplitude and the phase profile of three-dimensional optical pulse can be stored in dynamic perturbations of a Raman medium, such as plasma. By employing Raman scattering in a nonlinear medium, information carried by a laser pulse can be captured in the form of a slowly propagating low-frequency wave that persists for a time large compared with the pulse duration. If such a hologram is then probed with a short laser pulse, the information stored in the medium can be retrieved in a second scattered electromagnetic wave. The recording and retrieving processes can conserve robustly the pulse shape, thus enabling the recording and retrieving with fidelity of information stored in optical signals. While storing or reading the pulse structure, the optical information can be processed as an analogue or digital signal, which allows simultaneous transformation of three-dimensional continuous images or computing discrete arrays of binary data. By adjusting the phase fronts of the reference pulses, one can also perform focusing, redirecting, and other types of transformation of the output pulses

  12. Structure and dynamics of photosynthetic proteins studied by neutron scattering and molecular dynamic simulation

    International Nuclear Information System (INIS)

    Dellerue, Serge

    2000-01-01

    Understand the structure-dynamics-function relation in the case of proteins is essential. But few experimental techniques allow to have access to knowledge of fast internal movements of biological macromolecules. With the neutron scattering method, it has been possible to study the reorientation dynamics of side chains and of polypeptide skeleton for two proteins in terms of water or detergent and of temperature. With the use of the molecular dynamics method, essential for completing and interpreting the experimental data, it has been possible to assess the different contributions of the whole structure of proteins to the overall dynamics. It has been shown that the polypeptide skeleton presents an energy relaxation comparable to those of the side chains. Moreover, it has been explained that the protein dynamics can only be understood in terms of relaxation time distribution. (author) [fr

  13. Dynamic properties of electrons in solids by neutron scattering

    International Nuclear Information System (INIS)

    Lovesey, S.W.

    1980-12-01

    Illustrative cases of the use of neutron scattering in the study of the electronic properties of materials discussed here include scattering by localised electrons, narrow band materials and electron plasmas. (U.K.)

  14. Protein dynamics by neutron scattering: The protein dynamical transition and the fragile-to-strong dynamical crossover in hydrated lysozyme

    International Nuclear Information System (INIS)

    Magazù, Salvatore; Migliardo, Federica; Benedetto, Antonio; Vertessy, Beata

    2013-01-01

    Highlights: • The role played by the instrumental energy resolution in neutron scattering is presented. • The effect of natural bioprotectants on protein dynamics is shown. • A connection between the protein dynamical transition and the fragile-to-strong dynamical crossover is formulated. - Abstract: In this work Elastic Incoherent Neutron Scattering (EINS) results on lysozyme water mixtures in absence and in presence of bioprotectant systems are presented. The EINS data have been collected by using the IN13 and the IN10 spectrometers at the Institut Laue-Langevin (ILL, Grenoble, France) allowing to evaluate the temperature behaviour of the mean square displacement and of the relaxation time for the investigated systems. The obtained experimental findings together with theoretical calculations allow to put into evidence the role played by the spectrometer resolution and to clarify the connexion between the registered protein dynamical transition, the system relaxation time, and the instrumental energy resolution

  15. Static and dynamic light scattering studies on dilute polyrotaxane solutions

    Science.gov (United States)

    Kume, Tetsuya; Araki, Jun; Sakai, Yasuhiro; Mayumi, Koichi; Kidowaki, Masatoshi; Yokoyama, Hideaki; Ito, Kohzo

    2009-08-01

    Static and dynamic light scattering measurements were performed for dilute polyrotaxane solutions in different types of solvent systems, i.e. dimethylacetamide (DMAc) or dimethylformamide (DMF) containing 1-6 wt% lithium chloride (LiCl), 1 M aqueous sodium hydroxide (NaOH) and dimethylsulfoxide (DMSO). No aggregation of the polyrotaxane in DMF/LiCl was confirmed in the present study. Radius of gyration of the dissolved polyrotaxane was largest in NaOHaq., followed by values in amide solvents/LiCl and that in DMSO, and was probably dominated not by Coulombic repulsion but by the mutual affinity between solvent and polyrotaxane. Ratio of radius of gyration to hydrodynamic radius suggested the flexible random-coiled conformation in DMSO and relatively more extended, semi-flexible ones in amide solvents/LiCl and NaOHaq. The obtained values of second virial coefficient and weight average molecular weight seemed to be affected by a potential change in differential refractive index increments, caused by selective macrocationization or ionization.

  16. Static and dynamic light scattering studies on dilute polyrotaxane solutions

    International Nuclear Information System (INIS)

    Kume, Tetsuya; Sakai, Yasuhiro; Mayumi, Koichi; Kidowaki, Masatoshi; Yokoyama, Hideaki; Ito, Kohzo; Araki, Jun

    2009-01-01

    Static and dynamic light scattering measurements were performed for dilute polyrotaxane solutions in different types of solvent systems, i.e. dimethylacetamide (DMAc) or dimethylformamide (DMF) containing 1-6 wt% lithium chloride (LiCl), 1 M aqueous sodium hydroxide (NaOH) and dimethylsulfoxide (DMSO). No aggregation of the polyrotaxane in DMF/LiCl was confirmed in the present study. Radius of gyration of the dissolved polyrotaxane was largest in NaOHaq., followed by values in amide solvents/LiCl and that in DMSO, and was probably dominated not by Coulombic repulsion but by the mutual affinity between solvent and polyrotaxane. Ratio of radius of gyration to hydrodynamic radius suggested the flexible random-coiled conformation in DMSO and relatively more extended, semi-flexible ones in amide solvents/LiCl and NaOHaq. The obtained values of second virial coefficient and weight average molecular weight seemed to be affected by a potential change in differential refractive index increments, caused by selective macrocationization or ionization.

  17. Dynamical X-ray scattering from the relaxed structures

    International Nuclear Information System (INIS)

    Benediktovitch, A.; Feranchuk, I.; Ulyanenkov, A.

    2009-01-01

    High-resolution X-ray diffraction is now widely used analytical tool for investigation of nano scale multilayered structures in semiconductor and optical technologies. The HRXRD method delivers unique information on the crystallographic lattice of the samples, concentration of solid solutions, lattice mismatches, layer thicknesses, defect distribution, and relaxation degree of the epitaxial layers. The evaluation of the experimental results, however, requires a robust and precise theory due to complex dynamical scattering of X-rays from near perfect crystallographic structure of the samples. Usually, the Takagi-Taupin approach [1] or the recurrent matrix methods [2] are used for the simulation of the X-ray diffraction profiles from the epitaxial multilayered structures. The use of these theories, however, becomes essentially difficult, when the lateral lattice mismatches are present in multilayers, for example, in the case of partially or fully relaxed epitaxially grown samples. In the present work, the general solution of this problem is found analytically. The angular divergence of the incident beam is also considered and the algorithm for the diffracted profile mapping in the reciprocal space is developed. The experimental reciprocal space mapping of typical AlGaN/GaN/AlN samples with partially relaxed layers is compared to the simulated maps, which describe well the location and character of the diffraction spots caused by different layers. (author)

  18. Charge-dependent conformations and dynamics of pamam dendrimers revealed by neutron scattering and molecular dynamics

    Science.gov (United States)

    Wu, Bin

    Neutron scattering and fully atomistic molecular dynamics (MD) are employed to investigate the structural and dynamical properties of polyamidoamine (PAMAM) dendrimers with ethylenediamine (EDA) core under various charge conditions. Regarding to the conformational characteristics, we focus on scrutinizing density profile evolution of PAMAM dendrimers as the molecular charge of dendrimer increases from neutral state to highly charged condition. It should be noted that within the context of small angle neutron scattering (SANS), the dendrimers are composed of hydrocarbon component (dry part) and the penetrating water molecules. Though there have been SANS experiments that studied the charge-dependent structural change of PAMAM dendrimers, their results were limited to the collective behavior of the aforementioned two parts. This study is devoted to deepen the understanding towards the structural responsiveness of intra-molecular polymeric and hydration parts separately through advanced contrast variation SANS data analysis scheme available recently and unravel the governing principles through coupling with MD simulations. Two kinds of acids, namely hydrochloric and sulfuric acids, are utilized to tune the pH condition and hence the molecular charge. As far as the dynamical properties, we target at understanding the underlying mechanism that leads to segmental dynamic enhancement observed from quasielstic neutron scattering (QENS) experiment previously. PAMAM dendrimers have a wealth of potential applications, such as drug delivery agency, energy harvesting medium, and light emitting diodes. More importantly, it is regarded as an ideal system to test many theoretical predictions since dendrimers conjugate both colloid-like globular shape and polymer-like flexible chains. This Ph.D. research addresses two main challenges in studying PAMAM dendrimers. Even though neutron scattering is an ideal tool to study this PAMAM dendrimer solution due to its matching temporal and

  19. Static and dynamic light scattering by red blood cells: A numerical study.

    Science.gov (United States)

    Mauer, Johannes; Peltomäki, Matti; Poblete, Simón; Gompper, Gerhard; Fedosov, Dmitry A

    2017-01-01

    Light scattering is a well-established experimental technique, which gains more and more popularity in the biological field because it offers the means for non-invasive imaging and detection. However, the interpretation of light-scattering signals remains challenging due to the complexity of most biological systems. Here, we investigate static and dynamic scattering properties of red blood cells (RBCs) using two mesoscopic hydrodynamics simulation methods-multi-particle collision dynamics and dissipative particle dynamics. Light scattering is studied for various membrane shear elasticities, bending rigidities, and RBC shapes (e.g., biconcave and stomatocyte). Simulation results from the two simulation methods show good agreement, and demonstrate that the static light scattering of a diffusing RBC is not very sensitive to the changes in membrane properties and moderate alterations in cell shapes. We also compute dynamic light scattering of a diffusing RBC, from which dynamic properties of RBCs such as diffusion coefficients can be accessed. In contrast to static light scattering, the dynamic measurements can be employed to differentiate between the biconcave and stomatocytic RBC shapes and generally allow the differentiation based on the membrane properties. Our simulation results can be used for better understanding of light scattering by RBCs and the development of new non-invasive methods for blood-flow monitoring.

  20. POLAND`S OUTWARD FOREIGN DIRECT INVESTMENT

    Directory of Open Access Journals (Sweden)

    Buczkowski Bogdan

    2013-07-01

    Full Text Available The paper contributes to the discussion of motives, determinants and effects of outward FDI of companies from emerging economies. We analyze the the scale, structure, geographical location and effects of Polish foreign direct investments as well as we prioritize their determinants. The interest of Polish companies in investing abroad has increased sharply over the last decade, due to the need to broaden the scale of business operations and geographical scope of their economic activities after the Poland`s accession to the European Union.

  1. Impact parameter dynamics in quantum theory in large angle scattering

    International Nuclear Information System (INIS)

    Andriyanov, A.A.

    1975-01-01

    High energy behaviour of a free particle Green's function is studied for construction of the scattering amplitude. The main part of the Green's function is determined by eikonal scattering along the mean moment and by the total scattering along the transfered momentum. This ''impact'' approximation may be included as a first approximation in the iteration scheme for the scattering amplitude along the mean momentum, i.e. the ''impact'' perturbation theory. With the help of the ''impact'' approximation an expansion of the scattering amplitude in the impact parameter depending on interaction is obtained. These expansions are more correct than the eikonal expansions at large angle scattering. The results are illustrated grafically foe the exponential and the Yukawa potentials

  2. Differential dynamic microscopy of weakly scattering and polydisperse protein-rich clusters

    Science.gov (United States)

    Safari, Mohammad S.; Vorontsova, Maria A.; Poling-Skutvik, Ryan; Vekilov, Peter G.; Conrad, Jacinta C.

    2015-10-01

    Nanoparticle dynamics impact a wide range of biological transport processes and applications in nanomedicine and natural resource engineering. Differential dynamic microscopy (DDM) was recently developed to quantify the dynamics of submicron particles in solutions from fluctuations of intensity in optical micrographs. Differential dynamic microscopy is well established for monodisperse particle populations, but has not been applied to solutions containing weakly scattering polydisperse biological nanoparticles. Here we use bright-field DDM (BDDM) to measure the dynamics of protein-rich liquid clusters, whose size ranges from tens to hundreds of nanometers and whose total volume fraction is less than 10-5. With solutions of two proteins, hemoglobin A and lysozyme, we evaluate the cluster diffusion coefficients from the dependence of the diffusive relaxation time on the scattering wave vector. We establish that for weakly scattering populations, an optimal thickness of the sample chamber exists at which the BDDM signal is maximized at the smallest sample volume. The average cluster diffusion coefficient measured using BDDM is consistently lower than that obtained from dynamic light scattering at a scattering angle of 90∘. This apparent discrepancy is due to Mie scattering from the polydisperse cluster population, in which larger clusters preferentially scatter more light in the forward direction.

  3. Complex scattering dynamics and the integer quantum Hall effect

    International Nuclear Information System (INIS)

    Trugman, S.A.; Waugh, F.R.

    1987-01-01

    The effect of a magnetic field on potential scattering is investigated microscopically. A magnetic field renders the scattering of a classical charged particle far more complex than previously suspected. Consequences include possible 1/f noise and an explanation of the observed breakdown of the quantum Hall effect at large currents. A particular scatterer is described by a discontinuous one dimensional Hamiltonian map, a class of maps that has not previously been studied. A renormalization group analysis indicates that singular behavior arises from the interplay of electron orbits that are periodic and orbits that are quasiperiodic

  4. Eikonal form of the dynamic polarization potential and its application to the scattering of exotic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Canto, L F; Donangelo, R [Universidade Federal do Rio de Janeiro, RJ (Brazil). Inst. de Fisica; Hussein, M S [Sao Paulo Univ. (Brazil). Inst. de Fisica

    1991-07-01

    The eikonal theory of the dynamic polarization potential (DDP) is developed. Application to the scattering of loosely bound exotic nuclei is made. In particular, the effect of our DPP on the scattering of {sup 11}Li+{sup 12}C at 85 AxMeV is discussed. (orig.).

  5. Effects of absorption on coherence domain path length resolved dynamic light scattering in the diffuse regime

    NARCIS (Netherlands)

    Petoukhova, A. L.; Steenbergen, W.; van Leeuwen, T. G.; de Mul, F. F. M.

    2002-01-01

    A low coherence Mach-Zehnder interferometer is developed for path length resolved dynamic light scattering in highly turbid media. The path length distribution of multiply scattered photons in Intralipid is changed by the addition of absorbing dyes. Path length distributions obtained for various

  6. Nuclear and partonic dynamics in high energy elastic nucleus-nucleus scattering

    International Nuclear Information System (INIS)

    Malecki, A.

    1991-01-01

    A hybrid description of diffraction which combines a geometrical modelling of multiple scattering with many-channel effects resulting from intrinsic dynamics on nuclear and sub-nuclear level is presented. The application to the 4 He- 4 He elastic scattering is very satisfactory. Our analysis suggests that at large momentum transfers the parton constituents of nucleons immersed in nuclei are deconfined. (author)

  7. SCATTER

    International Nuclear Information System (INIS)

    Broome, J.

    1965-11-01

    The programme SCATTER is a KDF9 programme in the Egtran dialect of Fortran to generate normalized angular distributions for elastically scattered neutrons from data input as the coefficients of a Legendre polynomial series, or from differential cross-section data. Also, differential cross-section data may be analysed to produce Legendre polynomial coefficients. Output on cards punched in the format of the U.K. A. E. A. Nuclear Data Library is optional. (author)

  8. Dynamic effects on cyclotron scattering in pulsar accretion columns

    International Nuclear Information System (INIS)

    Brainerd, J.J.; Meszaros, P.

    1991-01-01

    A resonant scattering model for photon reprocessing in a pulsar accretion column is presented. The accretion column is optically thin to Thomson scattering and optically thick to resonant scattering at the cyclotron frequency. Radiation from the neutron star surface propagates freely through the column until the photon energy equals the local cyclotron frequency, at which point the radiation is scattered, much of it back toward the star. The radiation pressure in this regime is insufficient to stop the infall. Some of the scattered radiation heats the stellar surface around the base of the column, which adds a softer component to the spectrum. The partial blocking by the accretion column of X-rays from the surface produces a fan beam emission pattern. X-rays above the surface cyclotron frequency freely escape and are characterized by a pencil beam. Gravitational light bending produces a pencil beam pattern of column-scattered radiation in the antipodal direction, resulting in a strongly angle-dependent cyclotron feature. 31 refs

  9. Studies of molecular dynamics with neutron scattering techniques. Part of a coordinated programme on neutron scattering techniques

    International Nuclear Information System (INIS)

    Vinhas, L.A.

    1980-05-01

    Molecular dynamics was studied in samples of tert-butanol, cyclohexanol and methanol, using neutron inelastic and quasi-elastic techniques. The frequency spectra of cyclohexanol in crystalline phase were interpreted by assigning individual energy peaks to hindered rotation of molecules, lattice vibration, hydrogen bond stretching and ring bending modes. Neutron quasi-elastic scattering measurements permitted the testing of models for molecular diffusion as a function of temperature. The interpretation of neutron incoherent inelastic scattering on methanol indicated the different modes of molecular dynamics in this material; individual inelastic peaks in the spectra could be assigned to vibrations of crystalline lattice, stretching of hydrogen bond and vibrational and torsional modes of CH 3 OH molecule. The results of the experimental work on tertbutanol indicate two distinct modes of motion in this material: individual molecular librations are superposed to a cooperative rotation diffusion which occurs both in solid and in liquid state

  10. Elastic scattering dynamics of cavity polaritons: Evidence for time-energy uncertainty and polariton localization

    DEFF Research Database (Denmark)

    Langbein, Wolfgang Werner; Hvam, Jørn Märcher

    2002-01-01

    The directional dynamics of the resonant Rayleigh scattering from a semiconductor microcavity is investigated. When optically exciting the lower polariton branch, the strong dispersion results in a directional emission on a ring. The coherent emission ring shows a reduction of its angular width...... for increasing time after excitation, giving direct evidence for the time-energy uncertainty in the dynamics of the scattering by disorder. The ring width converges with time to a finite value, a direct measure of an intrinsic momentum broadening of the polariton states localized by multiple disorder scattering....

  11. Field-based dynamic light scattering microscopy: theory and numerical analysis.

    Science.gov (United States)

    Joo, Chulmin; de Boer, Johannes F

    2013-11-01

    We present a theoretical framework for field-based dynamic light scattering microscopy based on a spectral-domain optical coherence phase microscopy (SD-OCPM) platform. SD-OCPM is an interferometric microscope capable of quantitative measurement of amplitude and phase of scattered light with high phase stability. Field-based dynamic light scattering (F-DLS) analysis allows for direct evaluation of complex-valued field autocorrelation function and measurement of localized diffusive and directional dynamic properties of biological and material samples with high spatial resolution. In order to gain insight into the information provided by F-DLS microscopy, theoretical and numerical analyses are performed to evaluate the effect of numerical aperture of the imaging optics. We demonstrate that sharp focusing of fields affects the measured diffusive and transport velocity, which leads to smaller values for the dynamic properties in the sample. An approach for accurately determining the dynamic properties of the samples is discussed.

  12. Structure and dynamics of nonaqueous electrolyte solutions by small angle neutron scattering, brownian dynamics and primitive model theories

    International Nuclear Information System (INIS)

    Kunz, W.; Turq, P.

    1990-01-01

    The study of electrolyte solutions by small angle neutron scattering (static) of quasi-elastic neutron scattering (dynamics) gives new perspectives to the primitive model of electrolytes, for both static and dynamic properties of those systems. Whereas all properties can be interpreted by brownian dynamics, integral equations cannot be used at the present time to get transport coefficients in all cases. As regards the choice of the potentials at the McMillan Mayer level, specific Gurney terms for solvation are not needed for tetraalkylammonium salts. (orig.)

  13. Lattice dynamics of solid deuterium by inelastic neutron scattering

    DEFF Research Database (Denmark)

    Nielsen, Mourits; Bjerrum Møller, Hans

    1971-01-01

    The dispersion relations for phonons in solid ortho-deuterium have been measured at 5 °K by inelastic neutron scattering. The results are in good agreement with recent calculations in which quantum effects are taken into account. The data have been fitted to a third-neighbor general force model...

  14. Dynamics of Magnetic Nanoparticles Studied by Neutron Scattering

    DEFF Research Database (Denmark)

    Hansen, Mikkel Fougt; Bødker, Franz; Mørup, Steen

    1997-01-01

    We present the first triple-axis neutron scattering measurements of magnetic fluctuations in nanoparticles using an antiferromagnetic reflection. Both the superparamagnetic relaxation and precession modes in similar to 15 nm hematite particles are: observed. The results have been consistently...... analyzed on the basis of a simple model with uniaxial anisotropy and the Neel-Brown theory for the relaxation....

  15. Spin dynamics in Tb studied by critical neutron scattering

    DEFF Research Database (Denmark)

    Dietrich, O. W.; Als-Nielsen, Jens Aage

    1971-01-01

    The inelasticity of the critical neutron scattering in Tb was measured at and above the Neel temperature. In the hydrodynamic region the line width Gamma (q=0, kappa 1)=C kappa z1, with z=1.4+or-0.1 and c=4.3+or-0.3 meVAAz. This result deviates from the conventional theory, which predicts...

  16. Nonlinear problems in fluid dynamics and inverse scattering: Nonlinear waves and inverse scattering

    Science.gov (United States)

    Ablowitz, Mark J.

    1994-12-01

    Research investigations involving the fundamental understanding and applications of nonlinear wave motion and related studies of inverse scattering and numerical computation have been carried out and a number of significant results have been obtained. A class of nonlinear wave equations which can be solved by the inverse scattering transform (IST) have been studied, including the Kadaomtsev-Petviashvili (KP) equation, the Davey-Stewartson equation, and the 2+1 Toda system. The solutions obtained by IST correspond to the Cauchy initial value problem with decaying initial data. We have also solved two important systems via the IST method: a 'Volterra' system in 2+1 dimensions and a new one dimensional nonlinear equation which we refer to as the Toda differential-delay equation. Research in computational chaos in moderate to long time numerical simulations continues.

  17. The electron beam dynamics simulation in the laser-electron storage ring involving compton and intrabeam scattering

    International Nuclear Information System (INIS)

    Gladkikh, P.I.; Telegin, Yu.N.; Karnaukhov, I.M.

    2002-01-01

    The feasibility of the development of intense X-ray sources based on Compton scattering in laser-electron storage rings is discussed. The results of the electron beam dynamics simulation involving Compton and intrabeam scattering are presented

  18. The electron beam dynamics simulation in the laser-electron storage ring involving compton and intrabeam scattering

    CERN Document Server

    Gladkikh, P I; Karnaukhov, I M

    2002-01-01

    The feasibility of the development of intense X-ray sources based on Compton scattering in laser-electron storage rings is discussed. The results of the electron beam dynamics simulation involving Compton and intrabeam scattering are presented.

  19. Observing Solvation Dynamics with Simultaneous Femtosecond X-ray Emission Spectroscopy and X-ray Scattering

    DEFF Research Database (Denmark)

    Haldrup, Kristoffer; Gawelda, Wojciech; Abela, Rafael

    2016-01-01

    and structural changes, and local solvent structural changes are desired. We have studied the intra- and intermolecular dynamics of a model chromophore, aqueous [Fe(bpy)3]2+, with complementary X-ray tools in a single experiment exploiting intense XFEL radiation as a probe. We monitored the ultrafast structural...... rearrangement of the solute with X-ray emission spectroscopy, thus establishing time zero for the ensuing X-ray diffuse scattering analysis. The simultaneously recorded X-ray diffuse scattering atterns reveal slower subpicosecond dynamics triggered by the intramolecular structural dynamics of the photoexcited...

  20. Spin dynamics above the Curie temperature studied by neutron scattering

    International Nuclear Information System (INIS)

    Steinsvoll, O.; Riste, T.

    1986-01-01

    Neutron scattering can in principle give information about magnetic fluctuations over the entire atomic space and time domain. The weakness of the neutron-matter interaction renders this information undistorted by the neutron probe, but at the same time puts intensity limitations on the method. A considerable number of studies on the magnetism of 3d metals have been performed at some of the larger reactor laboratories. In the regions of overlap the experimental results from the different laboratories are consistent, but the interpretations are along different lines. Among the controversial issues are itinerancy versus localization, the degree of order above T C . In our talk we shall give an introduction to the neutron scattering method, including some of the sophisticated polarized beam methods. In the rest of the talk we shall review recent experimental results and some of the theoretical models used in their interpretation. (orig.)

  1. Orbital Dynamics of Exomoons During Planet–Planet Scattering

    Science.gov (United States)

    Hong, Yu-Cian; Lunine, Jonathan I.; Nicholson, Philip; Raymond, Sean N.

    2018-04-01

    Planet–planet scattering is the leading mechanism to explain the broad eccentricity distribution of observed giant exoplanets. Here we study the orbital stability of primordial giant planet moons in this scenario. We use N-body simulations including realistic oblateness and evolving spin evolution for the giant planets. We find that the vast majority (~80%–90% across all our simulations) of orbital parameter space for moons is destabilized. There is a strong radial dependence, as moons past are systematically removed. Closer-in moons on Galilean-moon-like orbits (system, be captured by another planet, be ejected but still orbiting its free-floating host planet, or survive on heliocentric orbits as "planets." The survival rate of moons increases with the host planet mass but is independent of the planet's final (post-scattering) orbits. Based on our simulations, we predict the existence of an abundant galactic population of free-floating (former) moons.

  2. Studying the dynamics of colloidal particles with digital holographic microscopy and electromagnetic scattering solutions

    Directory of Open Access Journals (Sweden)

    V. N. Manoharan

    2011-09-01

    Full Text Available Digital holographic microscopy (DHM can measure the 3D positions as well as the scattering properties of colloidal particles in a single 2D image. We describe DHM and our analysis of recorded holograms with exact scattering solutions, which permit the measurement of 3D particle positions with ∼10 nm precision and millisecond time resolution, and discuss studies of the Brownian dynamics of clusters of spheres with DHM.

  3. Analysis of critical neutron- scattering data from iron and dynamical scaling theory

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage

    1970-01-01

    Experimental three- axis spectrometer data of critical neutron- scattering data from Fe are reanalyzed and compared with the recent theoretical prediction by P. Resibois and C. Piette. The reason why the spin- diffusion parameter did not obey the prediction of dynamical scaling theory is indicated....... Double- axis spectrometer data have previously been interpreted in terms of a non- Lorentzian susceptibility. It is shown that with proper corrections for the inelasticity of the scattering the data are consistent with a Lorentzian form of susceptibility....

  4. Neutron scattering studies of the dynamics of biopolymer-water systems using pulsed-source spectrometers

    Energy Technology Data Exchange (ETDEWEB)

    Middendorf, H.D. [Univ. of Oxford (United Kingdom); Miller, A. [Stirling Univ., Stirling (United Kingdom)

    1994-12-31

    Energy-resolving neutron scattering techniques provide spatiotemporal data suitable for testing and refining analytical models or computer simulations of a variety of dynamical processes in biomolecular systems. This paper reviews experimental work on hydrated biopolymers at ISIS, the UK Pulsed Neutron Facility. Following an outline of basic concepts and a summary of the new instrumental capabilities, the progress made is illustrated by results from recent experiments in two areas: quasi- elastic scattering from highly hydrated polysaccharide gels (agarose and hyaluronate), and inelastic scattering from vibrational modes of slightly hydrated collagen fibers.

  5. Fast-ion dynamics in the TEXTOR tokamak measured by collective Thomson scattering

    DEFF Research Database (Denmark)

    Bindslev, H.; Nielsen, S.K.; Porte, L.

    2006-01-01

    Here we present the first measurements by collective Thomson scattering of the evolution of fast-ion populations in a magnetically confined fusion plasma. 150 kW and 110 Ghz radiation from a gyrotron were scattered in the TEXTOR tokamak plasma with energetic ions generated by neutral beam injection...... and ion cyclotron resonance heating. The temporal behavior of the spatially resolved fast-ion velocity distribution is inferred from the received scattered radiation. The fast-ion dynamics at sawteeth and the slowdown after switch off of auxiliary heating is resolved in time. The latter is shown...

  6. Neutron scattering studies of the dynamics of biopolymer-water systems using pulsed-source spectrometers

    International Nuclear Information System (INIS)

    Middendorf, H.D.; Miller, A.

    1994-01-01

    Energy-resolving neutron scattering techniques provide spatiotemporal data suitable for testing and refining analytical models or computer simulations of a variety of dynamical processes in biomolecular systems. This paper reviews experimental work on hydrated biopolymers at ISIS, the UK Pulsed Neutron Facility. Following an outline of basic concepts and a summary of the new instrumental capabilities, the progress made is illustrated by results from recent experiments in two areas: quasi- elastic scattering from highly hydrated polysaccharide gels (agarose and hyaluronate), and inelastic scattering from vibrational modes of slightly hydrated collagen fibers

  7. Dynamics of molecular stereochemistry via oriented molecule scattering

    International Nuclear Information System (INIS)

    Parker, D.H.; Jalink, H.; Stolte, S.

    1987-01-01

    Crossed-beam reactive scattering experiments employing electrostatic hexapole fields to control the initial collision geometry of chemical reactions are described. New results are presented on the reactions of oriented NO with ozone and oriented N 2 O with Ba. Preliminary results are also given for the oriented CH 3 F + Ca* → CaF* + CH 3 reaction. Recent technical advances in state selection and product detection are detailed. They discuss the effects of rotational coupling and nonzero impact parameters in changing the molecular precollisions orientation selected by the hexapole fields to a different in-collision orientation at the moment of impact with the reaction partner. Uncoupling of l doubling in N 2 O at strong orientation fields is demonstrated via the observed reactive anisotropy. Steric effects are found to govern many aspects of the reactions investigated thus far. Strong correlations are observed of the reactivity, product recoil, and rotational angular momentum distributions with the collisional orientation. These correlations ultimately provide information on the anisotropic part of the reaction potential energy surface. They conclude with a brief outline of possible future directions in oriented molecule scattering

  8. Structural dynamics of surfaces by ultrafast electron crystallography: experimental and multiple scattering theory.

    Science.gov (United States)

    Schäfer, Sascha; Liang, Wenxi; Zewail, Ahmed H

    2011-12-07

    Recent studies in ultrafast electron crystallography (UEC) using a reflection diffraction geometry have enabled the investigation of a wide range of phenomena on the femtosecond and picosecond time scales. In all these studies, the analysis of the diffraction patterns and their temporal change after excitation was performed within the kinematical scattering theory. In this contribution, we address the question, to what extent dynamical scattering effects have to be included in order to obtain quantitative information about structural dynamics. We discuss different scattering regimes and provide diffraction maps that describe all essential features of scatterings and observables. The effects are quantified by dynamical scattering simulations and examined by direct comparison to the results of ultrafast electron diffraction experiments on an in situ prepared Ni(100) surface, for which structural dynamics can be well described by a two-temperature model. We also report calculations for graphite surfaces. The theoretical framework provided here allows for further UEC studies of surfaces especially at larger penetration depths and for those of heavy-atom materials. © 2011 American Institute of Physics

  9. Quasielastic neutron scattering and microscopic dynamics of liquid ethylene glycol

    Energy Technology Data Exchange (ETDEWEB)

    Sobolev, O. [Laboratoire de Geophysique Interne et Tectonophysique, BP 53, Maison des Geosciences - Domaine Universitaire, 38041 Grenoble, Cedex 9 (France)], E-mail: Oleg.Sobolev@ujf-grenoble.fr; Novikov, A. [Institute for Physics and Power Engineering, Bondarenko Sq. 1, Obninsk, Kaluga Reg. 249033 (Russian Federation); Pieper, J. [Technische Universitaet Berlin, Strasse des 17, Juni 135, D-10623 Berlin (Germany)

    2007-04-20

    Quasielastic neutron scattering (QENS) by liquid ethylene glycol was analyzed using different model approaches. It was found that approximation of the QENS spectra by a set of Lorentzian functions corresponding to the translational and rotational motions produce physically unrealistic results. At the same time, the Fourier transform of the stretched-exponential function exp(-(t/{tau}){sup {beta}}) fits the experimental data well, and results of the fit are in good agreement with those obtained earlier for other systems. The stretching parameter {beta} was found Q independent and shows weak temperature dependence. The mean relaxation time as a function of Q departs strongly from the simple diffusion low and can be approximated by a power law <{tau}{sub w}> = {tau}{sub 0}Q{sup -{gamma}} with the exponent parameter {gamma} = 2.4.

  10. Dynamics of proteins and of their hydration layer studied by neutron scattering and additional biophysical methods

    International Nuclear Information System (INIS)

    Gallat, Francois-Xavier

    2011-01-01

    This thesis work focused on the dynamics of proteins, surrounded by their hydration layer, a water shell around the protein vital for its biological function. Each of these components is accompanied by a specific dynamics which union reforms the complex energy landscape of the system. The joint implementation of selective deuteration, incoherent neutron scattering and tera-hertz spectroscopy allowed to explore the dynamics of proteins and that of the hydration shell. The influence of the folding state of protein on its dynamics has been studied by elastic neutron scattering. Globular proteins were less dynamic than its intrinsically disordered analogues. Themselves appear to be stiffer than non-physiological unfolded proteins. The oligomerization state and the consequences on the dynamics were investigated. Aggregates of a globular protein proved to be more flexible than the soluble form. In contrast, aggregates of a disordered protein showed lower average dynamics compared to the soluble form. These observations demonstrate the wide range of dynamics among the proteome. Incoherent neutron scattering experiences on the hydration layer of globular and disordered proteins have yielded information on the nature of water motion around these proteins. The measurements revealed the presence of translational motions concomitant with the onset of the transition dynamics of hydration layers, at 220 K. Measurements have also shown a stronger coupling between a disordered protein and its hydration water, compared to a globular protein and its hydration shell. The nature of the hydration layer and its influence on its dynamics has been explored with the use of polymers that mimic the water behavior and that act as a source of flexibility for the protein. Eventually, the dynamics of methyl groups involved in the dynamical changes observed at 150 and 220 K, was investigated. (author) [fr

  11. Theory of phonon inelastic atom--surface scattering. I. Quantum mechanical treatment of collision dynamics

    International Nuclear Information System (INIS)

    Choi, B.H.; Poe, R.T.

    1985-01-01

    We present a systematic formulation of the atom--surface scattering dynamics which includes the vibrational states of the atoms in the solid (phonons). The properties of the total scattering wave function of the system, a representation of the interaction potential matrix, and the characteristics of the independent physical solutions are all derived from the translational invariance of the full Hamiltonian. The scattering equations in the integral forms as well as the related Green functions were also obtained. The configurational representations of the Green functions, in particular, are quite different from those of the conventional scattering theory where the collision partners are spatially localized. Various versions of the integral expression of scattering, transition, and reactance matrices were also obtained. They are useful for introducing approximation schemes. From the present formulation, some specific theoretical schemes which are more realistic compared to those that have been employed so far and at the same time capable of yielding effective ab initio computation are derived in the following paper. The time reversal invariance and the microscopic reversibility of the atom--surface scattering were discussed. The relations between the in and outgoing scattering wave functions which are satisfied in the atom--surface system and important in the transition matrix methods were presented. The phonon annihilation and creation, and the adsorption and desorption of the atom are related through the time reversal invariance, and thus the microscopic reversibility can be tested by the experiment

  12. High Precision Stokes Polarimetry for Scattering Light using Wide Dynamic Range Intensity Detector

    Directory of Open Access Journals (Sweden)

    Shibata Shuhei

    2015-01-01

    Full Text Available This paper proposes a Stokes polarimetry for scattering light from a sample surface. To achieve a high accuracy measurement two approaches of an intensity detector and analysis algorism of a Stokes parameter were proposed. The dynamic range of this detector can achieve up to 1010 by combination of change of neutral-density (ND filters having different density and photon counting units. Stokes parameters can be measured by dual rotating of a retarder and an analyzer. The algorism of dual rotating polarimeter can be calibrated small linear diattenuation and linear retardance error of the retarder. This system can measured Stokes parameters from −20° to 70° of its scattering angle. It is possible to measure Stokes parameters of scattering of dust and scratch of optical device with high precision. This paper shows accuracy of this system, checking the polarization change of scattering angle and influence of beam size.

  13. Dynamically Polarized Sample for Neutron Scattering At the Spallation Neutron Source

    International Nuclear Information System (INIS)

    Pierce, Josh; Zhao, J. K.; Crabb, Don

    2009-01-01

    The recently constructed Spallation Neutron Source at the Oak Ridge National Laboratory is quickly becoming the world's leader in neutron scattering sciences. In addition to the world's most intense pulsed neutron source, we are continuously constructing state of the art neutron scattering instruments as well as sample environments to address today and tomorrow's challenges in materials research. The Dynamically Polarized Sample project at the SNS is aimed at taking maximum advantage of polarized neutron scattering from polarized samples, especially biological samples that are abundant in hydrogen. Polarized neutron scattering will allow us drastically increase the signal to noise ratio in experiments such as neutron protein crystallography. The DPS project is near completion and all key components have been tested. Here we report the current status of the project.

  14. Dynamics and denaturation of a protein. Simulations and neutron scattering on staphylococcus nuclease

    International Nuclear Information System (INIS)

    Goupil-Lamy, Anne

    1997-01-01

    This research thesis reports simulations and experiments of inelastic scattering on the whole frequency spectrum to analyse the vibrations of the staphylococcus nuclease and its fragment, in order to study protein folding. Based on these experiments, information on eigenvectors which describe vibration modes can be directly obtained. Inelastic intensities are indeed fully determined by nuclear cross sections and the mean square displacement of each atom. Some experimentally noticed peaks are then explained by calculating a theoretical spectrum from an analysis of normal modes. The studied fragment is made of 136 c-terminal residues. The fragment structure obtained by molecular dynamics simulation is compared with available experimental data. Then, experiments of neutron scattering on the nuclease of staphylococcus and its fragment have been performed. Quasi elastic scattering spectra have been measured. The author then used simulations to try to reproduce the quasi-elastic spectrum. Experiments of inelastic scattering have then been performed [fr

  15. Low frequency enzyme dynamics as a function of temperature and hydration: A neutron scattering study

    Energy Technology Data Exchange (ETDEWEB)

    Kurkal, V. [Interdisciplinary Center for Scientific Computing (IWR), University of Heidelberg, Im Neuenheimer Feld 368, D-69120 Heidelberg (Germany); Daniel, R.M. [Department of Biological Sciences, University of Waikato, Private Bag 3105, Hamilton (New Zealand); Finney, John L. [Department of Physics and Astronomy, University college, London, Gower Street, London WC1E 6BT, England (United Kingdom); Tehei, M. [Department of Biological Sciences, University of Waikato, Private Bag 3105, Hamilton (New Zealand); Dunn, R.V. [Department of Biological Sciences, University of Waikato, Private Bag 3105, Hamilton (New Zealand); Smith, Jeremy C. [Interdisciplinary Center for Scientific Computing (IWR), University of Heidelberg, Im Neuenheimer Feld 368, D-69120 Heidelberg (Germany)], E-mail: biocomputing@iwr.uni-heidelberg.de

    2005-10-31

    The effect of hydration and temperature on the low-frequency dynamics of the enzyme Pig liver esterase has been investigated with incoherent neutron scattering experiments. The results suggest that at low temperature, increasing hydration results in lower flexibility of the protein. At higher temperatures, systems containing sufficient number of water molecules interacting with the protein exhibit increased flexibility. The environmental force constants indicate that the environment of the protein is more rigid below than it is above the dynamical transition temperature.

  16. The Crossed-Beam Scattering Method in Studies of Ion-Molecule Reaction Dynamics

    Czech Academy of Sciences Publication Activity Database

    Herman, Zdeněk

    2001-01-01

    Roč. 212, - (2001), s. 413-443 ISSN 1387-3806 R&D Projects: GA ČR GA203/00/0632 Institutional research plan: CEZ:AV0Z4040901 Keywords : ion-molecule reaction dynamics * ion scattering * experimental methods Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.176, year: 2001

  17. Dynamics of chemical reactions of multiply-charged cations: Information from beam scattering experiments

    Czech Academy of Sciences Publication Activity Database

    Herman, Zdeněk

    2015-01-01

    Roč. 378, FEB 2015 (2015), s. 113-126 ISSN 1387-3806 Institutional support: RVO:61388955 Keywords : Multiply-charged ions * Dynamics of chemical reactions * Beam scattering Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.183, year: 2015

  18. Hydration of Hydroxyl and Amino Groups Examined by Molecular Dynamics and Neutron Scattering

    Czech Academy of Sciences Publication Activity Database

    Hladílková, Jana; Fischer, H. E.; Jungwirth, Pavel; Mason, Philip E.

    2015-01-01

    Roč. 119, č. 21 (2015), s. 6357-6365 ISSN 1520-6106 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : neutron scattering * molecular dynamics * isopropyl alcohol * isopropylamine Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.187, year: 2015

  19. Accounting for Electronic Polarization Effects in Aqueous Sodium Chloride via Molecular Dynamics Aided by Neutron Scattering

    Czech Academy of Sciences Publication Activity Database

    Kohagen, Miriam; Mason, Philip E.; Jungwirth, Pavel

    2016-01-01

    Roč. 120, č. 8 (2016), s. 1454-1460 ISSN 1520-6106 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : molecular dynamics * neutron scattering * agueous sodium chloride Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.177, year: 2016

  20. Effects of absorption on coherence domain path length resolved dynamic light scattering in the diffuse regime

    NARCIS (Netherlands)

    Petoukhova, Anna; Steenbergen, Wiendelt; van Leeuwen, Ton; de Mul, F.F.M.

    2002-01-01

    A low coherence Mach–Zehnder interferometer is developed for path length resolved dynamic light scattering in highly turbid media. The path length distribution of multiply scatteredphotons in Intralipid is changed by the addition of absorbing dyes. Path length distributions obtained for various

  1. Dynamics of fast ions during sawtooth oscillations in the TEXTOR tokamak measured by collective Thomson scattering

    DEFF Research Database (Denmark)

    Nielsen, Stefan Kragh; Salewski, Mirko; Bindslev, Henrik

    2011-01-01

    Experimental investigations of sawteeth interaction with fast ions measured by collective Thomson scattering on TEXTOR are presented. Time-resolved measurements of localized 1D fast-ion distribution functions allow us to study fast-ion dynamics during several sawtooth cycles. Sawtooth oscillation...

  2. Spray Modeling for Outwardly-Opening Hollow-Cone Injector

    KAUST Repository

    Sim, Jaeheon; Badra, Jihad; Elwardani, Ahmed Elsaid; Im, Hong G.

    2016-01-01

    linear instability sheet atomization (LISA) model was originally developed for pressure swirl hollow-cone injectors with moderate spray angle and toroidal ligament breakups. Therefore, it is not appropriate for the outwardly-opening injectors having wide

  3. Structure and dynamics of concentrated dispersions of polystyrene latex spheres in glycerol: Static and dynamic x-ray scattering

    International Nuclear Information System (INIS)

    Lumma, D.; Lurio, L. B.; Borthwick, M. A.; Falus, P.; Mochrie, S. G. J.

    2000-01-01

    X-ray photon correlation spectroscopy and small-angle x-ray scattering measurements are applied to characterize the dynamics and structure of concentrated suspensions of charge-stabilized polystyrene latex spheres dispersed in glycerol, for volume fractions between 2.7% and 52%. The static structures of the suspensions show essentially hard-sphere behavior. The short-time dynamics shows good agreement with predictions for the wave-vector-dependent collective diffusion coefficient, which are based on a hard-sphere model [C. W. J. Beenakker and P. Mazur, Physica A 126, 349 (1984)]. However, the intermediate scattering function is found to violate a scaling behavior found previously for a sterically stabilized hard-sphere suspension [P. N. Segre and P. N. Pusey, Phys. Rev. Lett. 77, 771 (1996)]. Our measurements are parametrized in terms of a viscoelastic model for the intermediate scattering function [W. Hess and R. Klein, Adv. Phys. 32, 173 (1983)]. Within this framework, two relaxation modes are predicted to contribute to the decay of the dynamic structure factor, with mode amplitudes depending on both wave vector and volume fraction. Our measurements indicate that, for particle volume fractions smaller than about 0.30, the intermediate scattering function is well described in terms of single-exponential decays, whereas a double-mode structure becomes apparent for more concentrated systems

  4. Business groups' outward FDI: A managerial resources perspective

    OpenAIRE

    Tan, D C; Meyer, Klaus E

    2010-01-01

    Outward FDI strategies are driven by firms' resource endowments, which in turn are conditioned by their home environment. In emerging economies, thus, the pattern of outward FDI is shaped by local firms' idiosyncratic contexts and the resources that these firms developed to fit the contexts. This includes business groups, a dominant organizational form in many emerging economies, competing with context-bound resources. When they wish to transcend their home context, they need internationally ...

  5. Characterization of nanoparticles of lidocaine in w/o microemulsions using small-angle neutron scattering and dynamic light scattering

    International Nuclear Information System (INIS)

    Shukla, A.; Kiselev, M.A.; Hoell, A.; Neubert, R.H.H.

    2004-01-01

    Microemulsions (MEs) are of special interest because a variety of reactants can be introduced into the nanometer-sized aqueous domains, leading to materials with controlled size and shape. In the past few years, significant research has been conducted in the reverse ME-mediated synthesis of organic nanoparticles. In this study, a w/o ME medium was employed for the synthesis of lidocaine by direct precipitation in w/o microemulsion systems: water/isopropylpalmitat/Tween80/Span80. The particle size as well as the location of nanoparticles in the ME droplet were characterized by means of dynamic light scattering (DLS) and small angle neutron scattering (SANS). It is observed that lidocaine precipitated in the aqueous cores because of its insolubility in water. Hydrodynamic radius and gyration radius of microemulsion droplets were estimated as ∼15 nm and ∼4.50 nm from DLS and SANS respectively. Furthermore, different size parameters obtained by DLS and SANS experiments were compared. (author)

  6. Characterization of nanoparticles of lidocaine in w/o microemulsions using small-angle neutron scattering and dynamic light scattering

    Science.gov (United States)

    Shukla, A.; Kiselev, M. A.; Hoell, A.; Neubert, R. H. H.

    2004-08-01

    Microemulsions (MEs) are of special interest because a variety of Reactants can be introduced into the nanometer-sized aqueous domains, leading to materials with controlled size and shape [1,2]. In the past few years, significant research has been conducted in the reverse ME-mediated synthesis of organic nanoparticles [3,4]. In this study, a w/o ME medium was employed for the synthesis of lidocaine by direct precipitation in w/o microemulsion systems: water/isopropylpalmitat/Tween80/Span80. The particle size as well as the location of nanoparticles in the ME droplet were characterized by means of dynamic light scattering (DLS) and small angle neutron scattering (SANS). It is observed that lidocaine precipitated in the aqueous cores because of its insolubility in water. Hydrodynamic radius and gyration radius of microemulsion droplets were estimated as ~15 nm and ~4.50 nm from DLS and SANS respectively. Furthermore, different size parameters obtained by DLS and SANS experiments were compared

  7. Phenylene ring dynamics in bisphenol-A-polysulfone by neutron scattering

    International Nuclear Information System (INIS)

    Arrese-Igor, S.; Arbe, A.; Alegria, A.; Colmenero, J.; Frick, B.

    2004-01-01

    We have investigated the dynamics of phenylene rings in a glassy polysulfone (bisphenol-A-polysulfone) by means of quasielastic neutron scattering. Nowadays it is well known that these molecular motions are directly connected with the mechanical properties of engineering thermoplastics in general. The particular system investigated by us has the advantage that by selective deuteration of the methyl groups, the neutron scattering measured is dominated by the incoherent contribution from the protons in the phenylene rings. In this way, the dynamics of such molecular groups can be experimentally isolated. Two different types of neutron spectrometers: time of flight and backscattering, were used in order to cover a wide dynamic range, which extends from microscopic (10 -13 s) to mesoscopic (10 -9 s) times. Moreover, neutron diffraction experiments with polarization analysis were also carried out in order to characterize the structural features of the sample investigated. Fast oscillations of increasing amplitude with temperature and π-flips are identified for phenylene rings motions. Due to the structural disorder characteristic of the amorphous state, both molecular motions display a broad distribution of relaxation times, which spreads over several orders of magnitude. Based on the results obtained, we propose a model for phenylene rings dynamics, which combines the two kinds of molecular motions identified. This model nicely describes the neutron scattering results in the whole dynamic range investigated

  8. Dynamics of crystalline acetanilide: Analysis using neutron scattering and computer simulation

    Science.gov (United States)

    Hayward, R. L.; Middendorf, H. D.; Wanderlingh, U.; Smith, J. C.

    1995-04-01

    The unusual temperature dependence of several optical spectroscopic vibrational bands in crystalline acetanilide has been interpreted as providing evidence for dynamic localization. Here we examine the vibrational dynamics of crystalline acetanilide over a spectral range of ˜20-4000 cm-1 using incoherent neutron scattering experiments, phonon normal mode calculations and molecular dynamics simulations. A molecular mechanics energy function is parametrized and used to perform the normal mode analyses in the full configurational space of the crystal i.e., including the intramolecular and intermolecular degrees of freedom. One- and multiphonon incoherent inelastic neutron scattering intensities are calculated from harmonic analyses in the first Brillouin zone and compared with the experimental data presented here. Phonon dispersion relations and mean-square atomic displacements are derived from the harmonic model and compared with data derived from coherent inelastic neutron scattering and neutron and x-ray diffraction. To examine the temperature effects on the vibrations the full, anharmonic potential function is used in molecular dynamics simulations of the crystal at 80, 140, and 300 K. Several, but not all, of the spectral features calculated from the molecular dynamics simulations exhibit temperature-dependent behavior in agreement with experiment. The significance of the results for the interpretation of the optical spectroscopic results and possible improvements to the model are discussed.

  9. Non-Markovian dynamics of a qubit due to single-photon scattering in a waveguide

    Science.gov (United States)

    Fang, Yao-Lung L.; Ciccarello, Francesco; Baranger, Harold U.

    2018-04-01

    We investigate the open dynamics of a qubit due to scattering of a single photon in an infinite or semi-infinite waveguide. Through an exact solution of the time-dependent multi-photon scattering problem, we find the qubit's dynamical map. Tools of open quantum systems theory allow us then to show the general features of this map, find the corresponding non-Linbladian master equation, and assess in a rigorous way its non-Markovian nature. The qubit dynamics has distinctive features that, in particular, do not occur in emission processes. Two fundamental sources of non-Markovianity are present: the finite width of the photon wavepacket and the time delay for propagation between the qubit and the end of the semi-infinite waveguide.

  10. Direct Observation of Insulin Association Dynamics with Time-Resolved X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Rimmerman, Dolev [Department; Leshchev, Denis [Department; Hsu, Darren J. [Department; Hong, Jiyun [Department; Kosheleva, Irina [Center; Chen, Lin X. [Department; Chemical

    2017-09-05

    Biological functions frequently require protein-protein interactions that involve secondary and tertiary structural perturbation. Here we study protein-protein dissociation and reassociation dynamics in insulin, a model system for protein oligomerization. Insulin dimer dissociation into monomers was induced by a nanosecond temperature-jump (T-jump) of ~8 °C in aqueous solution, and the resulting protein and solvent dynamics were tracked by time-resolved X-ray solution scattering (TRXSS) on time scales of 10 ns to 100 ms. The protein scattering signals revealed the formation of five distinguishable transient species during the association process that deviate from simple two state kinetics. Our results show that the combination of T-jump pump coupled to TRXSS probe allows for direct tracking of structural dynamics in nonphotoactive proteins.

  11. Dynamic proton polarisation on polymers in solution: creating contrast in neutron scattering

    International Nuclear Information System (INIS)

    Grinten, M.G.D. van der

    1995-01-01

    Dynamic nuclear polarisation (DNP) as an alternative or additional method to create contrast in neutron small angle scattering has been investigated with emphasis on the study of polymers in solution. The need for high polarisations imposes specific requirements on the sample and its environment. Vitreous beads have been used as samples. Nuclear relaxation times show that they contain dissolved air. Parasitic scattering from the solvent is observed, probably arising from nanometer air bubbles. DNP is shown to be useful, in particular for samples that consist of mixtures of hydrogen-free and hydrogen-rich molecules, where the different molecules can be highlighted by changing the polarisation. ((orig.))

  12. Dynamic polarization by coulomb excitation in the closed formalism for heavy ion scattering

    International Nuclear Information System (INIS)

    Frahn, W.E.; Hill, T.F.

    1978-01-01

    We present a closed-form treatment of the effects of dynamic polarization by Coulomb excitation on the elastic scattering of deformed heavy ions. We assume that this interaction can be represented by an absorptive polarization potential. The relatively long range of this potential entails a relatively slow variation of the associated reflection function in l-space. This feature leads to a simple generalization of the closed formula derived previously for the elastic scattering amplitude of spherical heavy nuclei. We use both the polarization potential of Love et al. and the recent improved potential of Baltz et al. to derive explicit expressions for the associated reflection functions in a Coulomb-distorted eikonal approximation. As an example we analyze the elastic scattering of 90-MeV 18 O ions by 184 W and show that both results give a quantitative description of the data. (orig.) [de

  13. Proton dynamics in oxides: insight into the mechanics of proton conduction from quasielastic neutron scattering.

    Science.gov (United States)

    Karlsson, Maths

    2015-01-07

    This article is concerned with the use of quasielastic neutron scattering as a technique for investigation of the dynamical properties of proton conducting oxides. Currently, the main interest in these materials comes from their promise as electrolytes in future electrochemical devices and particularly through their use as electrolytes in next-generation, intermediate-temperature, fuel cells. However, the realization of such devices depends critically on the development of new, more highly proton conducting oxides. Such a development depends on increasing the current understanding of proton conduction in oxides and for this purpose quasielastic neutron scattering is an important mean. The aim of this article is to introduce the non-specialist reader to the basic principles of quasielastic neutron scattering, its advantages and disadvantages, to summarize the work that has been done on proton conducting oxides using this technique, as well as to discuss future opportunities within this field of research.

  14. Quasi-elastic neutron scattering studies of the slow dynamics of supercooled and glassy aspirin

    International Nuclear Information System (INIS)

    Zhang Yang; Mamontov, Eugene; Tyagi, Madhusudan; Chen, Sow-Hsin

    2012-01-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent β(Q) is independent of the wavevector transfer Q in the measured Q range and (ii) the structural relaxation time τ(Q) follows a power-law dependence on Q. Consequently, the Q-independent structural relaxation time τ 0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of τ 0 can be fitted with the mode-coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by Tokuyama in the measured temperature range. The calculated dynamic response function χ T (Q, t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement (x 2 ) and the non-Gaussian parameter α 2 extracted from the elastic scattering.

  15. Quasi-Elastic Neutron Scattering Studies of the Slow Dynamics of Supercooled and Glassy Aspirin

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yang [ORNL; Tyagi, M. [NCNR and University of Maryland; Mamontov, Eugene [ORNL; Chen, Sow-hsin H [ORNL

    2011-01-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 K down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent (Q) is independent of the wave vector transfer Q in the measured Q-range, and (ii) the structural relaxation time (Q) follows a power law dependence on Q. Consequently, the Q-independent structural relaxation time 0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of 0 can be fitted with the mode coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by M. Tokuyama in the measured temperature range. The calculated dynamic response function T(Q,t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows a direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement x2 and non-Gaussian parameter 2 extracted from the elastic scattering.

  16. Quasi-elastic neutron scattering studies of the slow dynamics of supercooled and glassy aspirin

    Science.gov (United States)

    Zhang, Yang; Tyagi, Madhusudan; Mamontov, Eugene; Chen, Sow-Hsin

    2012-02-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent β(Q) is independent of the wavevector transfer Q in the measured Q range and (ii) the structural relaxation time τ(Q) follows a power-law dependence on Q. Consequently, the Q-independent structural relaxation time τ0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of τ0 can be fitted with the mode-coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by Tokuyama in the measured temperature range. The calculated dynamic response function χT(Q, t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement langx2rang and the non-Gaussian parameter α2 extracted from the elastic scattering.

  17. He atom-surface scattering: Surface dynamics of insulators, overlayers and crystal growth

    International Nuclear Information System (INIS)

    Safron, S.A.; Skofronick, J.G.

    1994-01-01

    This progress report describes work carried out in the study of surface structure and dynamics of ionic insulators, the microscopic interactions controlling epitaxial growth and the formation of overlayers, and energy exchange in multiphonon surface scattering. The approach used is to employ high resolution helium atom scattering to study the geometry and structural features of the surfaces. Experiments have been carried out on the surface dynamics of RbCl and preliminary studies done on CoO and NiO. Epitaxial growth and overlayer dynamics experiments on the systems NaCl/NaCl(001), KBr/NaCl(001), NaCl/KBr(001) and KBr/RbCl(001) have been performed. They have collaborated with two theoretical groups to explore models of overlayer dynamics with which to compare and to interpret their experimental results. They have carried out extensive experiments on the multiphonon scattering of helium atoms from NaCl and, particularly, LiF. Work has begun on self-assembling organic films on gold and silver surfaces (alkyl thiols/Au(111) and Ag(111))

  18. Hydration-dependent dynamics of human telomeric oligonucleotides in the picosecond timescale: A neutron scattering study

    Energy Technology Data Exchange (ETDEWEB)

    Sebastiani, F.; Comez, L.; Sacchetti, F. [Dipartimento di Fisica e Geologia, Università degli Studi di Perugia, Via A. Pascoli, 06123 Perugia (Italy); CNR, Istituto Officina dei Materiali, Unità di Perugia, c/o Dipartimento di Fisica e Geologia, Università di Perugia, 06123 Perugia (Italy); Longo, M. [Dipartimento di Fisica e Geologia, Università degli Studi di Perugia, Via A. Pascoli, 06123 Perugia (Italy); Elettra—Sincrotrone Trieste, 34149 Basovizza, Trieste (Italy); Orecchini, A.; Petrillo, C.; Paciaroni, A., E-mail: alessandro.paciaroni@fisica.unipg.it [Dipartimento di Fisica e Geologia, Università degli Studi di Perugia, Via A. Pascoli, 06123 Perugia (Italy); De Francesco, A. [CNR-IOM OGG c/o Institut Laue-Langevin, 71 Avenue des Martyrs, CS20156, 38042 Grenoble Cedex 9 (France); Muthmann, M. [Jülich Centre for Neutron Science, Forschungszentrum Jülich GmbH, Outstation at Heinz Maier-Leibnitz Zentrum, Lichtenbergstrasse 1, 85747 Garching (Germany); Teixeira, S. C. M. [EPSAM, Keele University, Staffordshire ST5 5BG (United Kingdom); Institut Laue–Langevin, 71 Avenue des Martyrs, CS20156, 38042 Grenoble Cedex 9 (France)

    2015-07-07

    The dynamics of the human oligonucleotide AG{sub 3}(T{sub 2}AG{sub 3}){sub 3} has been investigated by incoherent neutron scattering in the sub-nanosecond timescale. A hydration-dependent dynamical activation of thermal fluctuations in weakly hydrated samples was found, similar to that of protein powders. The amplitudes of such thermal fluctuations were evaluated in two different exchanged wave-vector ranges, so as to single out the different contributions from intra- and inter-nucleotide dynamics. The activation energy was calculated from the temperature-dependent characteristic times of the corresponding dynamical processes. The trends of both amplitudes and activation energies support a picture where oligonucleotides possess a larger conformational flexibility than long DNA sequences. This additional flexibility, which likely results from a significant relative chain-end contribution to the average chain dynamics, could be related to the strong structural polymorphism of the investigated oligonucleotides.

  19. Ab initio simulations and neutron scattering studies of structure and dynamics in PdH

    International Nuclear Information System (INIS)

    Totolici, I.E.

    2001-07-01

    The work presented in this PhD thesis is concerned with the interpretation of the neutron scattering measurements from the palladium hydrogen system by means of ab initio electronic structure calculations. The motivation of performing such calculations was due to recent neutron scattering studies on this system that showed a strong directional dependence to the dynamical structure factor together with a complex dependence on energy. Here we attempt to describe the origin of these features by ab initio simulations of the dynamical structure factor. The method assumes an adiabatic separation of the motion of the proton and palladium atoms. The proton wave functions are calculated by a direct solution of the associated single-particle Schroedinger equation using a plane wave basis set method and a mapping of the adiabatic surface. The Fourier components of the adiabatic potential are obtained from LDA pseudopotential calculations. Using Fermi's golden rule within the Born approximation we were then able to calculate the dynamical structure factor, S(Q,ω), for exciting the proton from its ground state to various excited states as a function of the magnitude and direction of the scattering wave vector. The results are in agreement with the inelastic neutron scattering spectra and allow us to identify the origin of previous inexplicable features, in particular the strong directional dependence to the experimental data. The method was extended to investigate the expansion of the equilibrium lattice constant as a function of the H isotope when the zero-point energy of the proton/deuterium is explicitly taken into account in the relaxation process. The results we obtained predicted a bigger lattice constant for the hydride, as expected. Furthermore, other complex ab initio calculations were carried out in order to describe the origin of the large optic dispersion, seen previously in the coherent neutron scattering data. Our calculated dispersion proved to be in good

  20. Outward Migration of Giant Planets in Orbital Resonance

    Science.gov (United States)

    D'Angelo, G.; Marzari, F.

    2013-05-01

    A pair of giant planets interacting with a gaseous disk may be subject to convergent orbital migration and become locked into a mean motion resonance. If the orbits are close enough, the tidal gaps produced by the planets in the disk may overlap. This represents a necessary condition to activate the outward migration of the pair. However, a number of other conditions must also be realized in order for this mechanism to operate. We have studied how disk properties, such as turbulence viscosity, temperature, surface density gradient, mass, and age, may affect the outcome of the outward migration process. We have also investigated the implications on this mechanism of the planets' gas accretion. If the pair resembles Jupiter and Saturn, the 3:2 orbital resonance may drive them outward until they reach stalling radii for migration, which are within ~10 AU of the star for disks representative of the early proto-solar nebula. However, planet post-formation conditions in the disk indicate that such planets become typically locked in the 1:2 orbital resonance, which does not lead to outward migration. Planet growth via gas accretion tends to alter the planets' mass-ratio and/or the disk accretion rate toward the star, reducing or inhibiting outward migration. Support from NASA Outer Planets Research Program and NASA Origins of Solar Systems Program is gratefully acknowledged.

  1. To the theory of X-ray and electron dynamic scattering in defect-containing crystals

    International Nuclear Information System (INIS)

    Chukhovskij, F.N.

    1982-01-01

    The novel approach to the X-ray and electron dynamic scattering theory based on the dynamic equations ''in the dispersion surface representation'' is formulated. The formally exact solution of two-wave diffraction scattering problem is obtained using the scattering matrix, the obvious expression for which is found. The general formulae describing the plane wave diffraction scattering in absorbing crystals in the weak distortion range has been obtained. The formulae allows one to determine the total change sign of the displacement function Δα(x,y)=2πg vectorx(R vector (r vector) 1 -R vector(r vector) 2 ) on the base of the known sign of the mean deflection magnitude in a crystal as a whole from the exact Bragg position (g vector - the inverse lattice vector, R vector - the displacement field vector, t - the crystal thickness, R vector(r vector) 1 =R vector (r) ar z=t, R vector(r vector) 2 =R(r) at z=0). In the quasiclassical approximation the formation of the diffraction image of a dislocation positioned in such a way that the dislocation axis is parallel to the diffraction reflection vector is considered for the incident plane and spherical waves

  2. Dynamics of biopolymers on nanomaterials studied by quasielastic neutron scattering and MD simulations

    Science.gov (United States)

    Dhindsa, Gurpreet K.

    Neutron scattering has been proved to be a powerful tool to study the dynamics of biological systems under various conditions. This thesis intends to utilize neutron scattering techniques, combining with MD simulations, to develop fundamental understanding of several biologically interesting systems. Our systems include a drug delivery system containing Nanodiamonds with nucleic acid (RNA), and two specific model proteins, beta-Casein and Inorganic Pyrophosphatase (IPPase). RNA and nanodiamond (ND) both are suitable for drug-delivery applications in nano-biotechnology. The architecturally flexible RNA with catalytic functionality forms nanocomposites that can treat life-threatening diseases. The non-toxic ND has excellent mechanical and optical properties and functionalizable high surface area, and thus actively considered for biomedical applications. In this thesis, we utilized two tools, quasielastic neutron scattering (QENS) and Molecular Dynamics Simulations to probe the effect of ND on RNA dynamics. Our work provides fundamental understanding of how hydrated RNA motions are affected in the RNA-ND nanocomposites. From the experimental and Molecular Dynamics Simulation (MD), we found that hydrated RNA motion is faster on ND surface than a freestanding one. MD Simulation results showed that the failure of Stokes Einstein relation results the presence of dynamic heterogeneities in the biomacromolecules. Radial pair distribution function from MD Simulation confirmed that the hydrophilic nature of ND attracts more water than RNA results the de-confinement of RNA on ND. Therefore, RNA exhibits faster motion in the presence of ND than freestanding RNA. In the second project, we studied the dynamics of a natively disordered protein beta-Casein which lacks secondary structures. In this study, the temperature and hydration effects on the dynamics of beta-Casein are explored by Quasielastic Neutron Scattering (QENS). We investigated the mean square displacement (MSD) of

  3. Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Scattering of Molecules

    Science.gov (United States)

    Huang, Jiayu; Liu, Shu; Zhang, Dong H.; Krems, Roman V.

    2018-04-01

    Because the de Broglie wavelength of ultracold molecules is very large, the cross sections for collisions of molecules at ultracold temperatures are always computed by the time-independent quantum scattering approach. Here, we report the first accurate time-dependent wave packet dynamics calculation for reactive scattering of ultracold molecules. Wave packet dynamics calculations can be applied to molecular systems with more dimensions and provide real-time information on the process of bond rearrangement and/or energy exchange in molecular collisions. Our work thus makes possible the extension of rigorous quantum calculations of ultracold reaction properties to polyatomic molecules and adds a new powerful tool for the study of ultracold chemistry.

  4. Simultaneous measurement of amyloid fibril formation by dynamic light scattering and fluorescence reveals complex aggregation kinetics.

    Directory of Open Access Journals (Sweden)

    Aaron M Streets

    Full Text Available An apparatus that combines dynamic light scattering and Thioflavin T fluorescence detection is used to simultaneously probe fibril formation in polyglutamine peptides, the aggregating subunit associated with Huntington's disease, in vitro. Huntington's disease is a neurodegenerative disorder in a class of human pathologies that includes Alzheimer's and Parkinson's disease. These pathologies are all related by the propensity of their associated protein or polypeptide to form insoluble, β-sheet rich, amyloid fibrils. Despite the wide range of amino acid sequence in the aggregation prone polypeptides associated with these diseases, the resulting amyloids display strikingly similar physical structure, an observation which suggests a physical basis for amyloid fibril formation. Thioflavin T fluorescence reports β-sheet fibril content while dynamic light scattering measures particle size distributions. The combined techniques allow elucidation of complex aggregation kinetics and are used to reveal multiple stages of amyloid fibril formation.

  5. Hidden Fermi liquid, scattering rate saturation, and Nernst effect: a dynamical mean-field theory perspective.

    Science.gov (United States)

    Xu, Wenhu; Haule, Kristjan; Kotliar, Gabriel

    2013-07-19

    We investigate the transport properties of a correlated metal within dynamical mean-field theory. Canonical Fermi liquid behavior emerges only below a very low temperature scale T(FL). Surprisingly the quasiparticle scattering rate follows a quadratic temperature dependence up to much higher temperatures and crosses over to saturated behavior around a temperature scale T(sat). We identify these quasiparticles as constituents of the hidden Fermi liquid. The non-Fermi-liquid transport above T(FL), in particular the linear-in-T resistivity, is shown to be a result of a strongly temperature dependent band dispersion. We derive simple expressions for the resistivity, Hall angle, thermoelectric power and Nernst coefficient in terms of a temperature dependent renormalized band structure and the quasiparticle scattering rate. We discuss possible tests of the dynamical mean-field theory picture of transport using ac measurements.

  6. Comparison of particle size measurements of some aqueous suspensions by laser polarimetry and dynamic light scattering

    International Nuclear Information System (INIS)

    Chirikov, S N

    2016-01-01

    The results of the size distributions measurements of the particles of aqueous suspensions of ZnO, CuO, TiO 2 , and BaTiO 3 by methods of laser polarimetry and dynamic light scattering are considered. These measurements are compared with the results obtained by electron microscopy. It is shown that a laser polarimetry method gives more accurate results for size parameter values more than 1-2. (paper)

  7. Diffusing-wave spectroscopy in a standard dynamic light scattering setup

    Science.gov (United States)

    Fahimi, Zahra; Aangenendt, Frank J.; Voudouris, Panayiotis; Mattsson, Johan; Wyss, Hans M.

    2017-12-01

    Diffusing-wave spectroscopy (DWS) extends dynamic light scattering measurements to samples with strong multiple scattering. DWS treats the transport of photons through turbid samples as a diffusion process, thereby making it possible to extract the dynamics of scatterers from measured correlation functions. The analysis of DWS data requires knowledge of the path length distribution of photons traveling through the sample. While for flat sample cells this path length distribution can be readily calculated and expressed in analytical form; no such expression is available for cylindrical sample cells. DWS measurements have therefore typically relied on dedicated setups that use flat sample cells. Here we show how DWS measurements, in particular DWS-based microrheology measurements, can be performed in standard dynamic light scattering setups that use cylindrical sample cells. To do so we perform simple random-walk simulations that yield numerical predictions of the path length distribution as a function of both the transport mean free path and the detection angle. This information is used in experiments to extract the mean-square displacement of tracer particles in the material, as well as the corresponding frequency-dependent viscoelastic response. An important advantage of our approach is that by performing measurements at different detection angles, the average path length through the sample can be varied. For measurements performed on a single sample cell, this gives access to a wider range of length and time scales than obtained in a conventional DWS setup. Such angle-dependent measurements also offer an important consistency check, as for all detection angles the DWS analysis should yield the same tracer dynamics, even though the respective path length distributions are very different. We validate our approach by performing measurements both on aqueous suspensions of tracer particles and on solidlike gelatin samples, for which we find our DWS-based microrheology

  8. Rayleigh light scattering in fullerene covered by a spherical argon film - a molecular dynamics study

    CERN Document Server

    Dawid, A

    2003-01-01

    We have calculated (by a molecular dynamics method) the interaction-induced polarizability correlation functions and spectra of the depolarized light scattering from fullerene C sub 6 sub 0 molecules surrounded by an argon 'atmosphere' (layer). The calculated correlation functions and spectra of (C sub 6 sub 0)Ar sub n (n = 32, 40, 46) clusters show a substantial dependence on the number n of atoms in the layer.

  9. Quantum theory of dynamic multiple light scattering in fluctuating disordered media

    International Nuclear Information System (INIS)

    Skipetrov, S. E.

    2007-01-01

    We formulate a quantum theory of dynamic multiple light scattering in fluctuating disordered media and calculate the fluctuation and the autocorrelation function of the photon number operator for light transmitted through a disordered slab. The effect of disorder on the information capacity of a quantum communication channel operating in a disordered environment is estimated, and the use of squeezed light in diffusing-wave spectroscopy is discussed

  10. Hydration of the chloride ion in concentrated aqueous solutions using neutron scattering and molecular dynamics

    Czech Academy of Sciences Publication Activity Database

    Pluhařová, Eva; Fischer, H. E.; Mason, Philip E.; Jungwirth, Pavel

    2014-01-01

    Roč. 112, 9/10 (2014), s. 1230-1240 ISSN 0026-8976 R&D Projects: GA ČR GBP208/12/G016; GA MŠk LH12001 Grant - others:GA MŠk(CZ) LM2010005 Institutional support: RVO:61388963 Keywords : lithium * solution * molecular dynamics * chloride * neutron scattering Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.720, year: 2014

  11. PREFACE: Structure and dynamics determined by neutron and x-ray scattering Structure and dynamics determined by neutron and x-ray scattering

    Science.gov (United States)

    Müller-Buschbaum, Peter

    2011-06-01

    Neutron and x-ray scattering have emerged as powerful methods for the determination of structure and dynamics. Driven by emerging new, powerful neutron and synchrotron radiation sources, the continuous development of new instrumentation and novel scattering techniques gives rise to exciting possibilities. For example, in situ observations become possible via a high neutron or x-ray flux at the sample and, as a consequence, morphological transitions with small time constants can be detected. This special issue covers a broad range of different materials from soft to hard condensed matter. Hence, different material classes such as colloids, polymers, alloys, oxides and metals are addressed. The issue is dedicated to the 60th birthday of Professor Winfried Petry, scientific director of the Research Neutron Source Heinz Maier-Leibnitz (FRM-II), Germany, advisor at the physics department for the Bayerische Elite-Akademie, chair person of the Arbeitsgemeinschaft Metall- und Materialphysik of the German Physical Society (DPG) and a member of the professional council of the German Science Foundation (Deutsche Forschungsgemeinschaft, DFG). We would like to acknowledge and thank all contributors for their submissions, which made this special issue possible in the first place. Moreover, we would like to thank the staff at IOP Publishing for helping us with the administrative aspects and for coordinating the refereeing process, and Valeria Lauter for the beautiful cover artwork. Finally, to the readers, we hope that you find this special issue a valuable resource that provides insights into the present possibilities of neutron and x-ray scattering as powerful tools for the investigation of structure and dynamics. Structure and dynamics determined by neutron and x-ray scattering contents In situ studies of mass transport in liquid alloys by means of neutron radiography F Kargl, M Engelhardt, F Yang, H Weis, P Schmakat, B Schillinger, A Griesche and A Meyer Magnetic spin

  12. Heavy particle dynamics in liquid Se. Inelastic x-ray scattering

    International Nuclear Information System (INIS)

    Inui, Masanori; Hosokawa, Shinya; Matsuda, Kazuhiro; Tsutsui, Satoshi; Baron, A. Q. R.

    2007-01-01

    The dynamic structure factor of liquid Se was measured at 523 K using high-resolution inelastic X-ray scattering. Anomalous narrowing of the spectrum was observed at 15 nm -1 , where the static structure factor S(Q) exhibits a weak shoulder, but the elastic part of the dynamic structure factor S(Q, E=0) exhibited a strong maximum. The second frequency moment, which is estimated from only the quasielastic peak, is consistent with the motion of rigid six-atom clusters, while a formal agreement with the first-moment sum rule is preserved by the appearance of a weak intramolecular mode at 30 meV. (author)

  13. Microscopic dynamics of the hydrogen bonded systems studied by quasi-elastic slow neutron scattering

    International Nuclear Information System (INIS)

    Padureanu, I.; Aranghel, D.; Radulescu, A.; Ion, M.; Lechner, R. E.; Desmedt, A.; Pieper, J.

    2002-01-01

    The detailed understanding of the dynamical properties in highly viscous liquids such as glycerol, as well the supercooled and glassy state has attracted a great deal of attention. Glycerol is a hydrogen bonded forming system considered as intermediate between fragile and strong glasses with a glass transition temperature T g ∼ 185 K, melting temperature T m 290 K and a sound velocity V S ∼ 3330 m/s. Incoherent neutron scattering experiments from glasses generally show a broad feature with a maximum around 2 to 10 meV. This large contribution of such unusual low frequency excitations obeying the Bose-Einstein statistics to the density of states is referred to as 'boson peak' (BP) with a maximum near a frequency of 1 THz. A very much-debated question is the dramatic changes in the properties as well as the nature of the boson peak and the acoustic modes occurring in the neighborhood of this frequency. So far the experiments were not able to give a definite answer concerning the excitations giving rise to the boson peak. The inelastic X-ray scattering across the liquid glass transition in glycerol revealed propagating collective excitations in the whole liquid-glass transition temperature range. This conclusion challenges the present understanding of glasses and supercooled liquids particularly with their thermal properties. New experiments at lower temperatures than those investigated so far where the phonon scattering processes are less hard have been proposed. The relationship between the low frequency features, the microscopic structure, the nature of the forces and the atomic motions taking place at low frequencies is still an open question. According to the mode coupling theory (MCT) the glass transition is interpreted as a two-step process where the glass structure is softened by fast local motions (β - process) until some temperature T c >T g , where the structure breaks down leading to diffusion (α-process). It is an open question, whether MCT can

  14. The effect of pressure, isotopic (H/D) substitution, and other variables on miscibility in polymer-solvent systems. The nature of the demixing process; dynamic light scattering and small angle neutron scattering studies. Final report

    International Nuclear Information System (INIS)

    Van Hook, W.A.

    2000-01-01

    A research program examining the effects of pressure, isotope substitution and other variables on miscibility in polymer solvent systems is described. The techniques employed included phase equilibrium measurements and dynamic light scattering and small angle neutron scattering

  15. Line-shape theory and molecular dynamics in collision-induced light scattering

    International Nuclear Information System (INIS)

    Balucani, U.; Tognetti, V.; Vallauri, R.

    1979-01-01

    Molecular-dynamics studies in argon at 148 amagats are presented for gaining information on the dynamical properties responsible for the depolarized light scattering from simple fluids. The total and pair-correlation functions are computed within the simple dipole--induced-dipole model of polarizability anisotropy. The pair spectral shape is derived. These results are compared with a theoretical analysis based on a continued-fraction approach. The necessary frequency moments are calculated both in the low-density limit and taking into account first-order density corrections, and compared with the molecular-dynamics data. The agreement between the theoretical spectra and molecular-dynamics data shows the validity of the memory-function approach. The comparison with the real experimental results allows one to test the relevant physical contributions to the polarizability anisotropy

  16. Seeing real-space dynamics of liquid water through inelastic x-ray scattering.

    Science.gov (United States)

    Iwashita, Takuya; Wu, Bin; Chen, Wei-Ren; Tsutsui, Satoshi; Baron, Alfred Q R; Egami, Takeshi

    2017-12-01

    Water is ubiquitous on earth, but we know little about the real-space motion of molecules in liquid water. We demonstrate that high-resolution inelastic x-ray scattering measurement over a wide range of momentum and energy transfer makes it possible to probe real-space, real-time dynamics of water molecules through the so-called Van Hove function. Water molecules are found to be strongly correlated in space and time with coupling between the first and second nearest-neighbor molecules. The local dynamic correlation of molecules observed here is crucial to a fundamental understanding of the origin of the physical properties of water, including viscosity. The results also suggest that the quantum-mechanical nature of hydrogen bonds could influence its dynamics. The approach used here offers a powerful experimental method for investigating real-space dynamics of liquids.

  17. Characterization of Nanocellulose Using Small-Angle Neutron, X-ray, and Dynamic Light Scattering Techniques.

    Science.gov (United States)

    Mao, Yimin; Liu, Kai; Zhan, Chengbo; Geng, Lihong; Chu, Benjamin; Hsiao, Benjamin S

    2017-02-16

    Nanocellulose extracted from wood pulps using TEMPO (2,2,6,6-tetramethylpiperidine-1-oxyl radical)-mediated oxidation and sulfuric acid hydrolysis methods was characterized by small-angle neutron scattering (SANS), small-angle X-ray scattering (SAXS), and dynamic light scattering (DLS) techniques. The dimensions of this nanocellulose (TEMPO-oxidized cellulose nanofiber (TOCN) and sulfuric acid hydrolyzed cellulose nanocrystal (SACN)) revealed by the different scattering methods were compared with those characterized by transmission electron microscopy (TEM). The SANS and SAXS data were analyzed using a parallelepiped-based form factor. The width and thickness of the nanocellulose cross section were ∼8 and ∼2 nm for TOCN and ∼20 and ∼3 nm for SACN, respectively, where the fitting results from SANS and SAXS profiles were consistent with each other. DLS was carried out under both the V V mode with the polarizer and analyzer parallel to each other and the H V mode having them perpendicular to each other. Using rotational and translational diffusion coefficients obtained under the H V mode yielded a nanocellulose length qualitatively consistent with that observed by TEM, whereas the length derived by the translational diffusion coefficient under the V V mode appeared to be overestimated.

  18. Molecular aspects of adrenergic modulation of the transient outward current

    NARCIS (Netherlands)

    van der Heyden, Marcel A. G.; Wijnhoven, Tessa J. M.; Opthof, Tobias

    2006-01-01

    Transient outward channels have a different impact on action potential configuration in small mammals compared to large mammals. Small mammals depend primarily on Ito1 for repolarization, while in larger animals Ito1 only indirectly determines action potential duration by setting the level of the

  19. Academic Perspectives on the Outcomes of Outward Student Mobility

    Science.gov (United States)

    Bridger, Kath

    2015-01-01

    This research project was commissioned by the UK Higher Education International Unit (IU) and the Higher Education Academy (HEA) in June 2014 to explore academic perspectives on the outcomes of outward mobility at undergraduate, postgraduate and research levels for UK domiciled students, and to consider how best to facilitate the take up as well…

  20. He atom surface scattering: Surface dynamics of insulators, overlayers and crystal growth

    International Nuclear Information System (INIS)

    1992-01-01

    Investigations have focused primarily on surface structure and dynamics of ionic insulators, epitaxial growth onto alkali halide crystals and multiphoton studies. The surface dynamics of RbCl has been re-examined. We have developed a simple force constant model which provides insight into the dynamics of KBr overlayers on NaCl(001), a system with a large lattice mismatch. The KBr/NaCl(001) results are compared to Na/Cu(001) and NaCl/Ge(001). We have completed epitaxial growth experiments for KBr onto RbCl(001). Slab dynamics calculations using a shell model for this system with very small lattice mismatch are being carried out in collaboration with Professor Manson of Clemson University and with Professor Schroeder in Regensburg, Germany. Extensive experiments on multiphoton scattering of helium atoms onto NaCl and, particularly, LiF have been carried out and the theory has been developed to a rather advanced stage by Professor Manson. This work will permit the extraction of more information from time-of-flight spectra. It is shown that the theoretical model provides a very good description of the multiphoton scattering from organic films. Work has started on self-assembling organic films on gold (alkyl thiols/Au(111)). We have begun to prepare and characterize the gold crystal; one of the group members has spent two weeks at the Oak Ridge National Laboratory learning the proper Au(111) preparation techniques. One of our students has carried out neutron scattering experiments on NiO, measuring both bulk phonon and magnon dispersion curves

  1. The dynamics of water in hydrated white bread investigated using quasielastic neutron scattering

    International Nuclear Information System (INIS)

    Sjoestroem, J; Kargl, F; Fernandez-Alonso, F; Swenson, J

    2007-01-01

    The dynamics of water in fresh and in rehydrated white bread is studied using quasielastic neutron scattering (QENS). A diffusion constant for water in fresh bread, without temperature gradients and with the use of a non-destructive technique, is presented here for the first time. The self-diffusion constant for fresh bread is estimated to be D s = 3.8 x 10 -10 m 2 s -1 and the result agrees well with previous findings for similar systems. It is also suggested that water exhibits a faster dynamics than previously reported in the literature using equilibration of a hydration-level gradient monitored by vibrational spectroscopy. The temperature dependence of the dynamics of low hydration bread is also investigated for T = 280-350 K. The average relaxation time at constant momentum transfer (Q) shows an Arrhenius behavior in the temperature range investigated

  2. Small-angle neutron scattering and molecular dynamics structural study of gelling DNA nanostars

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Castanon, J.; Bomboi, F. [Sapienza–Università di Roma, P.le A. Moro 5, 00185 Roma (Italy); Rovigatti, L. [Rudolf Peierls C.T.P., University of Oxford, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Faculty of Physics, University of Vienna, Boltzmanngasse 5, A-1090 Vienna (Austria); Zanatta, M. [Dipartimento di Fisica, Università di Perugia, Via Pascoli, 06123 Perugia (Italy); CNR-ISC, UOS Sapienza–Università di Roma, I-00186 Roma (Italy); Paciaroni, A. [Dipartimento di Fisica, Università di Perugia, Via Pascoli, 06123 Perugia (Italy); Comez, L. [Dipartimento di Fisica, Università di Perugia, Via Pascoli, 06123 Perugia (Italy); IOM-CNR, UOS Perugia c/o Dipartimento di Fisica e Geologia, Università di Perugia, Via Pascoli, 06123 Perugia (Italy); Porcar, L. [Institut Laue-Langevin, 71 Avenue des Martyrs, CS 20156, 38042 Grenoble Cedex 9 (France); Jafta, C. J. [Helmholtz-Zentrum Berlin, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Fadda, G. C. [Laboratoire Léon Brillouin, LLB, CEA Saclay, 91191 Gif-sur-Yvette Cedex (France); Bellini, T. [Department of Medical Biotechnology and Translational Medicine, Università di Milano, I-20133 Milano (Italy); Sciortino, F., E-mail: francesco.sciortino@uniroma1.it [Sapienza–Università di Roma, P.le A. Moro 5, 00185 Roma (Italy); CNR-ISC, UOS Sapienza–Università di Roma, I-00186 Roma (Italy)

    2016-08-28

    DNA oligomers with properly designed sequences self-assemble into well defined constructs. Here, we exploit this methodology to produce bulk quantities of tetravalent DNA nanostars (each one composed of 196 nucleotides) and to explore the structural signatures of their aggregation process. We report small-angle neutron scattering experiments focused on the evaluation of both the form factor and the temperature evolution of the scattered intensity at a nanostar concentration where the system forms a tetravalent equilibrium gel. We also perform molecular dynamics simulations of one isolated tetramer to evaluate the form factor numerically, without resorting to any approximate shape. The numerical form factor is found to be in very good agreement with the experimental one. Simulations predict an essentially temperature-independent form factor, offering the possibility to extract the effective structure factor and its evolution during the equilibrium gelation.

  3. Molecular Dynamics and Neutron Scattering Studies of Mixed Solutions of Caffeine and Pyridine in Water.

    Science.gov (United States)

    Tavagnacco, Letizia; Mason, Philip E; Neilson, George W; Saboungi, Marie-Louise; Cesàro, Attilio; Brady, John W

    2018-05-31

    Insight into the molecular interactions of homotactic and heterotactic association of caffeine and pyridine in aqueous solution is given on the basis of both experimental and simulation studies. Caffeine is about 5 times more soluble in a 3 m aqueous pyridine solution than it is in pure water (an increase from ∼0.1 m to 0.5 m). At this elevated concentration the system becomes suitable for neutron scattering study. Caffeine-pyridine interactions were studied by neutron scattering and molecular dynamics simulations, allowing a detailed characterization of the spatial and orientational structure of the solution. It was found that while pyridine-caffeine interactions are not as strong as caffeine-caffeine interactions, the pyridine-caffeine interactions still significantly disrupted caffeine-caffeine stacking. The alteration of the caffeine-caffeine stacking, occasioned by the presence of pyridine molecules in solution and the consequent formation of heterotactic interactions, leads to the experimentally detected increase in caffeine solubility.

  4. Aspects of molecular dynamic of cyclohexanol studied by scattering of slow neutrons

    International Nuclear Information System (INIS)

    Walder, Vilma Sidneia

    1978-01-01

    Molecular dynamics of cyclohexanol in three crystalline phases and in the liquid state was investigated by cold neutron scattering in the temperature interval 100 to 300 K. The measurements were performed using a Beryllium Filter Time-of-Flight Spectrometer. The neutron inelastic scattering spectra and the frequency spectra fitted by a sum of Gaussians show evidences for events around 36-44. 62-79, 120-148, 216-250 and 384-509 c m -1 interpreted respectively as hundred rotation of molecules, lattice vibrations, H bond stretching vibration, out-of-line and in-plane ring bending modes. Quasi-elastic broadening were analysed in terms of modules for molecular diffusion. The behaviour of the self-diffusion coefficient with temperature was studied and the activation energies for diffusion in the liquid and solid states were determined. (author)

  5. Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations.

    Science.gov (United States)

    Qvist, Johan; Schober, Helmut; Halle, Bertil

    2011-04-14

    One of the outstanding challenges presented by liquid water is to understand how molecules can move on a picosecond time scale despite being incorporated in a three-dimensional network of relatively strong H-bonds. This challenge is exacerbated in the supercooled state, where the dramatic slowing down of structural dynamics is reminiscent of the, equally poorly understood, generic behavior of liquids near the glass transition temperature. By probing single-molecule dynamics on a wide range of time and length scales, quasielastic neutron scattering (QENS) can potentially reveal the mechanistic details of water's structural dynamics, but because of interpretational ambiguities this potential has not been fully realized. To resolve these issues, we present here an extensive set of high-quality QENS data from water in the range 253-293 K and a corresponding set of molecular dynamics (MD) simulations to facilitate and validate the interpretation. Using a model-free approach, we analyze the QENS data in terms of two motional components. Based on the dynamical clustering observed in MD trajectories, we identify these components with two distinct types of structural dynamics: picosecond local (L) structural fluctuations within dynamical basins and slower interbasin jumps (J). The Q-dependence of the dominant QENS component, associated with J dynamics, can be quantitatively rationalized with a continuous-time random walk (CTRW) model with an apparent jump length that depends on low-order moments of the jump length and waiting time distributions. Using a simple coarse-graining algorithm to quantitatively identify dynamical basins, we map the newtonian MD trajectory on a CTRW trajectory, from which the jump length and waiting time distributions are computed. The jump length distribution is gaussian and the rms jump length increases from 1.5 to 1.9 Å as the temperature increases from 253 to 293 K. The rms basin radius increases from 0.71 to 0.75 Å over the same range. The

  6. Atomic dynamics in fluids studied by inelastic x-ray scattering

    International Nuclear Information System (INIS)

    Inui, Masanori; Kajihara, Yukio; Matsuda, Kazuhiro; Ishikawa, Daisuke; Tsutsui, Satoshi; Baron, Alfred Q.

    2010-01-01

    Studies on atomic dynamics in supercritical fluids at high temperature and high pressure have remarkably been advanced by using an inelastic x-ray scattering technique that achieved a meV-energy resolution in the middle of 1990's. In this article, we describe a brief review of the theoretical background on liquid dynamics, our own high-temperature high-pressure technique and recent results of atomic dynamics in supercritical fluids. In particular, we report the results of inelastic x-ray scattering measurements for expanding fluid Hg at high temperature and high pressure, which were conduced at BL35XU/SPring-8. We found that in the metal-nonmetal transition in fluid Hg, the excitation energy of the acoustic mode disperses three times faster than the adiabatic sound velocity obtained by ultrasonic measurements. This phenomenon must be crucial to understand how a metallic state is formed during atomic condensation accurately. Finally we put a future development of this field in perspective. (author)

  7. Application of quasi-elastic neutron scattering to dynamics study of confined water

    International Nuclear Information System (INIS)

    Li Hua; Zhang Lili; Yi Zhou

    2014-01-01

    Background: Quasi-elastic neutron scattering (QENS) is an important experiment for dynamics study of confined water. It is significant to study the dynamics of confined water in cement paste. Purpose: In this paper, we have two aims. One is to present a reviewer of QENS study on dynamics of confined water in cement paste in recent years. The other is to illustrate the QENS application to the study on dynamics of confined water based on cement paste. Method: Relaxing cage model (RCM) is specially introduced for the analyses of QENS spectra. Results: Based on RCM, several parameters for describing the dynamics of confined water in cement paste, can be obtained from the analyses of QENS spectra: a fraction of mobile 'glassy' water molecules embedded in amorphous gel region surrounding the hydration products, 1-p, the capture time of confined water molecule in some place-τ 0 , the average translational relaxation time-<τ>, the self-diffusion coefficient-D, and a phenomenological shape parameter describing the uniform of amorphous in cement paste-β. Conclusion: All these provide a practical method for QENS study on dynamics of confined water in cement paste. (authors)

  8. Use of dynamic light scattering and small-angle X-ray scattering to characterize new surfactants in solution conditions for membrane-protein crystallization

    Science.gov (United States)

    Dahani, Mohamed; Barret, Laurie-Anne; Raynal, Simon; Jungas, Colette; Pernot, Pétra; Polidori, Ange; Bonneté, Françoise

    2015-01-01

    The structural and interactive properties of two novel hemifluorinated surfactants, F2H9-β-M and F4H5-β-M, the syntheses of which were based on the structure and hydrophobicity of the well known dodecyl-β-maltoside (DD-β-M), are described. The shape of their micellar assemblies was characterized by small-angle X-ray scattering and their intermicellar inter­actions in crystallizing conditions were measured by dynamic light scattering. Such information is essential for surfactant phase-diagram determination and membrane-protein crystallization. PMID:26144228

  9. DLSanalysis.org: a web interface for analysis of dynamic light scattering data.

    Science.gov (United States)

    Hansen, Steen

    2018-03-01

    A web interface ( www.DLSanalysis.org ) for indirect Laplace transformation of dynamic light scattering data is presented. When experimental data are uploaded to the server they are processed in a few seconds, and the result is displayed on the screen in the form of a size distribution together with the experimental data and the fit to the data. No other user input than the experimental data is necessary, but various options for the analysis may be selected. No local installation of software or registration is necessary. The result of the analysis can be downloaded.

  10. Interferometric scattering (iSCAT) microscopy: studies of biological membrane dynamics

    Science.gov (United States)

    Reina, Francesco; Galiani, Silvia; Shrestha, Dilip; Sezgin, Erdinc; Lagerholm, B. Christoffer; Cole, Daniel; Kukura, Philipp; Eggeling, Christian

    2018-02-01

    The study of the organization and dynamics of molecules in model and cellular membranes is an important topic in contemporary biophysics. Imaging and single particle tracking in this particular field, however, proves particularly demanding, as it requires simultaneously high spatio-temporal resolution and high signal-to-noise ratios. A remedy to this challenge might be Interferometric Scattering (iSCAT) microscopy, due to its fast sampling rates, label-free imaging capabilities and, most importantly, tuneable signal level output. Here we report our recent advances in the imaging and molecular tracking on phase-separated model membrane systems and live-cell membranes using this technique.

  11. Dynamical scaling and critical scattering in pure and disordered ferromagnets probed by NSE

    Energy Technology Data Exchange (ETDEWEB)

    Alba, M. [LLB, CEA-CNRS UMR12, CEA-Saclay, 91191 Gif/Yvette Cedex (France)]. E-mail: michel.alba@cea.fr; Pouget, S. [DRFMC/SPSMS, CEN-Grenoble, 17 rue des Martyrs, 38054 Grenoble (France); Fouquet, P. [ILL, 6 rue Jules Horowitz, 38042 Grenoble (France); Farago, B. [ILL, 6 rue Jules Horowitz, 38042 Grenoble (France); Pappas, C. [Hahn-Meitner Institut, Glienickerstr. 100, 14109 Berlin (Germany)

    2007-07-15

    We have studied the 3D Heisenberg ferromagnetic model system CdCr{sub 2} {sub x} In{sub 2-2} {sub x} S{sub 4} in the ferromagnetic and reentrant phases as a function of temperature and momentum transfer using neutron spin echo (NSE) spectroscopy. The results from the pure sample CdCr{sub 2}S{sub 4} are in excellent agreement with the predictions of the renormalization group theory. In the presence of disorder, we see the evolution from a simple critical ferromagnetic scattering with single fast relaxation times to a more complex slow dynamics characteristic of spin glasses.

  12. Dynamically induced spin-dependent interaction in the elastic scattering of heavy-ions

    International Nuclear Information System (INIS)

    Imanishi, B.; Oertzen, W. von.

    1982-02-01

    Dynamical polarization effect in heavy-ion elastic scattering is investigated in the framework of the coupled-reaction-channel theory. By using the adiabatic approximation at low incident energies, this effect is expressed as a spin-orbit (L vector.S vector) interaction with a L vector and S vector independent radial function. The strength of the (L vector.S vector) interaction calculated for the 12 C + 13 C system is in the same order of magnitude as deduced from experiments and is about two orders of magnitude larger than that obtained from the folding model calculation. (author)

  13. Dynamic scattering theory for dark-field electron holography of 3D strain fields.

    Science.gov (United States)

    Lubk, Axel; Javon, Elsa; Cherkashin, Nikolay; Reboh, Shay; Gatel, Christophe; Hÿtch, Martin

    2014-01-01

    Dark-field electron holography maps strain in crystal lattices into reconstructed phases over large fields of view. Here we investigate the details of the lattice strain-reconstructed phase relationship by applying dynamic scattering theory both analytically and numerically. We develop efficient analytic linear projection rules for 3D strain fields, facilitating a straight-forward calculation of reconstructed phases from 3D strained materials. They are used in the following to quantify the influence of various experimental parameters like strain magnitude, specimen thickness, excitation error and surface relaxation. © 2013 Elsevier B.V. All rights reserved.

  14. Food structure and dynamics - what are the opportunities for x-ray and neutron scattering?

    International Nuclear Information System (INIS)

    Gilbert, Elliot Paul

    2010-01-01

    In the latter part of the 20th century, it became evident that major advances in understanding could be achieved by gathering together scientists from unique, diverse but nonetheless complementary disciplines. To what extent can this be achieved in materials science, food science, food technology and nutrition? In Australia, we have developed a programme of research in which we seek to investigate fundamental and industrial problems of national significance in food science. This presentation will illustrate some of the opportunities now available through strategic alliances with materials scientists in the application of methods such as X-ray and neutron scattering to gain a critical understanding of food microstructure, nanostructure and dynamics

  15. Methyl group dynamics in a glass and its crystalline counterpart by neutron scattering

    CERN Document Server

    Moreno, A J; Colmenero, J; Frick, B

    2002-01-01

    Methyl group dynamics in the same sample of sodium acetate trihydrate in crystalline and glassy states have been investigated by neutron scattering. Measurements have been carried out in the whole temperature range covering the crossover from rotational tunneling to classical hopping. The results in the crystalline sample have been analyzed according to the usual single-particle model, while those in the glass were analyzed in terms of a broad Gaussian distribution of single-particle potentials, with a standard deviation of 205 K. The average barrier in the glass (417 K) takes, within the experimental error, the same value as the unique barrier in the crystal. (orig.)

  16. Fast-ion dynamics in the TEXTOR tokamak measured by collective Thomson scattering

    International Nuclear Information System (INIS)

    Bindslev, H; Nielsen, S K; Porte, L; Hoekzema, J A; Korsholm, S B; Meo, F; Michelsen, P K; Michelsen, S; Oosterbeek, J W; Tsakadze, E L; Westerhof, E; Woskov, P

    2007-01-01

    The dynamics of fast ion populations in the TEXTOR tokamak are measured by collective Thomson scattering of millimetre wave radiation generated by a gyrotron operated at 110 GHz and 100-150 kW. Temporal evolution of the energetic ion velocity distribution at switch on of neutral beam injection (NBI) and the slowdown after switch off of NBI are measured. The turn on phase of the NBI has, furthermore, been measured in plasmas with a range of electron densities and temperatures. All of these measurements are shown to be in good agreement with simple Fokker-Planck modelling. Bulk ion rotation velocity is also measured

  17. Molecular Rayleigh Scattering Diagnostic for Dynamic Temperature, Velocity, and Density Measurements

    Science.gov (United States)

    Mielke, Amy R.; Elam, Kristie A.; Sung, Chi-Jen

    2006-01-01

    A molecular Rayleigh scattering technique is developed to measure dynamic gas temperature, velocity, and density in unseeded turbulent flows at sampling rates up to 16 kHz. A high power CW laser beam is focused at a point in an air jet plume and Rayleigh scattered light is collected and spectrally resolved. The spectrum of the light, which contains information about the temperature and velocity of the flow, is analyzed using a Fabry-Perot interferometer. The circular interference fringe pattern is divided into four concentric regions and sampled at 1 and 16 kHz using photon counting electronics. Monitoring the relative change in intensity within each region allows for measurement of gas temperature and velocity. Independently monitoring the total scattered light intensity provides a measure of gas density. A low speed heated jet is used to validate the measurement of temperature fluctuations and an acoustically excited nozzle flow is studied to validate velocity fluctuation measurements. Power spectral density calculations of the property fluctuations, as well as mean and fluctuating quantities are presented. Temperature fluctuation results are compared with constant current anemometry measurements and velocity fluctuation results are compared with constant temperature anemometry measurements at the same locations.

  18. Equilibrium Limit of Boundary Scattering in Carbon Nanostructures: Molecular Dynamics Calculations of Thermal Transport

    Science.gov (United States)

    Haskins, Justin; Kinaci, Alper; Sevik, Cem; Cagin, Tahir

    2012-01-01

    It is widely known that graphene and many of its derivative nanostructures have exceedingly high reported thermal conductivities (up to 4000 W/mK at 300 K). Such attractive thermal properties beg the use of these structures in practical devices; however, to implement these materials while preserving transport quality, the influence of structure on thermal conductivity should be thoroughly understood. For graphene nanostructures, having average phonon mean free paths on the order of one micron, a primary concern is how size influences the potential for heat conduction. To investigate this, we employ a novel technique to evaluate the lattice thermal conductivity from the Green-Kubo relations and equilibrium molecular dynamics in systems where phonon-boundary scattering dominates heat flow. Specifically, the thermal conductivities of graphene nanoribbons and carbon nanotubes are calculated in sizes up to 3 microns, and the relative influence of boundary scattering on thermal transport is determined to be dominant at sizes less than 1 micron, after which the thermal transport largely depends on the quality of the nanostructure interface. The method is also extended to carbon nanostructures (fullerenes) where phonon confinement, as opposed to boundary scattering, dominates, and general trends related to the influence of curvature on thermal transport in these materials are discussed.

  19. Learning by outward FDI: Evidence from Chinese manufacturing enterprises

    Directory of Open Access Journals (Sweden)

    Yang Yaping

    2017-01-01

    Full Text Available Using firm-level data of Chinese manufacturing enterprises between 1998 and 2007, we investigate the existence and channels of “learning by outward FDI”. Difference-in-differences estimation reveals that productivity of Chinese parent firms is significantly improved by their outward foreign direct investment and the learning effects form a “V” shape in the following years. There is no significant difference in learning effects between state-owned enterprises and non-state-owned enterprises; neither do we find any evidence that investing in countries with advanced technology gives more learning effects. In addition, we find that learning effects mainly come from technology transfer, technology spillovers and an enlarged production scale.

  20. Spray Modeling for Outwardly-Opening Hollow-Cone Injector

    KAUST Repository

    Sim, Jaeheon

    2016-04-05

    The outwardly-opening piezoelectric injector is gaining popularity as a high efficient spray injector due to its precise control of the spray. However, few modeling studies have been reported on these promising injectors. Furthermore, traditional linear instability sheet atomization (LISA) model was originally developed for pressure swirl hollow-cone injectors with moderate spray angle and toroidal ligament breakups. Therefore, it is not appropriate for the outwardly-opening injectors having wide spray angles and string-like film structures. In this study, a new spray injection modeling was proposed for outwardly-opening hollow-cone injector. The injection velocities are computed from the given mass flow rate and injection pressure instead of ambiguous annular nozzle geometry. The modified Kelvin-Helmholtz and Rayleigh-Taylor (KH-RT) breakup model is used with adjusted initial Sauter mean diameter (SMD) for modeling breakup of string-like structure. Spray injection was modeled using a Lagrangian discrete parcel method within the framework of commercial CFD software CONVERGE, and the new model was implemented through the user-defined functions. A Siemens outwardly-opening hollow-cone spray injector was characterized and validated with existing experimental data at the injection pressure of 100 bar. It was found that the collision modeling becomes important in the current injector because of dense spray near nozzle. The injection distribution model showed insignificant effects on spray due to small initial droplets. It was demonstrated that the new model can predict the liquid penetration length and local SMD with improved accuracy for the injector under study.

  1. Oscillation thresholds for "striking outwards" reeds coupled to a resonator

    OpenAIRE

    Silva , Fabrice; Kergomard , Jean; Vergez , Christophe

    2007-01-01

    International audience; This paper considers a "striking outwards" reed coupled to a resonator. This expression, due to Helmholtz, is not discussed here : it corresponds to the most common model of a lip-type valve, when the valve is assumed to be a one degree of freedom oscillator. The presented work is an extension of the works done by Wilson and Beavers (1974), Tarnopolsky (2000). The range of the playing frequencies is investigated. The first results are analytical : when no losses are pr...

  2. Chinese outward foreign direct investment: Is ASEAN a new destination?

    OpenAIRE

    Nguyen, Thi Tuong Anh; Doan, Quang Hung

    2016-01-01

    The paper re-investigates the determinants of China’s outward foreign direct investment (OFDI) employing panel data analysis collecting between 2003 and 2014. The results highlight that the market-seeking variables as GDP, GDP Per Capita, and openness to trade have a positive impact on China’s OFDI. In addition, Chinese investors are likely to be not associated with economic growth of host countries. Importantly, the previous studies confirmed that only the rich natural resources and the weak...

  3. Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering

    Science.gov (United States)

    Martinek, Tomas; Duboué-Dijon, Elise; Timr, Štěpán; Mason, Philip E.; Baxová, Katarina; Fischer, Henry E.; Schmidt, Burkhard; Pluhařová, Eva; Jungwirth, Pavel

    2018-06-01

    We present a combination of force field and ab initio molecular dynamics simulations together with neutron scattering experiments with isotopic substitution that aim at characterizing ion hydration and pairing in aqueous calcium chloride and formate/acetate solutions. Benchmarking against neutron scattering data on concentrated solutions together with ion pairing free energy profiles from ab initio molecular dynamics allows us to develop an accurate calcium force field which accounts in a mean-field way for electronic polarization effects via charge rescaling. This refined calcium parameterization is directly usable for standard molecular dynamics simulations of processes involving this key biological signaling ion.

  4. Neutron scattering studies on protein dynamics using the human myelin peripheral membrane protein P2

    Directory of Open Access Journals (Sweden)

    Laulumaa Saara

    2015-01-01

    Full Text Available Myelin is a multilayered proteolipid membrane structure surrounding selected axons in the vertebrate nervous system, which allows the rapid saltatory conduction of nerve impulses. Deficits in myelin formation and maintenance may lead to chronic neurological disease. P2 is an abundant myelin protein from peripheral nerves, binding between two apposing lipid bilayers. We studied the dynamics of the human myelin protein P2 and its mutated P38G variant in hydrated powders using elastic incoherent neutron scattering. The local harmonic vibrations at low temperatures were very similar for both samples, but the mutant protein had increased flexibility and softness close to physiological temperatures. The results indicate that a drastic mutation of proline to glycine at a functional site can affect protein dynamics, and in the case of P2, they may explain functional differences between the two proteins.

  5. Impact of Raman scattering on pulse dynamics in a fiber laser with narrow gain bandwidth

    Science.gov (United States)

    Uthayakumar, T.; Alsaleh, M.; Igbonacho, J.; Tchomgo Felenou, E.; Tchofo Dinda, P.; Grelu, Ph; Porsezian, K.

    2018-06-01

    We examine theoretically the multi-pulse dynamics in a dispersion-managed fiber laser, in which the pulse’s spectral width is controlled by a pass-band filter. We show that in the domain of stable states with very narrow spectral width, i.e. which is one order of magnitude smaller than the bandwidth of the Raman gain of the intra-cavity fiber system, the Raman scattering (RS) significantly alters the multi-pulse dynamics. RS is found to have a greater impact in the immediate vicinity of some critical values of the pump power of the intra-cavity gain medium, where processes of pulse fragmentation occur. As a result, all the borders between the zones of stability of the multi-pulse states are altered, i.e. either shifted or suppressed.

  6. Neutron scattering studies on protein dynamics using the human myelin peripheral membrane protein P2

    Science.gov (United States)

    Laulumaa, Saara; Kursula, Petri; Natali, Francesca

    2015-01-01

    Myelin is a multilayered proteolipid membrane structure surrounding selected axons in the vertebrate nervous system, which allows the rapid saltatory conduction of nerve impulses. Deficits in myelin formation and maintenance may lead to chronic neurological disease. P2 is an abundant myelin protein from peripheral nerves, binding between two apposing lipid bilayers. We studied the dynamics of the human myelin protein P2 and its mutated P38G variant in hydrated powders using elastic incoherent neutron scattering. The local harmonic vibrations at low temperatures were very similar for both samples, but the mutant protein had increased flexibility and softness close to physiological temperatures. The results indicate that a drastic mutation of proline to glycine at a functional site can affect protein dynamics, and in the case of P2, they may explain functional differences between the two proteins.

  7. Dynamics in poly vinyl alcohol (PVA) based hydrogel: Neutron scattering study

    Energy Technology Data Exchange (ETDEWEB)

    Prabhudesai, S. A., E-mail: swapnil@barc.gov.in; Mitra, S.; Mukhopadhyay, R. [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 40085 (India); Lawrence, Mathias B. [Department of Physics, St. Xavier’s College, Mapusa, Goa 403507 (India); Desa, J. A. E. [Department of Physics, Goa University, Taleigao Plateau, Goa 403206 (India)

    2015-06-24

    Results of quasielastic neutron scattering measurements carried out on Poly Vinyl Alcohol (PVA) based hydrogels are reported here. PVA hydrogels are formed using Borax as a cross-linking agent in D{sub 2}O solvent. This synthetic polymer can be used for obtaining the hydrogels with potential use in the field of biomaterials. The aim of this paper is to study the dynamics of polymer chain in the hydrogel since it is known that polymer mobility influences the kinetics of loading and release of drugs. It is found that the dynamics of hydrogen atoms in the polymer chain could be described by a model where the diffusion of hydrogen atoms is limited within a spherical volume of radius 3.3 Å. Average diffusivity estimated from the behavior of quasielastic width is found to be 1.2 × 10{sup −5} cm{sup 2}/sec.

  8. Dynamic light scattering study of inhibition of nucleation and growth of hydroxyapatite crystals by osteopontin.

    Directory of Open Access Journals (Sweden)

    John R de Bruyn

    Full Text Available We study the effect of isoforms of osteopontin (OPN on the nucleation and growth of crystals from a supersaturated solution of calcium and phosphate ions. Dynamic light scattering is used to monitor the size of the precipitating particles and to provide information about their concentration. At the ion concentrations studied, immediate precipitation was observed in control experiments with no osteopontin in the solution, and the size of the precipitating particles increased steadily with time. The precipitate was identified as hydroxyapatite by X-ray diffraction. Addition of native osteopontin (nOPN extracted from rat bone caused a delay in the onset of precipitation and reduced the number of particles that formed, but the few particles that did form grew to a larger size than in the absence of the protein. Recombinant osteopontin (rOPN, which lacks phosphorylation, caused no delay in initial calcium phosphate precipitation but severely slowed crystal growth, suggesting that rOPN inhibits growth but not nucleation. rOPN treated with protein kinase CK2 to phosphorylate the molecule (p-rOPN produced an effect similar to that of nOPN, but at higher protein concentrations and to a lesser extent. These results suggest that phosphorylations are critical to OPN's ability to inhibit nucleation, whereas the growth of the hydroxyapatite crystals is effectively controlled by the highly acidic OPN polypeptide. This work also demonstrates that dynamic light scattering can be a powerful tool for delineating the mechanism of protein modulation of mineral formation.

  9. Dynamic Light Scattering Study of Inhibition of Nucleation and Growth of Hydroxyapatite Crystals by Osteopontin

    Science.gov (United States)

    de Bruyn, John R.; Goiko, Maria; Mozaffari, Maryam; Bator, Daniel; Dauphinee, Ron L.; Liao, Yinyin; Flemming, Roberta L.; Bramble, Michael S.; Hunter, Graeme K.; Goldberg, Harvey A.

    2013-01-01

    We study the effect of isoforms of osteopontin (OPN) on the nucleation and growth of crystals from a supersaturated solution of calcium and phosphate ions. Dynamic light scattering is used to monitor the size of the precipitating particles and to provide information about their concentration. At the ion concentrations studied, immediate precipitation was observed in control experiments with no osteopontin in the solution, and the size of the precipitating particles increased steadily with time. The precipitate was identified as hydroxyapatite by X-ray diffraction. Addition of native osteopontin (nOPN) extracted from rat bone caused a delay in the onset of precipitation and reduced the number of particles that formed, but the few particles that did form grew to a larger size than in the absence of the protein. Recombinant osteopontin (rOPN), which lacks phosphorylation, caused no delay in initial calcium phosphate precipitation but severely slowed crystal growth, suggesting that rOPN inhibits growth but not nucleation. rOPN treated with protein kinase CK2 to phosphorylate the molecule (p-rOPN) produced an effect similar to that of nOPN, but at higher protein concentrations and to a lesser extent. These results suggest that phosphorylations are critical to OPN’s ability to inhibit nucleation, whereas the growth of the hydroxyapatite crystals is effectively controlled by the highly acidic OPN polypeptide. This work also demonstrates that dynamic light scattering can be a powerful tool for delineating the mechanism of protein modulation of mineral formation. PMID:23457612

  10. The study of sheath flow dark zone phenomenon in dynamic individual cells scattering measurement

    Science.gov (United States)

    Zhang, Lu; Zhao, Hong; Wang, Xiaopin; Zhang, Weiguang

    2008-09-01

    Dynamic cells scattering is one of the most efficient approaches exploring in measurements of cells size, morphology and growth states. This technique can be widely applied in real-time detection for pharmaceutical industry, food industry, liquor industry and other biological fields. A novel method named dynamic individual cells scattering measurement is designed in this paper, which can make cells pass through quartz glass measurement zone one by one with sheath flow driving force. During the experiments, an obvious phenomenon has been found which is called sheath flow dark zone phenomenon (SFDZ). Under the influence of SFDZ, sheath flow forming detection becomes very difficult. In this paper, the causes giving rise to SFDZ have been analyzed. And an improved method is put forward, in which the orifice inside the measurement zone is set as an optical system. Then the illuminating system is redesigned. In this way, almost all the illuminating light can enter orifice so that the total reflection energy decreases substantially. A comparison experiments have been done, which proves the efficiency of this redesigned optical system and its sound effects on SFDZ avoiding.

  11. Dynamic scattering theory for dark-field electron holography of 3D strain fields

    International Nuclear Information System (INIS)

    Lubk, Axel; Javon, Elsa; Cherkashin, Nikolay; Reboh, Shay; Gatel, Christophe; Hÿtch, Martin

    2014-01-01

    Dark-field electron holography maps strain in crystal lattices into reconstructed phases over large fields of view. Here we investigate the details of the lattice strain–reconstructed phase relationship by applying dynamic scattering theory both analytically and numerically. We develop efficient analytic linear projection rules for 3D strain fields, facilitating a straight-forward calculation of reconstructed phases from 3D strained materials. They are used in the following to quantify the influence of various experimental parameters like strain magnitude, specimen thickness, excitation error and surface relaxation. - Author-Highlights: • We derive a simple dynamic scattering formalism for dark field electron holography based on a perturbative two-beam theory. • The formalism facilitates the projection of 3D strain fields by a simple weighting integral. • The weighted projection depends analytically on the diffraction order, the excitation error and the specimen thickness. • The weighting integral formalism represents an important prerequisite towards the development of tomographic strain reconstruction techniques

  12. Dynamics of Phenanthrenequinone on Carbon Nano-Onion Surfaces Probed by Quasielastic Neutron Scattering

    International Nuclear Information System (INIS)

    Mamontov, Eugene; Brown, Gilbert M.; Overbury, Steven H.; Mavila Chathoth, Suresh

    2012-01-01

    We used quasielastic neutron scattering (QENS) to study the dynamics of phenanthrenequinone (PQ) on the surface of onion-like carbon (OLC), or so called carbon onions, as a function of surface coverage and temperature. For both the high- and low-coverage samples, we observed two diffusion processes; a faster process and nearly an order of magnitude slower process. On the high-coverage surface, the slow diffusion process is of long-range translational character, whereas the fast diffusion process is spatially localized on the length scale of ∼ 4.7. On the low-coverage surface, both diffusion processes are spatially localized; on the same length scale of ∼ 4.7 for the fast diffusion and a somewhat larger length scale for the slow diffusion. Arrhenius temperature dependence is observed except for the long-range diffusion on the high-coverage surface. We attribute the fast diffusion process to the generic localized in-cage dynamics of PQ molecules, and the slow diffusion process to the long-range translational dynamics of PQ molecules, which, depending on the coverage, may be either spatially restricted, or long-range. On the low-coverage surface, uniform surface coverage is not attained, and the PQ molecules experience the effect of spatial constraints on their long-range translational dynamics. Unexpectedly, the dynamics of PQ molecules on OLC as a function of temperature and surface coverage bears qualitative resemblance to the dynamics of water molecules on oxide surfaces, including practically temperature-independent residence times for the low-coverage surface. The dynamics features that we observed may be universal across different classes of surface adsorbates.

  13. Topics in bound-state dynamical processes: semiclassical eigenvalues, reactive scattering kernels and gas-surface scattering models

    International Nuclear Information System (INIS)

    Adams, J.E.

    1979-05-01

    The difficulty of applying the WKB approximation to problems involving arbitrary potentials has been confronted. Recent work has produced a convenient expression for the potential correction term. However, this approach does not yield a unique correction term and hence cannot be used to construct the proper modification. An attempt is made to overcome the uniqueness difficulties by imposing a criterion which permits identification of the correct modification. Sections of this work are: semiclassical eigenvalues for potentials defined on a finite interval; reactive scattering exchange kernels; a unified model for elastic and inelastic scattering from a solid surface; and selective absorption on a solid surface

  14. Collective chain dynamics in lipid bilayers by inelastic x-ray scattering

    International Nuclear Information System (INIS)

    Weiss, T.M.; Chen, P.-J.; Sinn, H.; Alp, E.E.; Chen, S.-H.; Hwang, H.W.

    2003-01-01

    We investigated the application of inelastic x-ray scattering (IXS) to lipid bilayers. This technique directly measures the dynamic structure factor S(q,ω) which is the space-time Fourier transform of the electron density correlation function of the measured system. For a multiatomic system, the analysis of S(q,ω) is usually complicated. But for multiple bilayers of lipid, S(q,ω) is dominated by chain-chain correlations within individual bilayers. Thus IXS provides a unique probe for the collective dynamics of lipid chains in a bilayer that cannot be obtained by any other method. IXS of dimyristoyl phosphatidylcholine and dimyristoyl phosphatidylcholine + cholesterol at two different concentrations were measured. S(q,ω) was analyzed by three-mode hydrodynamic equations, including a thermal diffusive mode and two propagating acoustic modes. We obtained the dispersion curves for the phonons that represent the collective in-plane excitations of lipid chains. The effect of cholesterol on chain dynamics was detected. Our analysis shows the importance of having a high instrument resolution as well as the requirement of sufficient signal-to-noise ratio to obtain meaningful results from such an IXS experiment. The requirement on signal-to-noise also applies to molecular dynamics simulations.

  15. Dynamic. cap alpha. -transfer polarisation potentials and the large angle scattering of /sup 16/O + /sup 28/Si

    Energy Technology Data Exchange (ETDEWEB)

    Hussein, M S; Aleixo, A N; Canto, L F; Carrilho, P; Donangelo, R; Paula, L.S. de

    1987-07-01

    A closed expression is derived for the dynamic ..cap alpha..-transfer polarisation potential for heavy-ion elastic scattering. The back-angle angular distributions for the elastic scattering of /sup 16/O + /sup 28/Si obtained by adding this polarisation potential to the E-18 interaction are shown to be in good agreement with the data if an ..cap alpha..-transfer spectroscopic factor of 0.4 is used.

  16. He-atom surface scattering apparatus for studies of crystalline surface dynamics. Progress report, May 1, 1985-April 30, 1986

    International Nuclear Information System (INIS)

    1986-01-01

    The primary goal of this grant is the construction of a state-of-the-art He atom-crystal surface scattering apparatus which will be capable of measuring both elastic and inelastic scattering of He atoms from crystal surfaces of metals, semiconductors and insulators. First, the apparatus will be constructed and characterized, after which a program of studies on the surface dynamics of a variety of crystal surfaces will be started. 6 refs., 2 figs

  17. Molecular dynamics in conducting polyaniline protonated by camphor sulfonic acid as seen by quasielastic neutron scattering

    International Nuclear Information System (INIS)

    Djurado, D.; Combet, J.; Bee, M.; Rannou, P.; Dufour, B.; Pron, A.; Travers, J. P.

    2002-01-01

    Using incoherent quasielastic neutron scattering techniques, the molecular motions were investigated in fully hydrogenated and partially deuterated polyaniline protonated by camphor sulfonic acid (CSA) conducting samples. The obtained results show that on the 10 -9 -10 -12 s time scale the polymer chains do not exhibit any diffusive motions: the whole observed quasielastic scattering has accordingly to be attributed to motions of CSA ions. From our measurements two molecular movements could be differentiated. A rapid one has been attributed to the three-site rotation of methyl groups present on camphor moieties of CSA and a slower one that has been modeled as a rigid body motion of the whole CSA molecule. Due to the disordered character of the system, the methyl rotors appeared to be dynamically nonequivalent. Their dynamics was then described in terms of a log gaussian distribution of correlation times. This description allowed a good fitting of experimental data and gave an activation energy of 12.5 kJ mol-1. However, two different regimes in temperature could be distinguished. At high temperatures (T>280 K) the width of the distribution is nearly zero and thus, the methyl rotors are dynamically equivalent while it turned larger and larger when temperature is decreased below 250 K revealing that the rotors are more and more sensitive to their local environment. In the conducting samples the slowest motion clearly exists in the 280-330 K temperature range and is blocked at temperatures inferior to 250 K. This transition occurs in the temperature range in which the metal-insulator transition also happens

  18. Mode coupling theory analysis of electrolyte solutions: Time dependent diffusion, intermediate scattering function, and ion solvation dynamics.

    Science.gov (United States)

    Roy, Susmita; Yashonath, Subramanian; Bagchi, Biman

    2015-03-28

    A self-consistent mode coupling theory (MCT) with microscopic inputs of equilibrium pair correlation functions is developed to analyze electrolyte dynamics. We apply the theory to calculate concentration dependence of (i) time dependent ion diffusion, (ii) intermediate scattering function of the constituent ions, and (iii) ion solvation dynamics in electrolyte solution. Brownian dynamics with implicit water molecules and molecular dynamics method with explicit water are used to check the theoretical predictions. The time dependence of ionic self-diffusion coefficient and the corresponding intermediate scattering function evaluated from our MCT approach show quantitative agreement with early experimental and present Brownian dynamic simulation results. With increasing concentration, the dispersion of electrolyte friction is found to occur at increasingly higher frequency, due to the faster relaxation of the ion atmosphere. The wave number dependence of intermediate scattering function, F(k, t), exhibits markedly different relaxation dynamics at different length scales. At small wave numbers, we find the emergence of a step-like relaxation, indicating the presence of both fast and slow time scales in the system. Such behavior allows an intriguing analogy with temperature dependent relaxation dynamics of supercooled liquids. We find that solvation dynamics of a tagged ion exhibits a power law decay at long times-the decay can also be fitted to a stretched exponential form. The emergence of the power law in solvation dynamics has been tested by carrying out long Brownian dynamics simulations with varying ionic concentrations. The solvation time correlation and ion-ion intermediate scattering function indeed exhibit highly interesting, non-trivial dynamical behavior at intermediate to longer times that require further experimental and theoretical studies.

  19. He atom-surface scattering: Surface dynamics of insulators, overlayers and crystal growth

    International Nuclear Information System (INIS)

    1992-01-01

    Investigations in this laboratory have focused on the surface structure and dynamics of ionic insulators and on epitaxial growth onto alkali halide crystals. In the later the homoepitaxial growth of NaCl/NaCl(001) and the heteroepitaxial growth of KBr/NaCl(001), NaCl/KBr(001) and KBr/RbCl(001) have been studied by monitoring the specular He scattering as a function of the coverage and by measuring the angular and energy distributions of the scattered He atoms. These data provide information on the surface structure, defect densities, island sizes and surface strain during the layer-by-layer growth. The temperature dependence of these measurements also provides information on the mobilities of the admolecules. He atom scattering is unique among surface probes because the low-energy, inert atoms are sensitive only to the electronic structure of the topmost surface layer and are equally applicable to all crystalline materials. It is proposed for the next year to exploit further the variety of combinations possible with the alkali halides in order to carry out a definitive study of epitaxial growth in the ionic insulators. The work completed so far, including measurements of the Bragg diffraction and surface dispersion at various stages of growth, appears to be exceptionally rich in detail, which is particularly promising for theoretical modeling. In addition, because epitaxial growth conditions over a wide range of lattice mismatches is possible with these materials, size effects in growth processes can be explored in great depth. Further, as some of the alkali halides have the CsCl structure instead of the NaCl structure, we can investigate the effects of the heteroepitaxy with materials having different lattice preferences. Finally, by using co-deposition of different alkali halides, one can investigate the formation and stability of alloys and even alkali halide superlattices

  20. European Integration and Outward FDI from Central and Eastern Europe

    DEFF Research Database (Denmark)

    Jindra, B.; Hassan, S. S.; Gunther, J.

    2015-01-01

    countries (CEECs) within the EU 27 (1996-2010). We find that the EU integration process is related with increasing importance of market access and less emphasis on labour cost advantages. We find heterogeneity in the valuation of foreign knowledge-related assets. The location probability within the EU15......The European Union (EU) Member States in central and eastern Europe (CEE) witnessed a surge in outward foreign direct investment (OFDI) between 2000 and the start of the global financial crisis. This article investigates whether the European integration process altered the relative importance...

  1. Inward-outward linkages in the internationalization process of firms

    DEFF Research Database (Denmark)

    Choquette, Eliane

    , on the one hand, that firms with importing experience from a specific market prior to initiating exports to this market have a shorter export spell. This in line with the thesis that prior importing experience facilitates firms’ outward internationalization by reducing the sunk costs associated with export...... market entry and that export survival is negatively correlated with these sunk costs. Only importing experience within the same market affects (shortens) a firm’s export spell, which also is in line with the argument that a priori import experience reduces firms’ export market specific sunk costs...

  2. Relativistic two-and three-particle scattering equations using instant and light-front dynamics

    International Nuclear Information System (INIS)

    Adhikari, S.K.; Tomio, L.; Frederico, T.

    1992-01-01

    Starting from the Bethe-Salpeter equation for two particles in the ladder approximation and integrating over the time component of momentum we derive three dimensional scattering integral equations satisfying constraints of unitarity and relativity, both employing the light-front and instant-form variables. The equations we arrive at are those first derived by Weinberg and by Blankenbecler and Sugar, and are shown to be related by a transformation of variables. Hence we show how to perform and relate identical dynamical calculation using these two equations. We extends this procedure to the case of three particles interacting via two-particle separable potentials. Using light-front and instant form variables we suggest a couple of three dimensional three-particle scattering equations satisfying constraints of two and three-particle unitarity and relativity. The three-particle light-front equation is shown to be approximately related by a transformation of variables to one of the instant-form three-particle equations. (author)

  3. Protection against UV and X-ray cataracts using dynamic light scattering

    Science.gov (United States)

    Giblin, Frank J.

    2005-01-01

    Static and dynamic light scattering (SLS and DLS) analysis was used to investigate the aggregation of lens proteins in a hyperbaric oxygen (HBO)/guinea pig in vivo model for nuclear cataract. Nuclear cataract, an opacity which occurs in the center of the lens, is a major type of human maturity-onset cataract for which the cause is not well-understood. HBO is commonly used in major hospitals for treating complications such as poor wound healing due to impaired blood circulation. It is known that treatment of human patients with HBO for extended periods of time can produce nuclear cataract. Guinea pigs, initially 18 months old, were treated with HBO (2.5 atm of 100% O2 for 2.5 hr) 3x per week for 7 months to increase tie level of lens nuclear light scattering. Age-matched animals were used for controls. The eyes of the animals were analyzed in vivo using an integrated static and DLS fiber optic probe in collaboration with the NASA group. DLS in vivo was used to measure the size of lens proteins at 50 different locations across the optical axis of the guinea pig lens.

  4. Energy-weighted dynamical scattering simulations of electron diffraction modalities in the scanning electron microscope.

    Science.gov (United States)

    Pascal, Elena; Singh, Saransh; Callahan, Patrick G; Hourahine, Ben; Trager-Cowan, Carol; Graef, Marc De

    2018-04-01

    Transmission Kikuchi diffraction (TKD) has been gaining momentum as a high resolution alternative to electron back-scattered diffraction (EBSD), adding to the existing electron diffraction modalities in the scanning electron microscope (SEM). The image simulation of any of these measurement techniques requires an energy dependent diffraction model for which, in turn, knowledge of electron energies and diffraction distances distributions is required. We identify the sample-detector geometry and the effect of inelastic events on the diffracting electron beam as the important factors to be considered when predicting these distributions. However, tractable models taking into account inelastic scattering explicitly are lacking. In this study, we expand the Monte Carlo (MC) energy-weighting dynamical simulations models used for EBSD [1] and ECP [2] to the TKD case. We show that the foil thickness in TKD can be used as a means of energy filtering and compare band sharpness in the different modalities. The current model is shown to correctly predict TKD patterns and, through the dictionary indexing approach, to produce higher quality indexed TKD maps than conventional Hough transform approach, especially close to grain boundaries. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

  5. Portable dynamic light scattering instrument and method for the measurement of blood platelet suspensions

    International Nuclear Information System (INIS)

    Maurer-Spurej, Elisabeth; Brown, Keddie; Labrie, Audrey; Marziali, Andre; Glatter, Otto

    2006-01-01

    No routine test exists to determine the quality of blood platelet transfusions although every year millions of patients require platelet transfusions to survive cancer chemotherapy, surgery or trauma. A new, portable dynamic light scattering instrument is described that is suitable for the measurement of turbid solutions of large particles under temperature-controlled conditions. The challenges of small sample size, short light path through the sample and accurate temperature control have been solved with a specially designed temperature-controlled sample holder for small diameter, disposable capillaries. Efficient heating and cooling is achieved with Peltier elements in direct contact with the sample capillary. Focusing optical fibres are used for light delivery and collection of scattered light. The practical use of this new technique was shown by the reproducible measurement of latex microspheres and the temperature-induced morphological changes of human blood platelets. The measured parameters for platelet transfusions are platelet size, number of platelet-derived microparticles and the response of platelets to temperature changes. This three-dimensional analysis provides a high degree of confidence for the determination of platelet quality. The experimental data are compared to a matrix and facilitate automated, unbiased quality testing

  6. Dynamic light scattering in ophthalmology: results of in vitro and in vivo experiments.

    Science.gov (United States)

    Fankhauser, Franz

    2006-01-01

    To calibrate new dynamic light scattering (DLS) devices in defined solutions and post mortem porcine and human eyes. To examine all segments of the eye and to become familiar with the usage of the technique in living subjects. METHODS, DESIGN: Three new DLS devices for the usage in patients were developed. Mono-disperse solutions, poly-disperse solutions, gels, post mortem porcine and human eyes as well as healthy volunteers were studied. The detected signals were inverted into autocorrelation functions. We constructed three DLS devices appropriate for in vitro as well as in vivo examinations. In mono disperse solution precise disintegration rates could be calculated. In poly-disperse solutions, in gel and in the vitreous the results did not correlate with movements of individual particles but we could calculate characteristics of the complete scattering system. In vivo measurements demonstrated that DLS can be used in all human eye segments. DLS is a unique technique. With DLS the molecular composition of eye segments can be studied in living subjects. This can be used to understand the molecular basis of severe eye diseases. The presented data demonstrate that DLS delivers reproducible data from all eye segments. It is possible to study the molecular structures of eye segments in living subjects. The developed devices were proved successfully in vitro as well as in vivo. Limitations are the low specificity of DLS and its sensitivity to background noise. Now clinical studies are necessary to demonstrate potential diagnostic benefits of DLS in specific eye diseases.

  7. DNA-magnetic Particle Binding Analysis by Dynamic and Electrophoretic Light Scattering.

    Science.gov (United States)

    Haddad, Yazan; Dostalova, Simona; Kudr, Jiri; Zitka, Ondrej; Heger, Zbynek; Adam, Vojtech

    2017-11-09

    Isolation of DNA using magnetic particles is a field of high importance in biotechnology and molecular biology research. This protocol describes the evaluation of DNA-magnetic particles binding via dynamic light scattering (DLS) and electrophoretic light scattering (ELS). Analysis by DLS provides valuable information on the physicochemical properties of particles including particle size, polydispersity, and zeta potential. The latter describes the surface charge of the particle which plays major role in electrostatic binding of materials such as DNA. Here, a comparative analysis exploits three chemical modifications of nanoparticles and microparticles and their effects on DNA binding and elution. Chemical modifications by branched polyethylenimine, tetraethyl orthosilicate and (3-aminopropyl)triethoxysilane are investigated. Since DNA exhibits a negative charge, it is expected that zeta potential of particle surface will decrease upon binding of DNA. Forming of clusters should also affect particle size. In order to investigate the efficiency of these particles in isolation and elution of DNA, the particles are mixed with DNA in low pH (~6), high ionic strength and dehydration environment. Particles are washed on magnet and then DNA is eluted by Tris-HCl buffer (pH = 8). DNA copy number is estimated using quantitative polymerase chain reaction (PCR). Zeta potential, particle size, polydispersity and quantitative PCR data are evaluated and compared. DLS is an insightful and supporting method of analysis that adds a new perspective to the process of screening of particles for DNA isolation.

  8. Dynamic light scattering for the characterization and counting of extracellular vesicles: a powerful noninvasive tool

    Science.gov (United States)

    Palmieri, Valentina; Lucchetti, Donatella; Gatto, Ilaria; Maiorana, Alessandro; Marcantoni, Margherita; Maulucci, Giuseppe; Papi, Massimiliano; Pola, Roberto; De Spirito, Marco; Sgambato, Alessandro

    2014-09-01

    Extracellular vesicles (EVs) are cell-to-cell shuttles that have recently drawn interest both as drug delivery platforms and disease biomarkers. Despite the increasingly recognized relevance of these vesicles, their detection, and characterization still have several technical drawbacks. In this paper, we accurately assess the size distribution and concentration of EVs by using a high-throughput non-perturbative technique such as Dynamic Light Scattering (DLS). The vesicle radii distribution, as further confirmed by Atomic Force Microscopy experiments, ranges from 10 to 80 nm and appears very asymmetric towards larger radii with a main peak at roughly 30 nm. By combining DLS and Bradford assay, we also demonstrate the feasibility of recovering the concentration and its distribution of proteins contained inside vesicles. The sensitivity of our approach allows to detect protein concentrations as low as 0.01 mg/ml.

  9. The influence of four different anticoagulants on dynamic light scattering of platelets.

    Science.gov (United States)

    Raczat, T; Kraemer, L; Gall, C; Weiss, D R; Eckstein, R; Ringwald, J

    2014-08-01

    For testing of dynamic light scattering of platelets with ThromboLUX (TLX) in platelet-rich plasma (PRP) derived from venous whole blood (vWB), anticoagulation is needed. We compared TLX score in PRPs containing citrate, ethylene-diamine-tetraacetic-acid (EDTA), citrate-phosphate-dextrose-adenine (CPDA) or citrate-theophylline-adenosine-dipyridamole. Initial and late TLX scores were measured after 30-120 min or four to six hours, respectively. Compared with citrate, mean differences in initial TLX score were only significant for CPDA. Also, mean differences between initial and late TLX scores were only significant for CPDA. TLX failed to detect EDTA-induced platelet alterations. The clinical relevance of TLX needs further studies. © 2014 International Society of Blood Transfusion.

  10. Combined application of dynamic light scattering imaging and fluorescence intravital microscopy in vascular biology

    International Nuclear Information System (INIS)

    Kalchenko, V; Harmelin, A; Ziv, K; Addadi, Y; Madar-Balakirski, N; Neeman, M; Meglinski, I

    2010-01-01

    The dynamic light scattering imaging (DLSI) system combined with the conventional fluorescence intravital microscope (FIM) has been applied for the examination of blood and lymph vessels in the mouse ear in vivo. While the CCD camera can be shared by both techniques the combined application of DLSI and FIM allows rapid switching between the modalities. In current study temporal speckles fluctuations are used for rendering blood vessels structure and monitoring blood perfusion with the higher spatial resolution, whereas FIM provides the images of lymphatic vessels. The results clearly demonstrate that combined application of DLSI and FIM approaches provides synchronic in vivo images of blood and lymph vessels with higher contrast and specificity. The use of this new dual-modal diagnostic system is particularly important and has a great potential to significantly expand the capabilities of vascular diagnostics providing synchronic in vivo images of blood and lymph vessels

  11. Water dynamics as affected by interaction with biomolecules and change of thermodynamic state: a neutron scattering study

    International Nuclear Information System (INIS)

    Orecchini, A; Paciaroni, A; Petrillo, C; Sebastiani, F; Sacchetti, F; De Francesco, A

    2012-01-01

    The dynamics of water as subtly perturbed by both the interaction with biomolecules and the variation of temperature and pressure has been investigated via neutron scattering spectroscopy. A measurement of inelastic neutron scattering devoted to the study of the coherent THz dynamics of water in a water-rich mixture with DNA (hydration level of 1 g DNA/15 g D 2 O) at room temperature is reported. The DNA hydration water coherent dynamics is characterised by the presence of collective modes, whose dispersion relations are similar to those observed in bulk water. These dispersion relations are well described by the interaction model developed in the case of bulk water, and the existence of a fast sound is experimentally demonstrated. The behaviour of the collective water dynamics was complemented by studying the single-particle dynamics of bulk water along the isotherm T = 298 K in the pressure range 0.1-350 MPa by means of incoherent scattering. This experiment is an attempt to simulate the change of the water molecular arrangement due to the interaction with DNA, by increasing the pressure as the presence of the biomolecule produces an increase in the density. An anomaly is found in the behaviour of the relaxation time derived from the quasi-elastic scattering signal, which can be related to the hypothetical second critical point in water. This anomaly and the transition from slow to fast sound take place in the same Q range, thus suggesting that the two phenomena could be related at some microscopic level.

  12. Hollow-Cone Spray Modeling for Outwardly Opening Piezoelectric Injector

    KAUST Repository

    Sim, Jaeheon

    2016-01-04

    Linear instability sheet atomization (LISA) breakup model has been widely used for modeling hollow-cone spray. However, the model was originally developed for inwardlyopening pressure-swirl injectors by assuming toroidal ligament breakups. Therefore, LISA model is not suitable for simulating outwardly opening injectors having string-like structures at wide spray angles. Furthermore, the varying area and shape of the annular nozzle exit makes the modeling difficult. In this study, a new spray modeling was proposed for outwardly opening hollow-cone injector. The injection velocities are computed from the given mas flow rate and injection pressure regardless of ambiguous nozzle exit geometries. The modified Kelvin-Helmholtz and Rayleigh-Taylor (KH-RT) breakup model is used with adjusted initial Sauter mean diameter (SMD) for modeling breakup of string-like liquid film spray. Liquid spray injection was modeled using Lagrangian discrete parcel method within the framework of commercial CFD software CONVERGE, and the detailed model was implemented by user defined functions. It was found that the new model predicted the liquid penetration length and local SMD accurately for various fuels and chamber conditions.

  13. Ionization, photoelectron dynamics and elastic scattering in relativistic, ultra-strong field

    Science.gov (United States)

    Luo, Sui

    Ultrastrong laser-matter interaction has direct bearing to next generation technologies including plasma acceleration, laser fusion and attosecond X-ray generation. The commonly known physics in strong field becomes different as one progress to ultrastrong field. The works presented in this dissertation theoretically study the influence of relativistic effect and magnetic component of the laser field on the ionization, photoelectron dynamics and elastic scattering processes. The influence of magnetic component (B laser) of circularly polarized (CP) ultrastrong fields (up to3 x 1022 W/cm2) on atomic bound state dynamics is investigated. The Poincare plots are used to find the changes in trajectory energies are on the order of a few percent for intensities up to1 x 1022 W/cm2. It is found that at intensities where ionization approaches 50% for the bound state, the small changes from Blaser of the circular polarized light can actually result in a several-fold decrease in ionization probability. The force on the bound electron exerted by the Lorentz force from B laser is perpendicular to the rotating plane of the circular polarized light, and this nature makes those trajectories which are aligned away from the minimum in the potential barrier stabilized against tunneling ionization. Our results provide a classical understanding for ionization in ultrastrong fields and indicate that relativistic effects in ultrastrong field ionization may most easily be seen with CP fields. The photoelectron energy spectra from elastic rescattering in ultrastrong laser fields (up to 2x1019 W/cm2) is studied by using a relativistic adaption of a semi-classical three-step recollision model. The Hartree-Fock scattering potentials are used in calculating the elastic rescattering for both hydrogenlike and noble gas species. It is found that there is a reduction in elastic rescattering for intensities beyond 6 x 1016 W/cm2 when the laser Lorentz deflection of the photoelectron exceeds its

  14. Dynamics of water and ions in clays of type montmorillonite by microscopic simulation and quasi-elastic neutron scattering

    International Nuclear Information System (INIS)

    Malikova, N.

    2005-09-01

    Montmorillonite clays in low hydration states, with Na + and Cs + compensating counter ions, are investigated by a combination of microscopic simulation and quasi-elastic neutron scattering to obtain information on the local structure and dynamics of water and ions in the interlayer. At first predictions of simulation into the dynamics of water and ions at elevate temperatures are shown (0 deg C 80 deg C, pertinent for the radioactive waste disposal scenario) Marked difference is observed between the modes of diffusion of the Na + and C + counter ions. In water dynamics, a significant step towards bulk water behaviour is seen on transition from the mono- to bilayer states. Secondly, a detailed comparison between simulation and quasi-elastic neutron scattering (Neutron Spin Echo and Time-of-Flight) regarding ambient temperature water dynamics is presented. Overall, the approaches are found to be in good agreement with each other and limitations of each of the methods are clearly shown. (author)

  15. Classical confinement and outward convection of impurity ions in the MST RFP

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, S. T. A.; Den Hartog, D. J.; Mirnov, V. V.; Eilerman, S.; Nornberg, M.; Reusch, J. A.; Sarff, J. S. [Department of Physics, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Center for Magnetic Self-Organization in Laboratory and Astrophysical Plasmas, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Caspary, K. J.; Chapman, B. E.; Parke, E. [Department of Physics, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Magee, R. M. [Department of Physics, West Virginia University, Morgantown, WV 26506 (United States); Brower, D. L.; Ding, W. X.; Lin, L. [Department of Physics and Astronomy, University of California, Los Angeles, California 90095 (United States); Craig, D. [Physics Department, Wheaton College, Wheaton, Illinois 60187 (United States); Fiksel, G. [Center for Magnetic Self-Organization in Laboratory and Astrophysical Plasmas, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Laboratory for Laser Energetics, University of Rochester, Rochester, New York (United States)

    2012-05-15

    Impurity ion dynamics measured with simultaneously high spatial and temporal resolution reveal classical ion transport in the reversed-field pinch. The boron, carbon, oxygen, and aluminum impurity ion density profiles are obtained in the Madison Symmetric Torus [R. N. Dexter et al., Fusion Technol. 19, 131 (1991)] using a fast, active charge-exchange-recombination-spectroscopy diagnostic. Measurements are made during improved-confinement plasmas obtained using inductive control of tearing instability to mitigate stochastic transport. At the onset of the transition to improved confinement, the impurity ion density profile becomes hollow, with a slow decay in the core region concurrent with an increase in the outer region, implying an outward convection of impurities. Impurity transport from Coulomb collisions in the reversed-field pinch is classical for all collisionality regimes, and analysis shows that the observed hollow profile and outward convection can be explained by the classical temperature screening mechanism. The profile agrees well with classical expectations. Experiments performed with impurity pellet injection provide further evidence for classical impurity ion confinement.

  16. Improvement of Lambert-Beer law dynamic range by the use of temporal gates on transmitted light pulse through a scattering medium

    International Nuclear Information System (INIS)

    Yoshino, Hironori; Wada, Kenji; Horinaka, Hiromichi; Cho, Yoshio; Umeda, Tokuo; Osawa, Masahiko.

    1995-01-01

    The Lambert-Beer law holding for pulsed lights transmitted through a scattering medium was examined using a streak camera. The Lambert-Beer law dynamic range is found to be limited by floor levels that are caused by scattered photons and are controllable by the use of a temporal gate on the transmitted pulse. The dynamic range improvement obtained for a scattering medium of 2.8 cm -1 scattering coefficient of a thickness of 80 mm by a temporal gate of 60 ps was as much as 50 dB and the Lambert-Beer law dynamic rang reached to 140 dB. (author)

  17. Dynamic light scattering of nano-gels of xanthan gum biopolymer in colloidal dispersion

    Directory of Open Access Journals (Sweden)

    Abbas Rahdar

    2016-09-01

    Full Text Available The dynamical properties of nanogels of xanthan gum (XG with hydrodynamic radius controlled in a size range from 5 nm to 35 nm, were studied at the different XG concentrations in water/sodium bis-2-ethylhexyl-sulfosuccinate (AOT/decane reverse micelles (RMs vs. mass fraction of nano-droplet (MFD at W = 40, using dynamic light scattering (DLS. The diffusion study of nanometer-sized droplets by DLS technique indicated that enhancing concentration of the XG polysaccharide resulted in exchanging the attractive interaction between nano-gels to repulsive interaction, as the mass fraction of nano-droplets increased. The reorientation time (τr of water nanodroplets decreased with MFD for water-in-oil AOT micro-emulsion comprising high concentration (0.0000625 of XG. On the other hand, decreasing concentration of biopolymer led to increasing the rotational correlation time of water nanodroplets with MFD. In conclusion, a single relaxation curve was observed for AOT inverse microemulsions containing different XG concentrations. Furthermore, the interaction between nanogels was changed from attractive to repulsive versus concentration of XG in the AOT RMs.

  18. Trajectory approach to dissipative quantum phase space dynamics: Application to barrier scattering

    International Nuclear Information System (INIS)

    Hughes, Keith H.; Wyatt, Robert E.

    2004-01-01

    The Caldeira-Leggett master equation, expressed in Lindblad form, has been used in the numerical study of the effect of a thermal environment on the dynamics of the scattering of a wave packet from a repulsive Eckart barrier. The dynamics are studied in terms of phase space trajectories associated with the distribution function, W(q,p,t). The equations of motion for the trajectories include quantum terms that introduce nonlocality into the motion, which imply that an ensemble of correlated trajectories needs to be propagated. However, use of the derivative propagation method (DPM) allows each trajectory to be propagated individually. This is achieved by deriving equations of motion for the partial derivatives of W(q,p,t) that appear in the master equation. The effects of dissipation on the trajectories are studied and results are shown for the transmission probability. On short time scales, decoherence is demonstrated by a swelling of trajectories into momentum space. For a nondissipative system, a comparison is made of the DPM with the 'exact' transmission probability calculated from a fixed grid calculation

  19. Analysis of quasielastic neutron scattering (QENS) data of discotic systems using different molecular dynamics (MD) models

    International Nuclear Information System (INIS)

    Kruglova, O.; Mulder, F.M.; Picken, S.J.; Stride, J.; Kearley, G.J.

    2004-01-01

    Discotic molecules are composed of an aromatic core surrounded by aliphatic chains. These molecules are of importance because they can form columns in which the π orbitals of neighbouring molecules overlap leading to conductivity along the column. These materials find applications in molecular electronics and recently--with record quantum efficiencies--in photo voltaics. Because the correlation time of the electron (or hole) hopping is in the picosecond region, molecular dynamics on this timescale is of central importance. We have recently shown that these dynamics, which is easily measured by quasielastic neutron scattering (QENS), can be understood with a rather simple 'short single-column' model via an MD simulation that reproduces the measured QENS spectra. Before progressing to the larger technologically important systems we must understand any fortuitous error cancellations that may cause the simple model to reproduce the experimental signal so well. By taking a very simple discotic, hexamethyltriphenylene (HMT), we are able to compare QENS data with three types of models: simple column, cluster and periodic. It transpires that the cluster model cannot properly accommodate inter column interactions, and a fairly modest periodic model overcomes this problem and the tendency for un-physical harmonic modes along the column

  20. Life at extreme conditions: neutron scattering studies of biological molecules suggest that evolution selected dynamics

    International Nuclear Information System (INIS)

    Zaccai, Joseph Giuseppe

    2008-01-01

    The short review concentrates on recent work performed at the neutrons in biology laboratories of the Institut Laue Langevin and Institut de Biologie Structurale in Grenoble. Extremophile organisms have been discovered that require extreme conditions of temperature, pressure or solvent environment for survival. The existence of such organisms poses a significant challenge in understanding the physical chemistry of their proteins, in view of the great sensitivity of protein structure and stability to the aqueous environment and to external conditions in general. Results of neutron scattering measurements on the dynamics of proteins from extremophile organisms, in vitro as well as in vivo, indicated remarkably how adaptation to extreme conditions involves forces and fluctuation amplitudes that have been selected specifically, suggesting that evolutionary macromolecular selection proceeded via dynamics. The experiments were performed on a halophilic protein, and membrane adapted to high salt, a thermophilic enzyme adapted to high temperature and its mesophilic (adapted to 37 degC) homologue; and in vivo for psychrophilic, mesophilic, thermophilic and hyperthermophilic bacteria, adapted respectively to temperatures of 4 degC, 37 degC, 75 degC and 85 degC. Further work demonstrated the existence of a water component of exceptionally low mobility in an extreme halophile from the Dead Sea, which is not present in mesophile bacterial cells. (author)

  1. On the Effectiveness of the Dynamic Force Adjustment for Reducing the Scatter of Instrumented Charpy Results

    International Nuclear Information System (INIS)

    Lucon, E.

    2008-01-01

    One of the key factors for obtaining reliable instrumented Charpy results is the calibration of the instrumented striker. An interesting alternative to the conventional static calibration recommended by the standards is the Dynamic Force Adjustment (DFA), in which forces and displacements are iteratively adjusted until equality is achieved between absorbed energies calculated under the test record (Wt) and measured by the machine encoder (KV). In this study, this procedure has been applied to the instrumented data obtained by 10 international laboratories using notched and precracked Charpy specimens, in the framework of a Coordinated Research Project (CRP8) of IAEA. DFA is extremely effective in reducing the between-laboratory scatter for both general yield and maximum forces. The effect is less significant for dynamic reference temperatures measured from precracked Charpy specimens using the Master Curve procedure, but a moderate reduction of the standard deviation is anyway observed. It is shown that striker calibration is a prominent contribution to the interlaboratory variability of instrumented impact forces, particularly in the case of maximum forces.

  2. On the Effectiveness of the Dynamic Force Adjustment for Reducing the Scatter of Instrumented Charpy Results

    Energy Technology Data Exchange (ETDEWEB)

    Lucon, E.

    2008-09-15

    One of the key factors for obtaining reliable instrumented Charpy results is the calibration of the instrumented striker. An interesting alternative to the conventional static calibration recommended by the standards is the Dynamic Force Adjustment (DFA), in which forces and displacements are iteratively adjusted until equality is achieved between absorbed energies calculated under the test record (Wt) and measured by the machine encoder (KV). In this study, this procedure has been applied to the instrumented data obtained by 10 international laboratories using notched and precracked Charpy specimens, in the framework of a Coordinated Research Project (CRP8) of IAEA. DFA is extremely effective in reducing the between-laboratory scatter for both general yield and maximum forces. The effect is less significant for dynamic reference temperatures measured from precracked Charpy specimens using the Master Curve procedure, but a moderate reduction of the standard deviation is anyway observed. It is shown that striker calibration is a prominent contribution to the interlaboratory variability of instrumented impact forces, particularly in the case of maximum forces.

  3. Dynamics of a self-Q-switched fiber laser with a Rayleigh-stimulated Brillouin scattering ring mirror

    Science.gov (United States)

    Fotiadi, Andrei A.; Mégret, Patrice; Blondel, Michel

    2004-05-01

    Backward light scattering can cause passive Q switching in fiber lasers. We propose a self-consistent description of the laser dynamics. Our model quantitatively reproduces the temporal structure of pulsation and is also attractive for analysis of laser stability and statistics. The validity of the model is directly verified in an experiment.

  4. Aqueous Guanidinium-Carbonate Interactions by Molecular Dynamics and Neutron Scattering: Relevance to Ion-Protein Interactions

    Czech Academy of Sciences Publication Activity Database

    Vazdar, Mario; Jungwirth, Pavel; Mason, Philip E.

    2013-01-01

    Roč. 117, č. 6 (2013), s. 1844-1848 ISSN 1520-6106 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : guanidinium * neutron scattering * molecular dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.377, year: 2013

  5. Interaction-induced light scattering in a fullerene surrounded by an ultrathin argon 'atmosphere': Molecular dynamics simulation

    International Nuclear Information System (INIS)

    Dawid, A.; Gburski, Z.

    2003-01-01

    Using the molecular dynamics method, we have calculated the interaction-induced polarizability correlation functions and spectra of the depolarized light scattering in a C 60 fullerene molecule surrounded by an argon atmosphere. The liquid phase of (C 60 )Ar n (n=36, 40, 44) system has been studied

  6. Spin-wave dynamics in Invar Fe65Ni35 studied by small-angle polarized neutron scattering

    NARCIS (Netherlands)

    Brück, E.H.; Grigoriev, S.V.; Deriglazov, V.V.; Okorokov, A.I.; Dijk van, N.H.; Klaasse, J.C.P.

    2002-01-01

    Abstract. Spin dynamics in Fe65Ni35 Invar alloy has been studied by left-right asymmetry of small-angle polarized neutron scattering below TC=485 K in external magnetic fields of H=0.05-0.25 T inclined relative to the incident beam. The spin-wave stiffness D and the damping & were obtained by

  7. Segmental dynamics in polymer melts by relaxation techniques and quasielastic neutron scattering

    Science.gov (United States)

    Colmenero, J.

    1993-01-01

    The dynamics of the segmental α-relaxation in three different polymeric systems, poly(vinyl methy ether) (PVME), poly(vinyl chloride) (PVC) and poly(bisphenol A, 2-hydroxypropylether) (PH) has been studied by means of relaxation techniques and quasielastic neutron scattering (backscattering spectrometers IN10 and IN13 at the ILL-Grenoble). By using these techniques we have covered a wide timescale ranging from mesoscopic to macroscopic times (10-10-101s). For analyzing the experimental data we have developed a phenomenological procedure in the frequency domain based on the Havriliak-Negami relaxation function which in fact implies a Kohlrausch-Williams-Watts relaxation function in the time domain. The results obtained indicate that the dynamics of the α-relaxation in a wide timescale shows a clear non-Debye behaviour. The shape of the relaxation function is found to be similar for the different techniques used and independent of temperature and momentum transfer (Q). Moreover the characteristic relaxation times deduced from the fitting of the experimental data can also be described using only one Vogel-Fulcher functional form. Besides we found that the Q-dependence of the relaxation times obtained by QENS is given by a power law, τ(Q) propto Q-n (n > 2) n being dependent on the system, and that the Q-behaviour and the non-Debye behaviour are directly correlated. We discuss this correlation taking into account several data of the dynamics of the α-relaxation previously reported in the literature. We also outline a possible scenario for explaining this empirical correlation.

  8. Dynamical narrowing of the Rayleigh scattering ring from a semiconductor microcavity

    DEFF Research Database (Denmark)

    Langbein, W.; Hvam, Jørn Märcher

    2001-01-01

    In resonant secondary emission of light (SE), scattering by static disorder leads to coherent resonant Rayleigh scattering (RRS), while the scattering with other quasi-particles (e.g. phonons) leads to an incoherent emission called photoluminescence (PL). For a bare quantum well (QW) the SE does...

  9. Dynamics of globular molecules: moisture effect on the Rayleigh scattering spectrum of the Moessbauer radiation

    International Nuclear Information System (INIS)

    Chesskaya, T.Yu.

    1998-01-01

    The Rayleigh scattering spectrum of the Moessbauer radiation is plotted on the model simulating globular macromolecules. The modeling results are compared with experimental data on the spectra of the Rayleigh scattering of the Moessbauer radiation for various moisture content and hydratation dependence of the elastic scattering portion

  10. Denmark: Outward FDI from Denmark and Its Policy Context

    DEFF Research Database (Denmark)

    Gammeltoft, Peter

    2013-01-01

    Except for a peak in 2011 due to large one-off investments, Danish flows of outward foreign direct investment (OFDI) have been dampened since 2007 by the lingering European sovereign debt crisis, which continues to hamper the Danish economy. Over a longer time span however, the Danish corporate...... sector has developed a substantial international presence since the 1980s. Today, about half of the workforce in Danish manufacturing industries is employed abroad. Companies plan to expand their foreign operations further still, with 60% of companies with foreign operations planning to expand...... their production of goods and services abroad toward 2015. The Danish Government supports the internationalization of Danish companies, and recently more emphasis has been put on OFDI into the BRIC countries (Brazil, Russia, India, China) and other growth markets....

  11. Effect of Electric Field on Outwardly Propagating Spherical Flame

    KAUST Repository

    Mannaa, Ossama

    2012-06-01

    The thesis comprises effects of electric fields on a fundamental study of spheri­cal premixed flame propagation.Outwardly-propagating spherical laminar premixed flames have been investigated in a constant volume combustion vessel by applying au uni-directional electric potential.Direct photography and schlieren techniques have been adopted and captured images were analyzed through image processing. Unstretched laminar burning velocities under the influence of electric fields and their associated Markstein length scales have been determined from outwardly prop­agating spherical flame at a constant pressure. Methane and propane fuels have been tested to assess the effect of electric fields on the differential diffusion of the two fuels.The effects of varying equivalence ratios and applied voltages have been in­vestigated, while the frequency of AC was fixed at 1 KHz. Directional propagating characteristics were analyzed to identify the electric filed effect. The flame morphology varied appreciably under the influence of electric fields which in turn affected the burning rate of mixtures.The flame front was found to propagate much faster toward to the electrode at which the electric fields were supplied while the flame speeds in the other direction were minimally influenced. When the voltage was above 7 KV the combustion is markedly enhanced in the downward direction since intense turbulence is generated and as a result the mixing process or rather the heat and mass transfer within the flame front will be enhanced.The com­bustion pressure for the cases with electric fields increased rapidly during the initial stage of combustion and was relatively higher since the flame front was lengthened in the downward direction.

  12. Outward foreign direct investments and home country's economic growth

    Science.gov (United States)

    Ciesielska, Dorota; Kołtuniak, Marcin

    2017-09-01

    The study examines the time stability of the causality direction and cross-correlations between the home country's economic growth and pace of growth of its outward foreign direct investment (OFDI) stocks within the complex system of the Polish national economy. The research has been performed in order to verify, using both the time and frequency domains time series analyses, if economic agents' long term decisions on outward foreign direct investments, leading to cross-border value chains and production fragmentation processes, are of adaptive or predictive character. Consequently, the aim was to check if the home country's economic growth leads the internationalization processes of domestic enterprises, which stays in line with Dunning's Investment Development Path (IDP) paradigm, or if these complex processes, thanks to entrepreneurs' ability to formulate relevant rational expectations, precede the home country's economic growth, which would be supported with the introduction of the policy on reinforcing the internationalization processes of domestic enterprises. The presence of the unidirectional economic growth-led internationalization, consistent with the IDP concept's base assumptions, has been ascertained by the results of the short term Granger causality tests. Nevertheless, the results of the wavelet analyses, supported with the results of the econometric block exogeneity long term causality Wald tests, have revealed that in the long term the OFDI stocks' growth permanently precedes the home country's economic growth, which stays in the unequivocal contrast with the IDP paradigm's premises, as well as with the indicated above short term Granger causality tests' outcomes and indicates that economic agents' choices are not strictly of adaptive but also of predictive character, which influences the current state of knowledge on economic complex systems' characteristics. Such a result is of a great importance in the light of the existence of the significant

  13. Electron dynamics in the core-excited CS2 molecule revealed through resonant inelastic x-ray scattering spectroscopy

    International Nuclear Information System (INIS)

    Marchenko, T; Carniato, S; Journel, L; Guillemin, R; Kawerk, E; Simon, M; Žitnik, M; Kavčič, M; Bučar, K; Bohinc, R; Petric, M; Da Cruz, V Vaz; Gel'mukhanov, F

    2015-01-01

    We present an experimental and theoretical study of resonant inelastic x-ray scattering (RIXS) in the CS 2 molecule near the S 1s edge. We show that localization of the S 1s core-hole occurs in CS 2 during the RIXS process due to the orientational dephasing of interference between the waves scattering on the two sulfur atoms. Strong evolution of the RIXS profile with the excitation energy far below the first absorption resonance reflects the onset of electron dynamics triggered by a coherent excitation of multiple electronic states. (paper)

  14. Electron dynamics in the core-excited CS 2 molecule revealed through resonant inelastic x-ray scattering spectroscopy

    OpenAIRE

    Marchenko , T; Carniato , S; Journel , L; Guillemin , R; Kawerk , E; Žitnik , M; Kavčič , M; Bučar , K; Bohinc , R; Petric , M; da Cruz , V Vaz; Gel'mukhanov , F; Simon , Marielle

    2015-01-01

    International audience; We present an experimental and theoretical study of resonant inelastic x-ray scattering (RIXS) in the CS2 molecule near the S 1s edge. We show that localization of the S 1s core-hole occurs in CS2 during the RIXS process due to the orientational dephasing of interference between the waves scattering on the two sulfur atoms. Strong evolution of the RIXS profile with the excitation energy far below the first absorption resonance reflects the onset of electron dynamics tr...

  15. Spin-density correlations in the dynamic spin-fluctuation theory: Comparison with polarized neutron scattering experiments

    Energy Technology Data Exchange (ETDEWEB)

    Melnikov, N.B., E-mail: melnikov@cs.msu.su [Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Reser, B.I., E-mail: reser@imp.uran.ru [Miheev Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Paradezhenko, G.V., E-mail: gparadezhenko@cs.msu.su [Lomonosov Moscow State University, Moscow 119991 (Russian Federation)

    2016-08-01

    To study the spin-density correlations in the ferromagnetic metals above the Curie temperature, we relate the spin correlator and neutron scattering cross-section. In the dynamic spin-fluctuation theory, we obtain explicit expressions for the effective and local magnetic moments and spatial spin-density correlator. Our theoretical results are demonstrated by the example of bcc Fe. The effective and local moments are found in good agreement with results of polarized neutron scattering experiment over a wide temperature range. The calculated short-range order is small (up to 4 Å) and slowly decreases with temperature.

  16. Neutron Scattering of Residual Hydrogen in 1,4-Dioxane-D8 Liquid. Understanding Measurements with Molecular Dynamics Simulations

    Energy Technology Data Exchange (ETDEWEB)

    de Almeida, Valmor F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Liu, Hongjun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Herwig, Kenneth W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kidder, Michelle [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-01-25

    That incoherent scattering from protiated molecular liquids adds a constant background to the measured scattering intensity is well known, but less appreciated is the fact that coherent scattering is also induced by the presence of hydrogen in a deuterated liquid. In fact, the scattering intensity can be very sensitive, in the small-q region, with respect to the amounts and distribution of residual H in the system. We used 1,4-dioxane liquid to demonstrate that the partial structure factors of the HD and DD atom pairs contribute significantly to inter-molecular scattering and that uncertainty in the extent of deuteration account for discrepancies between simulations and measurements. Both contributions to uncertainty have similar magnitudes: scattering interference of the hydrogen-deuterium pair, and complementary interference from the deuterium-deuterium pair by virtue of chemical inhomogeneity. This situation arises in practice since deuteration of liquids is often 99% or less. A combined experimental and extensive computational study of static thermal neutron scattering of 1,4-dioxane demonstrates the foregoing. We show, through simulations, that the reason for the differences is the content of protiated dioxane (vendors quote 1%). We estimate that up to 5% (at 298K and at 343K) protiated mole fraction may be involved in generating the scattering differences. Finally, we find that the particular distribution of hydrogen in the protiated molecules affects the results significantly; here we considered molecules to be either fully protiated or fully deuterated. This scenario best reconciles the computational and experimental results, and leads us to speculate that the deuteration synthesis process tends to leave a molecule either fully deuterated or fully protiated. Although we have used 1,4-dioxane as a model liquid, the effects described in this study extend to similar liquids and similar systematic experimental/computational studies can be performed to either

  17. Neutron scattering. Lectures

    International Nuclear Information System (INIS)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner

    2012-01-01

    The following topics are dealt with: Neutron scattering in contemporary research, neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

  18. Dynamic manipulation of the subharmonic scattering of phospholipid-coated microbubbles

    Energy Technology Data Exchange (ETDEWEB)

    Faez, Telli; Renaud, Guillaume; De Jong, Nico [Biomedical Engineering Thoraxcenter, Erasmus Medical Center, PO Box 2040, 3000 CA Rotterdam (Netherlands); Defontaine, Marielle; Calle, Samuel, E-mail: t.faez@erasmusmc.nl [INSERM U930-CNRS ERL3106, Universite Francois Rabelais, UFR Medecine, 10 bd Tonnelle, 37000 Tours (France)

    2011-10-07

    In this paper, the influence of a dynamic variation in the ambient pressure on the subharmonic response of phospholipid-coated microbubbles was investigated. The ambient pressure in water was modulated by a 2.5 kHz acoustic wave with a peak amplitude of 15 kPa. We investigated the fundamental and subharmonic emissions at two driving frequencies: 5 and 10 MHz. The modulation of the bubble radius induced by the dynamic variation in the liquid ambient pressure subsequently causes modulations of the scattered acoustic pressure at the fundamental and subharmonic frequencies (half the fundamental frequency). As a first result, we measured that the variation in the ambient pressure of 15 kPa can modulate the subharmonic amplitude up to 10 dB as compared to the static atmospheric pressure condition. As a second result, we noticed that the relative subharmonic amplitude modulation as a function of the LF acoustic pressure was symmetrical for the 5 MHz driving frequency but asymmetric for 10 MHz. In the latter case, the subharmonic amplitude was more enhanced for an ambient overpressure than reduced for an ambient depression of the same amplitude likely due to the buckling of the lipid shell. However, the fundamental amplitude was symmetrically modulated during bubble compression and expansion. Moreover, subharmonic and fundamental amplitude modulations were found to be either in phase or out of phase with the low-frequency acoustic pressure. Numerical simulations showed that this behavior can be obtained depending on the bubbles' diameter. The highest subharmonic amplitude was measured when microbubbles were insonified at 10 MHz. This fact together with the asymmetry observed in the subharmonic modulation suggests that smaller bubbles with a buckling shell are excited at 10 MHz compared to 5 MHz. These results present new potentials for in vitro characterization of contrast agent microbubbles and possibly a new imaging modality.

  19. Stability and morphology of Ag nanoplatelets probed by depolarized dynamic light scattering

    Science.gov (United States)

    Zimbone, M.; Contino, A.; Maccarrone, G.; Musumeci, P.; Lo Faro, M. J.; Calcagno, L.

    2018-06-01

    The stability of silver nanoplatelet (NP) suspensions prepared with different concentrations of trisodium citrate (TSC) was studied by depolarized dynamic light scattering (DDLS) and UV–vis spectrometry. The morphology of the nanoparticles, as well as the color and stability of the sols, are tuned by the concentration of the capping agent. The nanoparticles prepared with high TSC concentration (>10‑4 M) are blue triangular NPs showing a slight truncation of the tips with aging. When low TSC concentrations are used, the color of the sols changes from blue to yellow with aging time and a strong modification of the morphology occurs: the nanoparticle shape changes from triangular to spherical. Remarkably, they show a high degree of anisotropy. The aging process was followed by the UV–vis spectra and by measuring the rotational diffusion coefficient by DDLS, providing information on the nanoparticle size and shape evolution. The high intensity of depolarized signal and the high value of rotational diffusion coefficient suggest that the aging process increases the thickness and the roughness of the nanoparticles

  20. Quantum-classical dynamics of scattering processes in adiabatic and diabatic representations

    International Nuclear Information System (INIS)

    Puzari, Panchanan; Sarkar, Biplab; Adhikari, Satrajit

    2004-01-01

    We demonstrate the workability of a TDDVR based [J. Chem. Phys. 118, 5302 (2003)], novel quantum-classical approach, for simulating scattering processes on a quasi-Jahn-Teller model [J. Chem. Phys. 105, 9141 (1996)] surface. The formulation introduces a set of DVR grid points defined by the Hermite part of the basis set in each dimension and allows the movement of grid points around the central trajectory. With enough trajectories (grid points), the method converges to the exact quantum formulation whereas with only one grid point, we recover the conventional molecular dynamics approach. The time-dependent Schroedinger equation and classical equations of motion are solved self-consistently and electronic transitions are allowed anywhere in the configuration space among any number of coupled states. Quantum-classical calculations are performed on diabatic surfaces (two and three) to reveal the effects of symmetry on inelastic and reactive state-to-state transition probabilities, along with calculations on an adiabatic surface with ordinary Born-Oppenheimer approximation. Excellent agreement between TDDVR and DVR results is obtained in both the representations

  1. Structure and Dynamics on Superionic Conducting Phosphate Glasses By Neutron Scattering

    International Nuclear Information System (INIS)

    Kartini, E.; Kennedy, S.J.; Itoh, K.; Arai, M.; Mezei, F.; Nakamura, M.

    2005-01-01

    Full text: A series of Neutron Diffraction and Inelastic scattering experiments have been performed on superionic conducting phosphate glasses, MX-MPO 3 (M=Ag; X=I,S) and AgI-Ag 2 S-AgPO 3 . These materials are used for solid state battery, due to high conductivity up to 10 -2 S.cm -1 at ambient temperature. The conductivity of the insulator glass AgPO 3 ∼ 10 -7 S.cm -1 . Interestingly, the structure factor S(Q) exhibits a prepeak at very low Q∼0.7 Aangstroem -1 related to the IRO ∼ 10-12 Aangstroem and the Radial Distribution Function gives an extra peak ∼ 2.8 Aangstroem -1 that corresponds to Ag-I correlation. The dynamic structure factor S(Q,ω), shows a Boson peak at low energy ∼ 2.5 meV that increases with composition and temperature. These behaviors seem to be universal for the AgI doped glasses, but the origin remains not well understood. Increasing mobility of the Ag ions, due to expansion of the phosphate network plays a dominant role on raising the ionic conductivity, prepeak and Boson peak. (authors)

  2. Combined Dynamic Light Scattering and Raman Spectroscopy Approach for Characterizing the Aggregation of Therapeutic Proteins

    Directory of Open Access Journals (Sweden)

    E. Neil Lewis

    2014-12-01

    Full Text Available Determination of the physicochemical properties of protein therapeutics and their aggregates is critical for developing formulations that enhance product efficacy, stability, safety and manufacturability. Analytical challenges are compounded for materials: (1 that are formulated at high concentration, (2 that are formulated with a variety of excipients, and (3 that are available only in small volumes. In this article, a new instrument is described that measures protein secondary and tertiary structure, as well as molecular size, over a range of concentrations and formulation conditions of low volume samples. Specifically, characterization of colloidal and conformational stability is obtained through a combination of two well-established analytical techniques: dynamic light scattering (DLS and Raman spectroscopy, respectively. As the data for these two analytical modalities are collected on the same sample at the same time, the technique enables direct correlation between them, in addition to the more straightforward benefit of minimizing sample usage by providing multiple analytical measurements on the same aliquot non-destructively. The ability to differentiate between unfolding and aggregation that the combination of these techniques provides enables insights into underlying protein aggregation mechanisms. The article will report on mechanistic insights for aggregation that have been obtained from the application of this technique to the characterization of lysozyme, which was evaluated as a function of concentration and pH.

  3. Structure of insoluble immune complexes as studied by spectroturbidimetry and dynamic light scattering

    Science.gov (United States)

    Khlebtsov, Boris N.; Burygin, Gennadii L.; Matora, Larisa Y.; Shchyogolev, Sergei Y.; Khlebtsov, Nikolai G.

    2004-07-01

    We describe two variants of a method for determining the average composition of insoluble immune complex particles (IICP). The first variant is based on measuring the specific turbidity (the turbidity per unit mass concentration of the dispersed substance) and the average size of IICP determined from dynamic light scattering (DLS). In the second variant, the wavelength exponent (i.e., the slope of the logarithmic turbidity spectrum) is used in combination with specific turbidity measurements. Both variants allow the average biopolymer volume fraction to be determined in terms of the average refractive index of IICP. The method is exemplified by two experimental antigen+antibody systems: (i) lipopolysaccharide-protein complex (LPPC) of Azospirillum brasilense Sp245+rabbit anti-LPPC; and (ii) human IgG (hIgG)+sheep anti-hIgG. Our measurements by the two methods for both types of systems gave, on the average, the same result: the volume fraction of the IICP biopolymers is about 30%; accordingly, the volume fraction of buffer solvent is 70%.

  4. Structural and dynamical properties of chlorinated hydrocarbons studied with resonant inelastic x-ray scattering

    Science.gov (United States)

    Bohinc, R.; Žitnik, M.; Bučar, K.; Kavčič, M.; Carniato, S.; Journel, L.; Guillemin, R.; Marchenko, T.; Kawerk, E.; Simon, M.; Cao, W.

    2016-04-01

    We present a theoretical and experimental study of resonant inelastic x-ray scattering on a large group of chlorinated hydrocarbons: CH3Cl, CH2Cl2, CHCl3, CCl4, CH3CH2Cl, ClCH2CH2Cl, CH3CHCl2, CH3CCl3, C2H2Cl2-iso, C2H2Cl2-cis, C2H2Cl2-trans, and C6H5Cl. Differences in structural and dynamical properties of the molecules generated by diverse chemical environments are observed in the measured Cl(Kα) spectral maps as well as in the Cl(K) total fluorescence yield spectra. The energy position, relative intensity, and the width of the Franck-Condon distribution of low-lying σ∗ and π∗ resonances are extracted by a fitting procedure taking into account the experimental broadening. The theoretical values obtained with the transition potential and Δ Kohn-Sham methods are in good agreement with the experimental parameters indicating subtle differences due to variations in the molecular structure.

  5. Spin dynamics and exchange interactions in CuO measured by neutron scattering

    Science.gov (United States)

    Jacobsen, H.; Gaw, S. M.; Princep, A. J.; Hamilton, E.; Tóth, S.; Ewings, R. A.; Enderle, M.; Wheeler, E. M. Hétroy; Prabhakaran, D.; Boothroyd, A. T.

    2018-04-01

    The magnetic properties of CuO encompass several contemporary themes in condensed-matter physics, including quantum magnetism, magnetic frustration, magnetically-induced ferroelectricity, and orbital currents. Here we report polarized and unpolarized neutron inelastic scattering measurements which provide a comprehensive map of the cooperative spin dynamics in the low-temperature antiferromagnetic (AFM) phase of CuO throughout much of the Brillouin zone. At high energies (E ≳100 meV ), the spectrum displays continuum features consistent with the des Cloizeax-Pearson dispersion for an ideal S =1/2 Heisenberg AFM chain. At lower energies, the spectrum becomes more three dimensional, and we find that a linear spin-wave model for a Heisenberg AFM provides a very good description of the data, allowing for an accurate determination of the relevant exchange constants in an effective spin Hamiltonian for CuO. In the high-temperature helicoidal phase, there are features in the measured low-energy spectrum that we could not reproduce with a spin-only model. We discuss how these might be associated with the magnetically-induced multiferroic behavior observed in this phase.

  6. Applications of the quasi-elastic light scattering to the study of dynamic properties of charged macro-molecules

    International Nuclear Information System (INIS)

    Gouesin-Menez, Renee

    1979-01-01

    The object of this research thesis is to study the modifications of dynamic properties of a macromolecule under the influence of variations of its medium, by using a frequency analysis of the spectrum of light scattered by a solution of particles. Thus, an important part of this thesis addresses the study and development of the scattering method and of its analysis by 'photon pulses', and the development and adjustment of an electrophoretic device to study light scattering by molecules submitted to an electric field. Then, hydrodynamic characteristics of some macromolecules have been measured with or without electric field. The studied molecular systems have been: calibrated spheres of latex polystyrene, a globular protein (bovine serum albumin), a polysaccharide (under the form of a rigid short stick), a flexible linear polyelectrolyte (polymethacrylate), and two DNA samples

  7. Role of thermal two-phonon scattering for impurity dynamics in a low-dimensional Bose-Einstein condensate

    Science.gov (United States)

    Lausch, Tobias; Widera, Artur; Fleischhauer, Michael

    2018-03-01

    We numerically study the relaxation dynamics of a single, heavy impurity atom interacting with a finite one- or two-dimensional, ultracold Bose gas. While there is a clear separation of time scales between processes resulting from single- and two-phonon scattering in three spatial dimensions, the thermalization in lower dimensions is dominated by two-phonon processes. This is due to infrared divergences in the corresponding scattering rates in the thermodynamic limit, which are a manifestation of the Mermin-Wagner-Hohenberg theorem. This makes it necessary to include second-order phonon scattering above a crossover temperature T2ph . T2ph scales inversely with the system size and is much smaller than currently experimentally accessible.

  8. Torques Induced by Scattered Pebble-flow in Protoplanetary Disks

    Science.gov (United States)

    Benítez-Llambay, Pablo; Pessah, Martin E.

    2018-03-01

    Fast inward migration of planetary cores is a common problem in the current planet formation paradigm. Even though dust is ubiquitous in protoplanetary disks, its dynamical role in the migration history of planetary embryos has not been assessed. In this Letter, we show that the scattered pebble-flow induced by a low-mass planetary embryo leads to an asymmetric dust-density distribution that is able to exert a net torque. By analyzing a large suite of multifluid hydrodynamical simulations addressing the interaction between the disk and a low-mass planet on a fixed circular orbit, and neglecting dust feedback onto the gas, we identify two different regimes, gas- and gravity-dominated, where the scattered pebble-flow results in almost all cases in positive torques. We collect our measurements in a first torque map for dusty disks, which will enable the incorporation of the effect of dust dynamics on migration into population synthesis models. Depending on the dust drift speed, the dust-to-gas mass ratio/distribution, and the embryo mass, the dust-induced torque has the potential to halt inward migration or even induce fast outward migration of planetary cores. We thus anticipate that dust-driven migration could play a dominant role during the formation history of planets. Because dust torques scale with disk metallicity, we propose that dust-driven outward migration may enhance the occurrence of distant giant planets in higher-metallicity systems.

  9. Outward knowledge transfer: the impact of project-based organization on performance

    OpenAIRE

    Ulrich Lichtenthaler

    2010-01-01

    Recently, interfirm knowledge transactions have increased although many firms experience major managerial difficulties in outward knowledge transfer, e.g. technology licensing. To reduce the traditional underemphasis on empirical research into corporate outward knowledge transfer, we use data from 152 firms to test four hypotheses relating firms' outward knowledge transfer performance to two types of project-based organization, which complement formal and informal organizational structures: p...

  10. Anomalous thermodynamic behaviour of novel compounds: inelastic neutron scattering and lattice dynamics studies

    International Nuclear Information System (INIS)

    Mittal, R.

    2014-01-01

    The understanding of the thermodynamic properties of solids has important applications in diverse areas like condensed matter physics, materials science, mineralogy, geophysics, etc. We have been extensively investigating anomalous thermodynamic properties of compounds using the techniques of inelastic neutron scattering and lattice dynamics. We would present some of the results from our recent studies. Studies of materials exhibiting anomalous thermal expansion are of interest due to their fundamental scientific importance and potential applications in ceramic, optical and electronic industry etc. We have studied the thermodynamic properties of negative thermal expansion (NTE) compounds ZrW 2 O 8 , HfW 2 O 8 , ZrMo 2 O 8 , ZrV 2 O 7 , HfV 2 O 7 , Zn(CN) 2 , Cu 2 O, Ag 2 O, Ag 3 Co(CN) 6 and Ag 3 Fe(CN) 6 . Our calculations predicted that large softening of the phonon spectrum involving librational and translational modes below 10 MeV would be responsible for anomalous thermal expansion behaviour. High pressure inelastic neutron scattering experiments carried by us on cubic ZrW 2 O 8 , ZrMo 2 O 8 and Zn(CN) 2 confirmed the phonon softening. Our studies indicate that unusual phonon softening of low energy modes is able to account for the thermal expansion behaviour in these compounds. Superionic conduction in fluorite-structured (anti-fluorite, Li 2 O) oxides (MO 2 , M= U, Th) have applications in energy storage, conversion and nuclear industry. The possible role of phonon in initiation of diffusion has been studied in Li 2 O. We found that in the superionic regime lithium atoms may exhibit macroscopic movement along (100) direction. The microscopic modeling or simulation is found to play a pivotal role in understanding the conduction processes at high temperatures in Li 2 O. We have also studied zircon structured compounds MSiO 4 (M=Zr, Hf, Th, U), RPO 4 , (R=rare earth atom). The compounds are known to transform to the scheelite (body centered tetragonal, I4 1 /a

  11. A study of lattice dynamics in iron-based superconductors by inelastic light scattering

    Energy Technology Data Exchange (ETDEWEB)

    Um, Youngje

    2013-12-13

    After the discovery of high temperature (high T{sub c}) superconductivity in copper oxide-based materials (cuprates) in 1986, this phenomenon was a unique property of the cuprates for more than 20 years. The origin of high T{sub c} superconductivity is still under debate. In 2008, high T{sub c} superconductivity was discovered in iron-based compounds. This discovery presents new opportunities for the development of a fundamental understanding of high T{sub c} superconductivity. Density functional calculations indicate a weak electron-phonon coupling strength in iron-based superconductors and these suggest that superconductivity is not mediated by phonons. However, experimental report of a large isotope effect of the iron atoms on the superconductivity T{sub c} suggests that phonons play an important role in iron-based superconductors. Motivated by these findings, this thesis presents a Raman scattering study of the lattice dynamics of the iron-based superconductors Fe{sub 1+y}Te{sub 1-x}Se{sub x}, LiFeAs and NaFe{sub 1-x}Co{sub x}As as a function of chemical composition and temperature. In Fe{sub 1+y}Te{sub 1-x}Se{sub x}, an unconventional linewidth broadening of the c-axis polarized Fe phonon of B{sub 1g} symmetry is found with decreasing temperature, which indicates an unusual coupling between the phonon and iron excessinduced magnetic fluctuations in this compound. In LiFeAs, the Raman scattering data provide evidence for a weak electron-phonon coupling, which is consistent with non-phonon mediated Cooper pairing in this compound. In NaFe{sub 1-x}Co{sub x}As, upon cooling two features are observed: (i) an unconventional linewidth broadening of several phonons, which is indicative of spin fluctuation-phonon coupling, and (ii) a superconductivity-induced phonon lineshape renormalization, which can not be explained by standard model calculations.

  12. Reorientational dynamics in molecular liquids as revealed by dynamic light scattering: from boiling point to glass transition temperature.

    Science.gov (United States)

    Schmidtke, B; Petzold, N; Kahlau, R; Rössler, E A

    2013-08-28

    We determine the reorientational correlation time τ of a series of molecular liquids by performing depolarized light scattering experiments (double monochromator, Fabry-Perot interferometry, and photon correlation spectroscopy). Correlation times in the range 10(-12) s-100 s are compiled, i.e., the full temperature interval between the boiling point and the glass transition temperature T(g) is covered. We focus on low-T(g) liquids for which the high-temperature limit τ ≅ 10(-12) s is easily accessed by standard spectroscopic equipment (up to 440 K). Regarding the temperature dependence three interpolation formulae of τ(T) with three parameters each are tested: (i) Vogel-Fulcher-Tammann equation, (ii) the approach recently discussed by Mauro et al. [Proc. Natl. Acad. Sci. U.S.A. 106, 19780 (2009)], and (iii) our approach decomposing the activation energy E(T) in a constant high temperature value E∞ and a "cooperative part" E(coop)(T) depending exponentially on temperature [Schmidtke et al., Phys. Rev. E 86, 041507 (2012)]. On the basis of the present data, approaches (i) and (ii) are insufficient as they do not provide the correct crossover to the high-temperature Arrhenius law clearly identified in the experimental data while approach (iii) reproduces the salient features of τ(T). It allows to discuss the temperature dependence of the liquid's dynamics in terms of a E(coop)(T)/E∞ vs. T/E∞ plot and suggests that E∞ controls the energy scale of the glass transition phenomenon.

  13. Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated [Co(terpy)2]2+

    DEFF Research Database (Denmark)

    Biasin, Elisa; Brandt van Driel, Tim; Kjær, Kasper Skov

    2016-01-01

    We study the structural dynamics of photoexcited [Co(terpy)2]2+ in an aqueous solution with ultrafast x-ray diffuse scattering experiments conducted at the Linac Coherent Light Source. Through direct comparisons with density functional theory calculations, our analysis shows that the photoexcitat......We study the structural dynamics of photoexcited [Co(terpy)2]2+ in an aqueous solution with ultrafast x-ray diffuse scattering experiments conducted at the Linac Coherent Light Source. Through direct comparisons with density functional theory calculations, our analysis shows...... find that the equilibrium bond-elongated structure of the high spin state is established on a single-picosecond time scale and that this state has a lifetime of ∼7 ps....

  14. [Application possibilities of dynamic laser light scattering photometry for the examination of poly(ethylene glycol) suppositories].

    Science.gov (United States)

    Bácskay, I; Kéki, S; Deák, G; Zsuga, M; Mezey, G

    2001-08-01

    Status epilepticus is one of the most common neurologic emergencies in children, adolescents, and young adults. The advantage of diazepam suppository in medicinal therapy appears mainly in treatment of childhood epilepsy. A hydrophilic suppository base was investigated in solution by dynamic light scattering and results were compared to those of the membrane diffusion experiments measuring diazepam solubilization. According to the dynamic laser light scattering photometric measurements, the good solubilization effect of the macrogol mixture (5% Polysorbatum 20, 10% Macrogolum 400, 85% Macrogolum 1540) is explained by the formation of small, tight micellas. As the Polysorbatum 20 tenside resulted in the significant decrease (p < 0.05) of the formation of great micellas, its use led to the formation of small, tight, almost monodisperse micellas of 40-50 nm in the aqueous solution of the macrogol mixture.

  15. Electron scattering from gas phase cis-diamminedichloroplatinum(II): Quantum analysis of resonance dynamics

    Science.gov (United States)

    Carey, Ralph; Lucchese, Robert R.; Gianturco, F. A.

    2013-05-01

    We present scattering calculations of electron collisions with the platinum-containing compound cis-diamminedichloroplatinum (CDDP), commonly known as cisplatin, between 0.5 eV and 6 eV, and the corresponding isolated Pt atom from 0.1 eV to 10 eV. We find evidence of resonances in e--CDDP scattering, using an ab initio description of the target. We computed scattering matrix elements from equations incorporating exchange and polarization effects through the use of the static-exchange plus density functional correlation potential. Additionally, we made use of a purely local adiabatic model potential that allows Siegert eigenstates to be calculated, thereby allowing inspection of the possible resonant scattering wave functions. The total cross section for electron scattering from (5d10) 1S Pt displays a large magnitude, monotonic decay from the initial collision energies, with no apparent resonance scattering features in any scattering symmetry. By contrast, the e--CDDP scattering cross section shows a small feature near 3.8 eV, which results from a narrow, well localized resonance of b2 symmetry. These findings are then related to the possible electron-mediated mechanism of the action of CDDP on DNA replication as suggested by recent experiments.

  16. Exploring Ion-Ion Interactions in Aqueous Solutions by a Combination of Molecular Dynamics and Neutron Scattering

    Czech Academy of Sciences Publication Activity Database

    Kohagen, Miriam; Pluhařová, E.; Mason, Philip E.; Jungwirth, Pavel

    2015-01-01

    Roč. 6, č. 9 (2015), s. 1563-1567 ISSN 1948-7185 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : ion pairing * molecular dynamics * neutron scattering Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 8.539, year: 2015 http://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.5b00060

  17. Multiple scattering of MeV ions: Comparison between the analytical theory and Monte-Carlo and molecular dynamics simulations

    International Nuclear Information System (INIS)

    Mayer, M.; Arstila, K.; Nordlund, K.; Edelmann, E.; Keinonen, J.

    2006-01-01

    Angular and energy distributions due to multiple small angle scattering were calculated with different models, namely from the analytical Szilagyi theory, the Monte-Carlo code MCERD in binary collision approximation and the molecular dynamics code MDRANGE, for 2 MeV 4 He in Au at backscattering geometry and for 20 MeV 127 I recoil analysis of carbon. The widths and detailed shapes of the distributions are compared, and reasons for deviations between the different models are discussed

  18. Time resolved resonant inelastic X-ray scattering: A supreme tool to understand dynamics in solids and molecules

    International Nuclear Information System (INIS)

    Beye, M.; Wernet, Ph.; Schüßler-Langeheine, C.; Föhlisch, A.

    2013-01-01

    Highlights: •The high specificity of RIXS ideally suits time-resolved measurements. •Methods relating to the core hole lifetime cover the low femtosecond regime. •Pump-probe methods are used starting at sub-ps time scales. •FELs and synchrotrons are useful for pump-probe studies. •Examples from solid state dynamics and molecules are discussed. -- Abstract: Dynamics in materials typically involve different degrees of freedom, like charge, lattice, orbital and spin in a complex interplay. Time-resolved resonant inelastic X-ray scattering (RIXS) as a highly selective tool can provide unique insight and follow the details of dynamical processes while resolving symmetries, chemical and charge states, momenta, spin configurations, etc. In this paper, we review examples where the intrinsic scattering duration time is used to study femtosecond phenomena. Free-electron lasers access timescales starting in the sub-ps range through pump-probe methods and synchrotrons study the time scales longer than tens of ps. In these examples, time-resolved resonant inelastic X-ray scattering is applied to solids as well as molecular systems

  19. Dynamical Behavior of Human α-Synuclein Studied by Quasielastic Neutron Scattering.

    Directory of Open Access Journals (Sweden)

    Satoru Fujiwara

    Full Text Available α-synuclein (αSyn is a protein consisting of 140 amino acid residues and is abundant in the presynaptic nerve terminals in the brain. Although its precise function is unknown, the filamentous aggregates (amyloid fibrils of αSyn have been shown to be involved in the pathogenesis of Parkinson's disease, which is a progressive neurodegenerative disorder. To understand the pathogenesis mechanism of this disease, the mechanism of the amyloid fibril formation of αSyn must be elucidated. Purified αSyn from bacterial expression is monomeric but intrinsically disordered in solution and forms amyloid fibrils under various conditions. As a first step toward elucidating the mechanism of the fibril formation of αSyn, we investigated dynamical behavior of the purified αSyn in the monomeric state and the fibril state using quasielastic neutron scattering (QENS. We prepared the solution sample of 9.5 mg/ml purified αSyn, and that of 46 mg/ml αSyn in the fibril state, both at pD 7.4 in D2O. The QENS experiments on these samples were performed using the near-backscattering spectrometer, BL02 (DNA, at the Materials and Life Science Facility at the Japan Accelerator Research Complex, Japan. Analysis of the QENS spectra obtained shows that diffusive global motions are observed in the monomeric state but largely suppressed in the fibril state. However, the amplitude of the side chain motion is shown to be larger in the fibril state than in the monomeric state. This implies that significant solvent space exists within the fibrils, which is attributed to the αSyn molecules within the fibrils having a distribution of conformations. The larger amplitude of the side chain motion in the fibril state than in the monomeric state implies that the fibril state is entropically favorable.

  20. Micellar aggregates of saponins from Chenopodium quinoa: characterization by dynamic light scattering and transmission electron microscopy.

    Science.gov (United States)

    Verza, S G; de Resende, P E; Kaiser, S; Quirici, L; Teixeira, H F; Gosmann, G; Ferreira, F; Ortega, G G

    2012-04-01

    Entire seeds of Chenopodium quinoa Willd are a rich protein source and are also well-known for their high saponin content. Due to their amphiphily quinoa saponins are able to form intricate micellar aggregates in aqueous media. In this paper we study the aggregates formed by self-association of these compounds from two quinoa saponin fractions (FQ70 and FQ90) as well as several distinctive nanostructures obtained after their complexation with different ratios of cholesterol (CHOL) and phosphatidylcholine (PC). The FQ70 and FQ90 fractions were obtained by reversed-phase preparative chromatography. The structural features of their resulting aggregates were determined by Dynamic Light Scattering (DLS) and Transmission Electron Microscopy (TEM). Novel nanosized spherical vesicles formed by self-association with mean diameter about 100-200 nm were observed in FQ70 aqueous solutions whereas worm-like micelles an approximate width of 20 nm were detected in FQ90 aqueous solutions. Under experimental conditions similar to those reported for the preparation of Quillaja saponaria ISCOM matrices, tubular and ring-like micelles arose from FQ70:CHOL:PC and FQ90:CHOL:PC formulations, respectively. However, under these conditions no cage-like ISCOM matrices were observed. The saponin composition of FQ70 and FQ90 seems to determine the nanosized structures viewed by TEM. Phytolaccagenic acid, predominant in FQ70 and FQ90 fractions, is accountable for the formation of the nanosized vesicles and tubular structures observed by TEM in the aqueous solutions of both samples. Conversely, ring-like micelles observed in FQ90:CHOL:PC complexes can be attributed to the presence of less polar saponins present in FQ90, in particular those derived from oleanolic acid.

  1. Intramolecular diffusive motion in alkane monolayers studied by high-resolution quasielastic neutron scattering and molecular dynamics simulations

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Criswell, L.; Fuhrmann, D

    2004-01-01

    Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring on a time scale of similar to0.1-4 ns. We present evidence...... that these relatively slow motions are observable by high-energy-resolution quasielastic neutron scattering (QNS) thus demonstrating QNS as a technique, complementary to nuclear magnetic resonance, for studying conformational dynamics on a nanosecond time scale in molecular monolayers....

  2. Hydrogen dynamics in Na3AlH6: A combined density functional theory and quasielastic neutron scattering study

    DEFF Research Database (Denmark)

    Voss, Johannes; Shi, Qing; Jacobsen, Hjalte Sylvest

    2007-01-01

    alanate with TiCl3, and here we study hydrogen dynamics in doped and undoped Na3AlH6 using a combination of density functional theory calculations and quasielastic neutron scattering. The hydrogen dynamics is found to be vacancy mediated and dominated by localized jump events, whereas long-range bulk......Understanding the elusive catalytic role of titanium-based additives on the reversible hydrogenation of complex hydrides is an essential step toward developing hydrogen storage materials for the transport sector. Improved bulk diffusion of hydrogen is one of the proposed effects of doping sodium...... defect motion in sodium alanate could result from vacancy-mediated sodium diffusion....

  3. Point defect dynamics in sodium aluminum hydrides - a combined quasielastic neutron scattering and density functional theory study

    DEFF Research Database (Denmark)

    Shi, Qing; Voss, Johannes; Jacobsen, H.S.

    2007-01-01

    we study hydrogen dynamics in undoped and TiCl3-doped samples of NaAlH4 and Na3AlH6 using a combination of density functional theory calculations and quasielastic neutron scattering. Hydrogen dynamics is found to be limited and mediated by hydrogen vacancies in both alanate phases, requiring......Understanding the catalytic role of titanium-based additives on the reversible hydrogenation of complex metal hydrides is an essential step towards developing hydrogen storage materials for the transport sector. Improved bulk diffusion of hydrogen is one of the proposed catalytic effects, and here...

  4. Water dynamics in hardened ordinary Portland cement paste or concrete: from quasielastic neutron scattering.

    Science.gov (United States)

    Bordallo, Heloisa N; Aldridge, Laurence P; Desmedt, Arnaud

    2006-09-14

    Portland cement reacts with water to form an amorphous paste through a chemical reaction called hydration. In concrete the formation of pastes causes the mix to harden and gain strength to form a rock-like mass. Within this process lies the key to a remarkable peculiarity of concrete: it is plastic and soft when newly mixed, strong and durable when hardened. These qualities explain why one material, concrete, can build skyscrapers, bridges, sidewalks and superhighways, houses, and dams. The character of the concrete is determined by the quality of the paste. Creep and shrinkage of concrete specimens occur during the loss and gain of water from cement paste. To better understand the role of water in mature concrete, a series of quasielastic neutron scattering (QENS) experiments were carried out on cement pastes with water/cement ratio varying between 0.32 and 0.6. The samples were cured for about 28 days in sealed containers so that the initial water content would not change. These experiments were carried out with an actual sample of Portland cement rather than with the components of cement studied by other workers. The QENS spectra differentiated between three different water interactions: water that was chemically bound into the cement paste, the physically bound or "glassy water" that interacted with the surface of the gel pores in the paste, and unbound water molecules that are confined within the larger capillary pores of cement paste. The dynamics of the "glassy" and "unboud" water in an extended time scale, from a hundred picoseconds to a few nanoseconds, could be clearly differentiated from the data. While the observed motions on the picosecond time scale are mainly stochastic reorientations of the water molecules, the dynamics observed on the nanosecond range can be attributed to long-range diffusion. Diffusive motion was characterized by diffusion constants in the range of (0.6-2) 10(-9) m(2)/s, with significant reduction compared to the rate of diffusion

  5. Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

    Energy Technology Data Exchange (ETDEWEB)

    Kroes, Geert-Jan, E-mail: g.j.kroes@chem.leidenuniv.nl; Pavanello, Michele [Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Blanco-Rey, María [Departamento de Física de Materiales, Facultad de Químicas UPV/EHU, Apartado 1072, 20080 Donostia-San Sebastián (Spain); Donostia International Physics Center, Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Alducin, Maite [Donostia International Physics Center, Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Centro de Física de Materiales, Centro Mixto CSIC-UPV/EHU, Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián (Spain); Auerbach, Daniel J. [Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Max Planck Institute for Biophysical Chemistry, Göttingen (Germany); Institute for Physical Chemistry, Georg-August University of Göttingen, Göttingen (Germany)

    2014-08-07

    Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of the incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction (“EF”) model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated “post” (“p”) the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy

  6. Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111).

    Science.gov (United States)

    Kroes, Geert-Jan; Pavanello, Michele; Blanco-Rey, María; Alducin, Maite; Auerbach, Daniel J

    2014-08-07

    Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of the incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction ("EF") model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated "post" ("p") the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the

  7. Enhanced Dynamics of Hydrated tRNA on Nanodiamond Surfaces: A Combined Neutron Scattering and MD Simulation Study.

    Science.gov (United States)

    Dhindsa, Gurpreet K; Bhowmik, Debsindhu; Goswami, Monojoy; O'Neill, Hugh; Mamontov, Eugene; Sumpter, Bobby G; Hong, Liang; Ganesh, Panchapakesan; Chu, Xiang-Qiang

    2016-09-14

    Nontoxic, biocompatible nanodiamonds (ND) have recently been implemented in rational, systematic design of optimal therapeutic use in nanomedicines. However, hydrophilicity of the ND surface strongly influences structure and dynamics of biomolecules that restrict in situ applications of ND. Therefore, fundamental understanding of the impact of hydrophilic ND surface on biomolecules at the molecular level is essential. For tRNA, we observe an enhancement of dynamical behavior in the presence of ND contrary to generally observed slow motion at strongly interacting interfaces. We took advantage of neutron scattering experiments and computer simulations to demonstrate this atypical faster dynamics of tRNA on ND surface. The strong attractive interactions between ND, tRNA, and water give rise to unlike dynamical behavior and structural changes of tRNA in front of ND compared to without ND. Our new findings may provide new design principles for safer, improved drug delivery platforms.

  8. Structure and dynamics of biomembranes in room-temperature ionic liquid water solutions studied by neutron scattering and by molecular dynamics simulations

    Science.gov (United States)

    Benedetto, Antonio; Ballone, Pietro

    2018-05-01

    Increasing attention is being devoted to the interaction of a new class of organic ionic liquids known as room-temperature ionic liquids (RTILs) with biomolecules, partly because of health and environment concerns, and, even more, for the prospect of exciting new applications in biomedicine, sensing and energy technologies. Here we focus on the interaction between RTILs and phospholipid bilayers that are well-accepted models for bio-membranes. We discuss how neutron scattering has been used to probe both the structure and the dynamics of these systems, and how its integration with molecular dynamics simulation has allowed the determination of the microscopic details of their interaction.

  9. Innovative Adolescent Chemical Dependency Treatment and Its Outcome: A Model Based on Outward Bound Programming.

    Science.gov (United States)

    McPeake, John D.; And Others

    1991-01-01

    Describes adolescent chemical dependency treatment model developed at Beech Hill Hospital (New Hampshire) which integrated Twelve Step-oriented alcohol and drug rehabilitation program with experiential education school, Hurricane Island Outward Bound School. Describes Beech Hill Hurricane Island Outward Bound School Adolescent Chemical Dependency…

  10. Outward Bound Giwaykiwin: Connecting to Land and Culture through Indigenous Outdoor Education

    Science.gov (United States)

    Lowan, Greg

    2007-01-01

    Outward Bound Canada's (OBC) Giwaykiwin Program was founded in 1985 in response to a recognized need for programming specific to students from Indigenous backgrounds. The Giwaykiwin program aims to integrate Outward Bound (OB) and Indigenous philosophies and traditions. Giwaykiwin means "coming home" in Ojibwa and signifies the program's…

  11. Neutron scattering studies of the dynamics of biological systems as a function of hydration, temperature and pressure

    International Nuclear Information System (INIS)

    Trapp, Marcus

    2010-01-01

    Incoherent elastic and quasi-elastic neutron scattering were used to measure membrane and protein dynamics in the nano- to picosecond time and Angstrom length scale. The hydration dependent dynamics of DMPC model membranes was studied using elastic and quasi-elastic neutron scattering. The elastic experiments showed a clear shift of the temperature of the main phase transition to higher temperatures with decreasing hydration level. The performed quasi-elastic measurements demonstrated nicely the influence, hydration has on the diffusive motions of the head lipid groups. Different models are necessary to fit the Q-dependence of the elastic incoherent structure factor and show therefore the reduced mobility as a result of reduced water content. In addition to temperature, pressure as a second thermodynamic variable was used to explore dynamics of DMPC membranes. The ordering introduced by applying pressure has similar effect to decreased hydration, therefore both approaches are complementary. Covering three orders of magnitude in observation time, the dynamics of native AChE and its complexed counterpart in presence of Huperzin A was investigated in the range from 1 ns to 100 ps. The mean square displacements obtained from the elastic data allowed the determination of activation energies and gave evidence that a hierarchy of motions contributes to the enzymatic activity. Diffusion constants and residence times were extracted from the quasi-elastic broadening. (author) [fr

  12. Neutron scattering. Lectures

    Energy Technology Data Exchange (ETDEWEB)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner [eds.

    2010-07-01

    The following topics are dealt with: Neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

  13. Neutron scattering. Lectures

    International Nuclear Information System (INIS)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner

    2013-01-01

    The following topics are dealt with: Neutron sources, symmetry of crystals, nanostructures investigated by small-angle neutron scattering, structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic neutron scattering, strongly correlated electrons, polymer dynamics, applications of neutron scattering. (HSI)

  14. Neutron scattering. Lectures

    International Nuclear Information System (INIS)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner

    2010-01-01

    The following topics are dealt with: Neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

  15. Time evolution of photon-pulse propagation in scattering and absorbing media: The dynamic radiative transfer system

    Science.gov (United States)

    Georgakopoulos, A.; Politopoulos, K.; Georgiou, E.

    2018-03-01

    A new dynamic-system approach to the problem of radiative transfer inside scattering and absorbing media is presented, directly based on first-hand physical principles. This method, the Dynamic Radiative Transfer System (DRTS), employs a dynamical system formality using a global sparse matrix, which characterizes the physical, optical and geometrical properties of the material-volume of interest. The new system state is generated by the above time-independent matrix, using simple matrix-vector multiplication for each subsequent time step. DRTS is capable of calculating accurately the time evolution of photon propagation in media of complex structure and shape. The flexibility of DRTS allows the integration of time-dependent sources, boundary conditions, different media and several optical phenomena like reflection and refraction in a unified and consistent way. Various examples of DRTS simulation results are presented for ultra-fast light pulse 3-D propagation, demonstrating greatly reduced computational cost and resource requirements compared to other methods.

  16. Quasielastic neutron scattering and molecular dynamics simulation studies of the melting transition in butane and hexane monolayers adsorbed on graphite

    DEFF Research Database (Denmark)

    Hervig, K.W.; Wu, Z.; Dai, P.

    1997-01-01

    Quasielastic neutron scattering experiments and molecular dynamics (MD) simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed...... comparison with experiment, quasielastic spectra calculated from the MD simulations were analyzed using the same models and fitting algorithms as for the neutron spectra. This combination of techniques gives a microscopic picture of the melting process in these two monolayers which is consistent with earlier...... neutron diffraction experiments. Butane melts abruptly to a liquid phase where the molecules in the trans conformation translationally diffuse while rotating about their center of mass. In the case of the hexane monolayer, the MD simulations show that the appearance of quasielastic scattering below T...

  17. High-resolution inelastic X-ray scattering to study the high-frequency atomic dynamics of disordered systems

    International Nuclear Information System (INIS)

    Monaco, G.

    2008-01-01

    The use of momentum-resolved inelastic X-ray scattering with meV energy resolution to study the high-frequency atomic dynamics in disordered systems is here reviewed. The typical realization of this experiment is described together with some common models used to interpret the measured spectra and to extract parameters of interest for the investigation of disordered systems. With the help of some selected examples, the present status of the field is discussed. Particular attention is given to those results which are still open for discussion or controversial, and which will require further development of the technique to be fully solved. Such an instrumental development seems nowadays possible at the light of recently proposed schemes for advanced inelastic X-ray scattering spectrometers. (author)

  18. Theory of magnetic neutron small-angle scattering using the dynamical theory of diffraction instead of the Born approximation. I

    International Nuclear Information System (INIS)

    Schaerpf, O.

    1978-01-01

    Two ways are given for solving the problem of the dependence of the refraction on the direction of magnetization on both sides of the refractive boundary, one applying the Halpern magnetic scattering vector, the other applying the dynamical theory of diffraction. They lead to different results. Experimental investigation of refraction by magnetic boundaries shows no dependence of the angle of deflection on the relative angles of magnetization in adjacent domains. This behaviour is only described correctly by the dynamical theory, which far from Laue reflections leads to a treatment by the Schoedinger equation with a spin-dependent potential dependent on the average continuous homogenous magnetic induction, both for the law of refraction and for the precession of the spin. The results of this treatment are discussed as a consequence of the behaviour of the spin of the neutrons. This gives some insight about how and why, with refraction, the intensities of the direct and deflected beams depend on the magnetization directions in adjacent domains. The dynamical theory also shows that the Halpern magnetic scattering vector applies only with Laue or Bragg reflections and not with transmission far from those reflections. (Auth.)

  19. Elucidation of the structure of organic solutions in solvent extraction by combining molecular dynamics and X-ray scattering

    International Nuclear Information System (INIS)

    Ferru, G.; Gomes Rodrigues, D.; Berthon, L.; Guilbaud, P.; Diat, O.; Bauduin, P.

    2014-01-01

    Knowledge of the supramolecular structure of the organic phase containing amphiphilic ligand molecules is mandatory for full comprehension of ionic separation during solvent extraction. Existing structural models are based on simple geometric aggregates, but no consensus exists on the interaction potentials. Herein, we show that molecular dynamics crossed with scattering techniques offers key insight into the complex fluid involving weak interactions without any long range ordering. Two systems containing mono- or diamide extractants in heptane and contacted with an aqueous phase were selected as examples to demonstrate the advantages of coupling the two approaches for furthering fundamental studies on solvent extraction. (authors)

  20. Real-Time Measurements and Modelling on Dynamic Behaviour of SonoVue Bubbles Based on Light Scattering Technology

    International Nuclear Information System (INIS)

    Juan, Tu; Rongjue, Wei; Guan, J. F.; Matula, T. J.; Crum, L. A.

    2008-01-01

    The dynamic behaviour of SonoVue microbubbles, a new generation ultrasound contrast agent, is investigated in real time with light scattering method. Highly diluted SonoVue microbubbles are injected into a diluted gel made of xanthan gum and water. The responses of individual SonoVue bubbles to driven ultrasound pulses are measured. Both linear and nonlinear bubble oscillations are observed and the results suggest that SonoVue microbubbles can generate strong nonlinear responses. By fitting the experimental data of individual bubble responses with Sarkar's model, the shell coating parameter of the bubbles and dilatational viscosity is estimated to be 7.0 nm·s·Pa

  1. A comparison of atomic force microscopy (AFM) and dynamic light scattering (DLS) methods to characterize nanoparticle size distributions

    International Nuclear Information System (INIS)

    Hoo, Christopher M.; Starostin, Natasha; West, Paul; Mecartney, Martha L.

    2008-01-01

    This paper compares the accuracy of conventional dynamic light scattering (DLS) and atomic force microscopy (AFM) for characterizing size distributions of polystyrene nanoparticles in the size range of 20-100 nm. Average DLS values for monosize dispersed particles are slightly higher than the nominal values whereas AFM values were slightly lower than nominal values. Bimodal distributions were easily identified with AFM, but DLS results were skewed toward larger particles. AFM characterization of nanoparticles using automated analysis software provides an accurate and rapid analysis for nanoparticle characterization and has advantages over DLS for non-monodispersed solutions.

  2. Nonequilibrium lattice-driven dynamics of stripes in nickelates using time-resolved x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Lee, W.S.; Kung, Y.F.; Moritz, B.; Coslovich, G.; Kaindl, R.A.; Chuang, Y.D.; Moore, R.G.; Lu, D.H.; Kirchmann, P.S.; Robinson, J.S.; Minitti, M.P.; Dakovski, G.; Schlotter, W.F.; Turner, J.J.; Gerber, S.; Sasagawa, T.; Hussain, Z.; Shen, Z.X.; Devereaux, T.P.

    2017-03-13

    We investigate the lattice coupling to the spin and charge orders in the striped nickelate, La 1.75 Sr 0.25 NiO 4 , using time-resolved resonant x-ray scattering. Lattice-driven dynamics of both spin and charge orders are observed when the pump photon energy is tuned to that of an E u bond- stretching phonon. We present a likely scenario for the behavior of the spin and charge order parameters and its implications using a Ginzburg-Landau theory.

  3. Static and dynamic scattering from ternary polymer blends: Bicontinuous microemulsions, Lifshitz lines, and amphiphilicity

    Czech Academy of Sciences Publication Activity Database

    Morkved, T. L.; Štěpánek, Petr; Krishnan, K.; Bates, F. S.; Lodge, T. P.

    2001-01-01

    Roč. 114, č. 16 (2001), s. 7247-7259 ISSN 0021-9606 R&D Projects: GA AV ČR IAA1050902; GA AV ČR KSK2050602 Institutional research plan: CEZ:AV0Z4050913 Keywords : Polymer blends * microemulsion * small-angle neutron scattering Subject RIV: BJ - Thermodynamics Impact factor: 3.147, year: 2001

  4. Inelastic neutron scattering and lattice dynamics of GaPO4

    Indian Academy of Sciences (India)

    The measurements in low-cristobalite phase of GaPO4 are car- ried out using high-resolution ... energy transfer range 0–160 meV. Semiempirical interatomic ... Inelastic neutron scattering; phonons; thermal expansion. PACS Nos 78.70.

  5. Studies of earthquakes stress drops, seismic scattering, and dynamic triggering in North America

    Science.gov (United States)

    Escudero Ayala, Christian Rene

    I use the Relative Source Time Function (RSTF) method to determine the source properties of earthquakes within southeastern Alaska-northwestern Canada in a first part of the project, and earthquakes within the Denali fault in a second part. I deconvolve a small event P-arrival signal from a larger event by the following method: select arrivals with a tapered cosine window, fast fourier transform to obtain the spectrum, apply water level deconvolution technique, and bandpass filter before inverse transforming the result to obtain the RSTF. I compare the source processes of earthquakes within the area to determine stress drop differences to determine their relation with the tectonic setting of the earthquakes location. Results show an consistency with previous results, stress drop independent of moment implying self-similarity, correlation of stress drop with tectonic regime, stress drop independent of depth, stress drop depends of focal mechanism where strike-slip present larger stress drops, and decreasing stress drop as function of time. I determine seismic wave attenuation in the central western United States using coda waves. I select approximately 40 moderate earthquakes (magnitude between 5.5 and 6.5) located alocated along the California-Baja California, California-Nevada, Eastern Idaho, Gulf of California, Hebgen Lake, Montana, Nevada, New Mexico, off coast of Northern California, off coast of Oregon, southern California, southern Illinois, Vancouver Island, Washington, and Wyoming regions. These events were recorded by the EarthScope transportable array (TA) network from 2005 to 2009. We obtain the data from the Incorporated Research Institutions for Seismology (IRIS). In this study we implement a method based on the assumption that coda waves are single backscattered waves from randomly distributed heterogeneities to calculate the coda Q. The frequencies studied lie between 1 and 15 Hz. The scattering attenuation is calculated for frequency bands centered

  6. Polymer and Water Dynamics in Poly(vinyl alcohol/Poly(methacrylate Networks. A Molecular Dynamics Simulation and Incoherent Neutron Scattering Investigation

    Directory of Open Access Journals (Sweden)

    Ester Chiessi

    2011-10-01

    Full Text Available Chemically cross-linked polymer networks of poly(vinyl alcohol/poly(methacrylate form monolitic hydrogels and microgels suitable for biomedical applications, such as in situ tissue replacement and drug delivery. In this work, molecular dynamics (MD simulation and incoherent neutron scattering methods are used to study the local polymer dynamics and the polymer induced modification of water properties in poly(vinyl alcohol/poly(methacrylate hydrogels. This information is particularly relevant when the diffusion of metabolites and drugs is a requirement for the polymer microgel functionality. MD simulations of an atomic detailed model of the junction domain at the experimental hydration degree were carried out at 283, 293 and 313 K. The polymer-water interaction, the polymer connectivity and the water dynamics were investigated as a function of temperature. Simulation results are compared with findings of elastic and quasi-elastic incoherent neutron scattering measurements, experimental approaches which sample the same space-time window of MD simulations. This combined analysis shows a supercooled water component and an increase of hydrophilicity and mobility with temperature of these amphiphilic polymer networks.

  7. Doubly versus singly positively charged oxygen ions back-scattered from a silicon surface under dynamic O2+ bombardment

    International Nuclear Information System (INIS)

    Franzreb, Klaus; Williams, Peter; Loerincik, Jan; Sroubek, Zdenek

    2003-01-01

    Mass-resolved (and emission-charge-state-resolved) low-energy ion back-scattering during dynamic O 2 + bombardment of a silicon surface was applied in a Cameca IMS-3f secondary ion mass spectrometry (SIMS) instrument to determine the bombarding energy dependence of the ratio of back-scattered O 2+ versus O + . While the ratio of O 2+ versus O + drops significantly at reduced bombarding energies, O 2+ back-scattered from silicon was still detectable at an impact energy (in the lab frame) as low as about 1.6 keV per oxygen atom. Assuming neutralization prior to impact, O 2+ ion formation in an asymmetric 16 O→ 28 Si collision is expected to take place via 'collisional double ionization' (i.e. by promotion of two outer O 2p electrons) rather than by the production of an inner-shell (O 2s or O 1s) core hole followed by Auger-type de-excitation during or after ejection. A molecular orbital (MO) correlation diagram calculated for a binary 'head-on' O-Si collision supports this interpretation

  8. Understanding nucleic acid structural changes by comparing wide-angle x-ray scattering (WAXS) experiments to molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Pabit, Suzette A.; Katz, Andrea M.; Pollack, Lois [School of Applied and Engineering Physics, Cornell University, Ithaca, New York 14853 (United States); Tolokh, Igor S. [Department of Computer Science, Virginia Tech, Blacksburg, Virginia 24061 (United States); Drozdetski, Aleksander [Department of Physics, Virginia Tech, Blacksburg, Virginia 24061 (United States); Baker, Nathan [Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Onufriev, Alexey V. [Department of Computer Science, Virginia Tech, Blacksburg, Virginia 24061 (United States); Department of Physics, Virginia Tech, Blacksburg, Virginia 24061 (United States)

    2016-05-28

    Wide-angle x-ray scattering (WAXS) is emerging as a powerful tool for increasing the resolution of solution structure measurements of biomolecules. Compared to its better known complement, small angle x-ray scattering (SAXS), WAXS targets higher scattering angles and can enhance structural studies of molecules by accessing finer details of solution structures. Although the extension from SAXS to WAXS is easy to implement experimentally, the computational tools required to fully harness the power of WAXS are still under development. Currently, WAXS is employed to study structural changes and ligand binding in proteins; however, the methods are not as fully developed for nucleic acids. Here, we show how WAXS can qualitatively characterize nucleic acid structures as well as the small but significant structural changes driven by the addition of multivalent ions. We show the potential of WAXS to test all-atom molecular dynamics (MD) simulations and to provide insight into understanding how the trivalent ion cobalt(III) hexammine (CoHex) affects the structure of RNA and DNA helices. We find that MD simulations capture the RNA structural change that occurs due to addition of CoHex.

  9. On possible contribution of standing wave like spacer dynamics in polymer liquid crystals to quasi-elastic cold neutron scattering spectra

    International Nuclear Information System (INIS)

    Jecl, R.; Cvikl, B.

    1998-01-01

    The quasi-elastic cold neutron incoherent scattering law, QNS, for the assumed case of transversal standing wave type of motion of the linear chain a spacer-of the polyacrylate polymer liquid crystal, based upon the random walk of the particle between two perfectly potential barriers, is derived. The spacer protons are taken to vibrate (within the stationary plane) transversely to the line joining the oxygen atoms in a way where they are all simultaneously displaced in the same direction with amplitudes of the standing wave fundamental mode of the vibration excited. The calculated relevant incoherent scattering law is found to be a non-distinct function of the scattering vector Q, in the sense that the postulated dynamical effect of the spacer protons causes the peak value of the calculated incoherent scattering law, S(Q,ω), to remain constant throughout the experimentally accessible range of the scattering vector Q. It appears that, when the experimental resolution broadening effects is taken into account, the contribution of the postulated dynamical behavior to the measured QNS spectra might be small, particularly so, if dome additional motion of the scatters is present, and consequently the standing wave like spacer dynamics in polymer liquid crystals will be very difficult to be identified uniquely in the quasielastic neutron scattering experiments.(author)

  10. Peculiar atomic dynamics in liquid GeTe with asymmetrical bonding: Observation by inelastic x-ray scattering

    Science.gov (United States)

    Inui, M.; Koura, A.; Kajihara, Y.; Hosokawa, S.; Chiba, A.; Kimura, K.; Shimojo, F.; Tsutsui, S.; Baron, A. Q. R.

    2018-05-01

    Collective dynamics in liquid GeTe was investigated by inelastic x-ray scattering at 2 ≤Q ≤31 nm-1 . The dynamic structure factor shows clear inelastic excitations. The excitation energies at low Q disperse with increasing Q , consistent with the behavior of a longitudinal-acoustic excitation. The dispersion curve has a flat-topped region around the pseudo-Brillouin-zone boundary, similar to what is observed in liquid Bi [Inui et al., Phys. Rev. B 92, 054206 (2015), 10.1103/PhysRevB.92.054206]. The dynamic structure factor shows a low-frequency excitation, and its coupling with the longitudinal-acoustic mode plays an important role for a flat-topped dispersion. From these results, it is inferred that atomic dynamics in liquid GeTe is strongly affected by a Peierls distortion similar to liquid Bi. By comparing the momentum transfer dependence of the excitation energy and quasielastic linewidth to partial structure factors obtained by our own ab initio molecular dynamics simulation for liquid GeTe, the quasielastic and inelastic components were found to be correlated with Te-Te and Ge-(Ge,Te) partial structure factors, respectively.

  11. Neutron scattering. Lectures

    Energy Technology Data Exchange (ETDEWEB)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner (eds.)

    2010-07-01

    The following topics are dealt with: Neutron sources, neutron properties and elastic scattering, correlation functions measured by scattering experiments, symmetry of crystals, applications of neutron scattering, polarized-neutron scattering and polarization analysis, structural analysis, magnetic and lattice excitation studied by inelastic neutron scattering, macromolecules and self-assembly, dynamics of macromolecules, correlated electrons in complex transition-metal oxides, surfaces, interfaces, and thin films investigated by neutron reflectometry, nanomagnetism. (HSI)

  12. Neutron scattering. Lectures

    International Nuclear Information System (INIS)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner

    2010-01-01

    The following topics are dealt with: Neutron sources, neutron properties and elastic scattering, correlation functions measured by scattering experiments, symmetry of crystals, applications of neutron scattering, polarized-neutron scattering and polarization analysis, structural analysis, magnetic and lattice excitation studied by inelastic neutron scattering, macromolecules and self-assembly, dynamics of macromolecules, correlated electrons in complex transition-metal oxides, surfaces, interfaces, and thin films investigated by neutron reflectometry, nanomagnetism. (HSI)

  13. Lattice dynamics of Ba1-xKxBiO3 as studied by neutron scattering and computer simulation

    International Nuclear Information System (INIS)

    Belushkin, A.V.; Vagov, A.V.; Zemlyanov, M.G.; Parshin, P.P.

    1991-01-01

    A time-of-flight neutron inelastic scattering study of the lattice dynamics of Ba 1-x K x BiO 3 for x=0.0 and x=0.4 has been performed for the temperatures 10 K, 80 K and 290 K. No temperature effects were found for the generalized phonon density of states. The phonon spectrum of a superconducting sample reveals less in number van Hove singularities and softens in comparison with that of the nonsuperconducting one. On the basis of the simple model for interatomic potential the lattice dynamics of this system was calculated. Some features of the structural phase diagram and the optical spectroscopy data were explained using this model. The calculated phonon density of states was found to be in good agreement with experiment. 36 refs.; 3 figs

  14. State-to-state dynamics of the H*(n) + HD → D*(n′) + H2 reactive scattering

    International Nuclear Information System (INIS)

    Yu, Shengrui; Su, Shu; Dai, Dongxu; Yuan, Kaijun; Yang, Xueming

    2014-01-01

    The state-to-state dynamics of the H * (n) + HD → D * (n ′ ) + H 2 reactive scattering at the collision energy of 0.5 eV have been carried out for the first time by using H-atom Rydberg tagging time-of-flight technique. Experimental results show that the angular distribution of the total H 2 products presents clearly forward-backward asymmetric, which considerably differs from that of the corresponding H + + HD → D + + H 2 reaction predicted by previously theoretical calculations. Such disagreement between these two processes suggests that the Fermi independent-collider model is also not valid in describing the dynamics of isotopic variants of the H * + H 2 reaction. The rotational state distribution of the H 2 products demonstrates a saw-toothed distribution with odd-j ′ > even-j ′ . This interesting observation is strongly influenced by nuclear spin statistics

  15. Structural relaxation in the dynamics of glycerol: a joint visible, UV and x-ray inelastic scattering study

    International Nuclear Information System (INIS)

    Giugni, A; Cunsolo, A

    2006-01-01

    We describe an experimental study of the dynamic structure factor of liquid glycerol performed by complementary inelastic techniques such as Brillouin visible, ultraviolet and x-ray scattering. The spectra have been collected as a function of both temperature and momentum transfer. The relevant hypersonic parameters are evaluated from the spectral lineshape analysis modelling the data with a simple hydrodynamic profile. The study of their frequency dependence allows us to observe the occurrence of an active structural relaxation and to measure the related timescale. We also find signatures of further relaxation processes occurring below the accessible frequency window. As a result, the dynamic window traditionally probed in spectroscopic experiments is greatly extended and partially bridges the gap between MHz and THz techniques

  16. Experimental study of the fusion dynamics of 32,34S + 197Au with quasi-elastic scattering

    International Nuclear Information System (INIS)

    Schuck, T.J.; Dasgupta, M.; Timmers, H.

    2000-01-01

    Full text: The fusion dynamics of heavy systems, such as 64 Ni + 208 Pb, leading to the synthesis of super-heavy elements is presently not fully understood. Typical beam energies in such reactions are of the order or smaller than the Coulomb barrier height to minimize the excitation energy of the compound system and increase the survival probability of evaporation residues. It is known that at such energies the relative motion of projectile and target couples to internal degrees of freedom of the system, such as collective motion and particle transfer. This can give rise to a distribution of fusion barriers, which generally leads to an enhancement of the fusion cross-section below the Coulomb barrier. The important role of the individual degrees of freedom can be identified by extracting representations of the barrier distribution from fusion excitation functions. Complementary representations can be obtained from measurements of the quasi-elastic or elastic scattering excitation functions at backward angles. The sensitivity of the representations from scattering is limited to the lower energy part of the barrier distribution, which, however, may contain important signatures of positive Q-value neutron transfer channels. Neutron transfer may be a precursor of neutron flow and neck-formation, which are considered in macroscopic models of the fusion of heavy systems. In order to study the influence of neutron transfer in heavy fusion reactions, quasielastic scattering has been measured for 32 , 34 S + 197 Au at energies spanning the Coulomb barrier. The quasi-elastic yield, including inelastic and transfer reactions, was detected at 165 deg with a Si-surface barrier detector. The excitation functions have been normalized to Rutherford scattering, detected at 30 deg using an existing gas ionisation detector. Representations of the barrier distributions have been extracted and are compared with earlier measurements for 32 S + 208 Pb

  17. Probing the hydrogen equilibrium and kinetics in zeolite imidazolate frameworks via molecular dynamics and quasi-elastic neutron scattering experiments.

    Science.gov (United States)

    Pantatosaki, Evangelia; Jobic, Hervé; Kolokolov, Daniil I; Karmakar, Shilpi; Biniwale, Rajesh; Papadopoulos, George K

    2013-01-21

    The problem of simulating processes involving equilibria and dynamics of guest sorbates within zeolitic imidazolate frameworks (ZIF) by means of molecular dynamics (MD) computer experiments is of growing importance because of the promising role of ZIFs as molecular "traps" for clean energy applications. A key issue for validating such an atomistic modeling attempt is the possibility of comparing the MD results, with real experiments being able to capture analogous space and time scales to the ones pertained to the computer experiments. In the present study, this prerequisite is fulfilled through the quasi-elastic neutron scattering technique (QENS) for measuring self-diffusivity, by elaborating the incoherent scattering signal of hydrogen nuclei. QENS and MD experiments were performed in parallel to probe the hydrogen motion, for the first time in ZIF members. The predicted and measured dynamics behaviors show considerable concentration variation of the hydrogen self-diffusion coefficient in the two topologically different ZIF pore networks of this study, the ZIF-3 and ZIF-8. Modeling options such as the flexibility of the entire matrix versus a rigid framework version, the mobility of the imidazolate ligand, and the inclusion of quantum mechanical effects in the potential functions were examined in detail for the sorption thermodynamics and kinetics of hydrogen and also of deuterium, by employing MD combined with Widom averaging towards studying phase equilibria. The latter methodology ensures a rigorous and efficient way for post-processing the dynamics trajectory, thereby avoiding stochastic moves via Monte Carlo simulation, over the large number of configurational degrees of freedom a nonrigid framework encompasses.

  18. Phase separation temperatures of a liquid mixture: Dynamic light scattering technique

    International Nuclear Information System (INIS)

    Dangudom, K.; Wongtawatnugool, C.; Lacharojana, S.

    2010-01-01

    Light scattering intensity measurements and photon correlation spectroscopy (PCS) techniques were employed in an investigation of liquid-liquid phase separation behaviour of a mixture of cyclohexane and methanol at seven different compositions. It was found that, except for one composition (29% methanol), the temperature at which the scattering intensity was a maximum did not coincide with the one where the diffusion coefficient was a minimum, as would be for the case of a vapour-liquid system. The difference may be explained in terms of the local density fluctuation and the random walk problem responsible for the peak intensity and the minimum in the diffusion coefficient, respectively. The definition of phase separation temperature, as determined from diffusion process, was also proposed in this work.

  19. Fast ion dynamics in ASDEX upgrade and TEXTOR measured by collective Thomson scattering

    International Nuclear Information System (INIS)

    Moseev, D.

    2011-11-01

    Fast ions are an essential ingredient in burning nuclear fusion plasmas: they are responsible for heating the bulk plasma, carry a significant amount of plasma current and moreover interact with various magnetohydrodynamic (MHD) instabilities. The collective Thomson scattering (CTS) diagnostic is sensitive to the projection of fast ion velocity distribution function. This thesis is mainly devoted to investigations of fast ion physics in tokamak plasmas by means of CTS. (Author)

  20. A dynamic elastic and inelastic scattering theory of high-energy electrons

    International Nuclear Information System (INIS)

    Wang Zhonglin

    1990-01-01

    A review is given on the applications of elastic multislice theory for simulating the images and diffractions of reflection electron microscopy. The limitation of this theory is illustrated according to some experimental observations. A generalized elastic and inelastic multislice theory is then introduced from quantum mechanics; its applications for approaching inelastic plasmon excitation and phonon excitation (or thermal diffuse scattering) are discussed. The energy-filtered inelastic high resolution images can be simulated based on this theory

  1. Stimulated Raman scattering and ion dynamics: the role of Langmuir wave non-linearities

    International Nuclear Information System (INIS)

    Bonnaud, G.; Pesme, D.

    1988-02-01

    The non-linear evolution of stimulated Raman scattering by coupling of the SRS-driven Langmuir waves to ion acoustic waves is studied numerically, in a homogeneous density laser-irradiated plasma. The coupled wave amplitude behaviour is represented either by envelope equations or by complete wave-like equations. The various physical phenomena which are involved are described. This preliminary work has been presented at the 17th Anomalous Absorption Conference, held in last May, in Lake Tahoe City (USA) [fr

  2. Spin dynamics in ferromagnets: Gilbert dymping and two-magnon scattering

    Czech Academy of Sciences Publication Activity Database

    Zakeri, Kh.; Lindner, J.; Barsukov, I.; Meckenstock, R.; Farle, M.; von Horsten, U.; Wende, H.; Keune, W.; Rocker, J.; Kalarickal, S.S.; Lenz, K.; Kuch, W.; Baberschke, K.; Frait, Zdeněk

    2007-01-01

    Roč. 76, č. 10 (2007), 104416/1-104416/8 ISSN 1098-0121 Grant - others:Deutsche Forschunggemeinschaft(DE) Sfb 491; EC Marie Curie Research Training Network(XE) MRTN-CT-2004-005567, 2004-2008 Institutional research plan: CEZ:AV0Z10100520 Keywords : ferromagnetic resonance * Gilbert damping * two-magnon scattering * Fe 3 Si films Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.172, year: 2007

  3. Fast ion dynamics in ASDEX upgrade and TEXTOR measured by collective Thomson scattering

    Energy Technology Data Exchange (ETDEWEB)

    Moseev, D.

    2011-11-15

    Fast ions are an essential ingredient in burning nuclear fusion plasmas: they are responsible for heating the bulk plasma, carry a significant amount of plasma current and moreover interact with various magnetohydrodynamic (MHD) instabilities. The collective Thomson scattering (CTS) diagnostic is sensitive to the projection of fast ion velocity distribution function. This thesis is mainly devoted to investigations of fast ion physics in tokamak plasmas by means of CTS. (Author)

  4. A study of the dynamics of hydrogen in yttrium using inelastic neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Bennington, S M; Benham, M J; Ross, D K [Birmingham Univ. (UK). School of Physics and Space Research; Taylor, A D; Bowden, Z A [Rutherford Appleton Lab., Chilton (UK)

    1989-01-01

    The results of several high resolution inelastic scattering experiments on {alpha}-phase yttrium-hydrogen are presented including measurements of energy levels up to the fourth and a study of the splitting of certain states due to hydrogen-hydrogen interactions. An attempt is made to model the energy levels by using perturbed simple harmonic oscillator wavefunctions. This can account for most of the major features of the spectrum. (orig.).

  5. Probing the dynamics of complexed local anesthetics via neutron scattering spectroscopy and DFT calculations

    DEFF Research Database (Denmark)

    Longo Martins, Murillo; Eckert, Juergen; Jacobsen, Henrik

    2017-01-01

    Since potential changes in the dynamics and mobility of drugs upon complexation for delivery may affect their ultimate efficacy, we have investigated the dynamics of two local anesthetic molecules, bupivacaine (BVC, C18H28N2O) and ropivacaine (RVC, C17H26N2O), in both their crystalline forms...

  6. Plasticization effect of C60 on the fast dynamics of polystyrene and related polymers: an incoherent neutron scattering study

    International Nuclear Information System (INIS)

    Sanz, Alejandro; Ruppel, Markus; Cabral, Joao T; Douglas, Jack F

    2008-01-01

    We utilize inelastic incoherent neutron scattering (INS) to quantify how fullerenes affect the 'fast' molecular dynamics of a family of polystyrene related macromolecules. In particular, we prepared bulk nanocomposites of (hydrogenous and ring-deuterated) polystyrene and poly(4-methyl styrene) using a rapid precipitation method where the C 60 relative mass fraction ranged from 0% to 4%. Elastic window scan measurements, using a high resolution (0.9 μeV) backscattering spectrometer, are reported over a wide temperature range (2-450 K). Apparent Debye-Waller (DW) factors 2 >, characterizing the mean-square amplitude of proton displacements, are determined as a function of temperature, T. We find that the addition of C 60 to these polymers leads to a progressive increase in 2 > relative to the pure polymer value over the entire temperature range investigated, where the effect is larger for larger nanoparticle concentration. This general trend seems to indicate that the C 60 nanoparticles plasticize the fast (∼10 -15 s) local (∼1 A) dynamics of these polymer glasses. Generally, we expect nanoparticle additives to affect polymer dynamics in a similar fashion to thin films in the sense that the high interfacial area may cause both a speeding up and slowing down of the glass state dynamics depending on the polymer-surface interaction

  7. Dynamics of poly(ethylene oxide) in a blend with poly(methyl methacrylate): A quasielastic neutron scattering and molecular dynamics simulations study

    International Nuclear Information System (INIS)

    Genix, A.-C.; Arbe, A.; Alvarez, F.; Colmenero, J.; Willner, L.; Richter, D.

    2005-01-01

    In this paper, we have addressed the question of the dynamic miscibility in a blend characterized by very different glass-transition temperatures, T g , for the components: poly(ethylene oxide) and poly(methyl methacrylate) (PEO/PMMA). The combination of quasielastic neutron scattering with isotopic labeling and fully atomistic molecular dynamics simulations has allowed us to selectively investigate the dynamics of the two components in the picosecond--10 nanoseconds scale at temperatures close and above the T g of the blend. The main focus was on the PEO component, i.e., that of the lowest T g , but first we have characterized the dynamics of the other component in the blend and of the pure PEO homopolymer as reference. In the region investigated, the dynamics of PMMA in the blend is strongly affected by the α-methyl rotation; an additional process detected in the experimental window 65 K above the blend-T g can be identified as the merged αβ process of this component that shows strong deviations from Gaussian behavior. On the other hand, pure PEO displays entropy driven dynamics up to very large momentum transfers. Such kind of motion seems to freeze when the PEO chains are in the blend. There, we have directly observed a very heterogeneous and moreover confined dynamics for the PEO component. The presence of the hardly moving PMMA matrix leads to the creation of little pockets of mobility where PEO can move. The characteristic size of such confined islands of mobility might be estimated to be of ≅1 nm. These findings are corroborated by the simulation study, which has been an essential support and guide in our data analysis procedure

  8. Dynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theory

    Science.gov (United States)

    Sun, Yan; Kouri, Donald J.; Truhlar, Donald G.; Schwenke, David W.

    1990-01-01

    New basis sets are proposed for linear algebraic variational calculations of transition amplitudes in quantum-mechanical scattering problems. These basis sets are hybrids of those that yield the Kohn variational principle (KVP) and those that yield the generalized Newton variational principle (GNVP) when substituted in Schlessinger's stationary expression for the T operator. Trial calculations show that efficiencies almost as great as that of the GNVP and much greater than the KVP can be obtained, even for basis sets with the majority of the members independent of energy.

  9. A Neutron Scattering Study of Lattice Dynamics of HgTe and HgSe

    DEFF Research Database (Denmark)

    Kepa, H.; Giebultowicz, T.; Buras, B.

    1982-01-01

    The dispersion relations for the acoustic and optic phonons in HgTe and for the acoustic phonons in HgSe were determined by neutron inelastic scattering in three high symmetry directions. The effect of the free-carrier screening of the long-range electric field of LO phonons in HgTe was observed....... The formalism of the rigid ion model is used for numerical calculations of the phonon dispersion relations and the phonon densities of states in HgTe and HgSe....

  10. Dynamics and Structural Details of Amorphous Phases of Ice Determined by Incoherent Inelastic Neutron Scattering

    International Nuclear Information System (INIS)

    Klug, D.D.; Tulk, C.A.; Svensson, E.C.; Loong, C.

    1999-01-01

    Incoherent-inelastic neutron scattering data are obtained over the energy range of lattice and internal vibrations of water molecules in phases of ice prepared by pressure-induced amorphization (high-density amorphous ice, hda), by thermal annealing of hda (low-density amorphous ice, lda), and by rapidly cooling water, as well as in ice Ih and Ic . Hydrogen bonding interactions in lda differ significantly from those in the glass obtained by rapid quenching, which has hydrogen-bond interactions characteristic of highly supercooled water. Hydrogen-bond interactions in hda are weaker than in the low-density phases. copyright 1999 The American Physical Society

  11. A unified treatment of dynamics and scattering in classical and quantum statistical mechanics

    International Nuclear Information System (INIS)

    Prugovecki, E.

    1978-01-01

    The common formal features of classical and quantum statistical mechanics are investigated at three separate levels: at the level of L 2 spaces of wave-packets on GAMMA-space, of Liouville spaces B 2 consisting of density operators constructed from such wave-packets, and of phase-space representation spaces P of GAMMA distribution functions. It is shown that at the last level the formal similarities become so outstanding that all key quantities in P-space, such as Liouville operators, Hamiltonian functions, position and momentum observables, etc., are represented by expressions which to the zeroth order in (h/2π) coincide in the classical and quantum case, and in some instances coincide completely. Scattering theory on the B 2 Liouville spaces takes on the same formal appearance for classical and quantum statistical mechanics, and to the zeroth order in (h/2π) it coincides in both cases. This makes possible the formulation of a classical approximation to quantum scattering, and of a computational scheme for determining rhosup(out) from rhosup(in) for successive order of (h/2π). (Auth.)

  12. Innocent Bystanders: Orbital Dynamics of Exomoons During Planet–Planet Scattering

    Science.gov (United States)

    Hong, Yu-Cian; Raymond, Sean N.; Nicholson, Philip D.; Lunine, Jonathan I.

    2018-01-01

    Planet–planet scattering is the leading mechanism to explain the broad eccentricity distribution of observed giant exoplanets. Here we study the orbital stability of primordial giant planet moons in this scenario. We use N-body simulations including realistic oblateness and evolving spin evolution for the giant planets. We find that the vast majority (∼80%–90% across all our simulations) of orbital parameter space for moons is destabilized. There is a strong radial dependence, as moons past ∼ 0.1 {R}{Hill} are systematically removed. Closer-in moons on Galilean-moon-like orbits (<0.04 R Hill) have a good (∼20%–40%) chance of survival. Destabilized moons may undergo a collision with the star or a planet, be ejected from the system, be captured by another planet, be ejected but still orbiting its free-floating host planet, or survive on heliocentric orbits as “planets.” The survival rate of moons increases with the host planet mass but is independent of the planet’s final (post-scattering) orbits. Based on our simulations, we predict the existence of an abundant galactic population of free-floating (former) moons.

  13. Meson-exchange Hamiltonian for NN scattering and isobar-nucleus dynamics

    International Nuclear Information System (INIS)

    Lee, T.S.H.

    1983-01-01

    We have constructed a meson-exchange Hamiltonian for π, N, Δ and N* for NN scattering up to 2 GeV. The model gives good descriptions of the Arndt phase-shifts up to 1 GeV in both the T = 0 and T = 1 channels. The calculated total cross sections sigma/sup tot/, Δsigma/sub L//sup tot/ and Δsigma/sub T//sup tot/ agree to a large extent with the data in both the magnitudes and the signs. The present calculation gives a sound starting point for future refinements. Among them, a large-scale three-body calculation could be needed to investigate the energy dependence of the effect due to NN interactions in the πNN channel. Until this effect is carefully studied, it is premature to extract information on dibaryon resonances, if they exist, from the data. Our model also gives definite predictions of np scattering. Precise np polarization measurements at higher energy > 0.6 GeV are needed to have a complete test of our model. Finally, the present model Hamiltonian can be used to carry our many-body calculations

  14. Dynamics of supercooled confined water measured by deep inelastic neutron scattering

    Science.gov (United States)

    De Michele, Vincenzo; Romanelli, Giovanni; Cupane, Antonio

    2018-02-01

    In this paper, we present the results of deep inelastic neutron scattering (DINS) measurements on supercooled water confined within the pores (average pore diameter 20 Å) of a disordered hydrophilic silica matrix obtained through hydrolysis and polycondensation of the alkoxide precursor Tetra-Methyl-Ortho-Silicate via the sol-gel method. Experiments were performed at two temperatures (250 K and 210 K, i.e., before and after the putative liquid-liquid transition of supercooled confined water) on a "wet" sample with hydration h 40% w/w, which is high enough to have water-filled pores but low enough to avoid water crystallization. A virtually "dry" sample at h 7% was also investigated to measure the contribution of the silica matrix to the neutron scattering signal. As is well known, DINS measurements allow the determination of the mean kinetic energy and the momentum distribution of the hydrogen atoms in the system and therefore, allow researchers to probe the local structure of supercooled confined water. The main result obtained is that at 210 K the hydrogen mean kinetic energy is equal or even slightly higher than at 250 K. This is at odds with the predictions of a semiempirical harmonic model recently proposed to describe the temperature dependence of the kinetic energy of hydrogen in water. This is a new and very interesting result, which suggests that at 210 K, the water hydrogens experience a stiffer intermolecular potential than at 250 K. This is in agreement with the liquid-liquid transition hypothesis.

  15. Theoretical studies of molecule surface scattering: Rotationally inelastic diffraction and dissociative dynamics of H2 on metals

    International Nuclear Information System (INIS)

    Cruz Pol, A.J.

    1993-01-01

    The interaction of H 2 and its isotopes with metal surfaces has been the subject of many investigations. The scattering experiments provide data such as the final rotational state distribution, sticking coefficients, kinetic energy distribution, and diffraction data. In the first study of this thesis the author implemented a model for looking at the rotationally inelastic diffraction probabilities for H 2 , HD, and D 2 , as a function of surface temperature. The surface is treated in a quantum mechanical fashion using a recently developed formalism. The center of mass translational motion is treated semiclassically using Gaussian wave packets, and the rotations are described quantum mechanically. The phonon summed rotation-diffraction probabilities as well as the probability distribution for a scattering molecule exchanging an amount of energy ΔE with the surface were computed. In the second and third study of this thesis the author implemented a mixed quantum-classical model to compute the probability for dissociation and rotational excitation for H 2 , HD, and D 2 scattered from Ni(100) dimensionally in dynamics simulations. Of the six degrees of freedom for the dissociative adsorption of a diatomic molecule on a static surface, the author treats Z,d the center of mass distance above the surface plan, r, the internuclear separation, θ, the polar orientation angle, quantum mechanically. The remaining three degrees of freedom, X and Y, the center of mass position on the surface plane, and oe, the azimuthal orientation angle, are treated classically. Probabilities for dissociation and ro-vibrational excitation are computed as a function of incident translational energy. Two sudden approximations are tested, in which either the center of mass translation parallel to the surface or the azimuthal orientation of the molecule are frozen. Comparisons are made between low and high dimensionality results and with fully classical results

  16. Contrasting dynamics of fragile and non-fragile polyalcohols through the glass, and dynamical, transitions: A comparison of neutron scattering and dielectric relaxation data for sorbitol and glycerol.

    Science.gov (United States)

    Migliardo, F; Angell, C A; Magazù, S

    2017-01-01

    Glycerol and sorbitol are glass-forming hydrogen-bonded systems characterized by intriguing properties which make these systems very interesting also from the applications point of view. The goal of this work is to relate the hydrogen-bonded features, relaxation dynamics, glass transition properties and fragility of these systems, in particular to seek insight into their very different liquid fragilities. The comparison between glycerol and sorbitol is carried out by collecting the elastic incoherent neutron scattering (EINS) intensity as a function of temperature and of the instrumental energy resolution. Intensity data vs temperature and resolution are analyzed in terms of thermal restraint and Resolution Elastic Neutron Scattering (RENS) approaches. The number of OH groups, which are related to the connecting sites, is a significant parameter both in the glass transition and in the dynamical transition. On the other hand, the disordered nature of sorbitol is confirmed by the existence of different relaxation processes. From the applications point of view, glycerol and sorbitol have remarkable bioprotectant properties which make these systems useful in different technological and industrial fields. Furthermore, polyols are rich in glassforming liquid phenomenology and highly deserving of study in their own right. The comparison of EINS and calorimetric data on glycerol and sorbitol helps provide a connection between structural relaxation, dynamical transition, glass transition, and fragility. The evaluation of the inflection point in the elastic intensity behavior as a function of temperature and instrumental energy resolution provides a confirmation of the validity of the RENS approach. This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazù and Dr. Federica Migliardo. Copyright © 2016. Published by Elsevier B.V.

  17. Dynamics in γ-Fe2O3 nanoparticles studied by time-of-flight polarized neutron scattering

    DEFF Research Database (Denmark)

    Kuhn, L.T.; Lefmann, K.; Klausen, S.N.

    2004-01-01

    The inelastic neutron-scattering signal from magnetic nanoparticles contains information on magnetic dynamics like superparamagnetic relaxation and collective magnetic excitations. Often another, very broad quasi-elastic component is observed in addition. We have studied this quasi-elastic neutron...... signal from 4 nm ferrimagnetic maghemite (gamma-Fe(2)O(3)) particles, and by means of time-of-flight polarised neutron scattering we have identified the source of (most of) this signal to be water adsorbed at the surface of the nanoparticles. A minor part of the signal has its origin in dynamics...

  18. PREFACE: Topics in the application of scattering methods to investigate the structure and dynamics of soft condensed matter

    Science.gov (United States)

    Chen, Sow-Hsin; Baglioni, Piero

    2006-09-01

    This special issue of Journal of Physics: Condensed Matter gathers together a series of contributions presented at the workshop entitled `Topics in the Application of Scattering Methods to Investigate the Structure and Dynamics of Soft Condensed Matter' held at Pensione Bencista, Fiesole, Italy, a wonderful Italian jewel tucked high in the hills above Florence. This immaculate 14th century villa is a feast for the eyes with antiques and original artwork everywhere you turn, and a stunning view of Florence, overlooking numerous villas and groves of olive trees. The meeting consisted of about 40 invited talks delivered by a selected group of prominent physicists and chemists from the USA, Mexico, Europe and Asia working in the fields of complex and glassy liquids. The topics covered by the talks included: simulations on the liquid-liquid transition phenomenon dynamic crossover in deeply supercooled confined water thermodynamics and dynamics of complex fluids dynamics of interfacial water structural arrest transitions in colloidal systems structure and dynamics in complex systems structure of supramolecular assemblies The choice of topics is obviously heavily biased toward the current interests of the two organizers of the workshop, in view of the fact that one of the incentives for organizing the meeting was to celebrate Sow-Hsin Chen’s life-long scientific activities on the occasion of his 70th birthday. The 21 articles presented in this issue are a state-of-the-art description of the different aspects reported at the workshop from all points of view---experimental, theoretical and numerical. The interdisciplinary nature of the talks should make this special issue of interest to a broad community of scientists involved in the study of the properties of complex fluids, soft condensed matter and disordered glassy systems. We are grateful to the Consorzio per lo Sviluppo dei Sistemi a Grande Interfase (CSGI), Florence, Italy and to the Materials Science Program of

  19. Dynamical correlation effects in a weakly correlated material: Inelastic x-ray scattering and photoemission spectra of beryllium

    Science.gov (United States)

    Seidu, Azimatu; Marini, Andrea; Gatti, Matteo

    2018-03-01

    Beryllium is a weakly correlated simple metal. Still we find that dynamical correlation effects, beyond the independent-particle picture, are necessary to successfully interpret the electronic spectra measured by inelastic x-ray scattering (IXS) and photoemission spectroscopies (PES). By combining ab initio time-dependent density-functional theory (TDDFT) and many-body Green's function theory in the G W approximation (G W A ), we calculate the dynamic structure factor, the quasiparticle (QP) properties and PES spectra of bulk Be. We show that band-structure effects (i.e., due to interaction with the crystal potential) and QP lifetimes (LT) are both needed in order to explain the origin of the measured double-peak features in the IXS spectra. A quantitative agreement with experiment is obtained only when LT are supplemented to the adiabatic local-density approximation (ALDA) of TDDFT. Besides the valence band, PES spectra display a satellite, a signature of dynamical correlation due to the coupling of QPs and plasmons, which we are able to reproduce thanks to the combination of the G W A for the self-energy with the cumulant expansion of the Green's function.

  20. Hydrogen dynamics in the low temperature phase of LiBH{sub 4} probed by quasielastic neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Remhof, Arndt, E-mail: arndt.remhof@empa.ch [Empa, Swiss Federal Institute for Materials Science and Technology, Hydrogen and Energy, CH-8600 Dübendorf (Switzerland); Züttel, Andreas [Empa, Swiss Federal Institute for Materials Science and Technology, Hydrogen and Energy, CH-8600 Dübendorf (Switzerland); Ramirez-Cuesta, Timmy; García-Sakai, Victoria [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX (United Kingdom); Frick, Bernhard [Institut Laue-Langevin, F-38002 Grenoble (France)

    2013-12-12

    Highlights: • Inelastic fixed window sans offer new possibilities in neutron backscattering spectrometers. • Two different kind of reorientational motion were identified in the low temperature phase of LiBH{sub 4}. • Thermally activated jump rotation. - Abstract: LiBH{sub 4} contains 18.5 wt% hydrogen and undergoes a structural phase transition (orthorhombic → hexagonal) at 381 K which is associated with a large increase in hydrogen and lithium solid-state mobility. We investigated the hydrogen dynamics in the low temperature phase of LiBH{sub 4} by quasielastic neutron scattering, including a new kind of inelastic fixed window scan (IFWS). In the temperature range from 175 to 380 K the H-dynamics is dominated by thermally activated rotational jumps of the [BH{sub 4}]{sup −} anion around the c3 axis with an activation energy of about 162 meV. In agreement with earlier NMR data, a second type of thermally activated motion with an activation energy of about 232 meV could be identified using the IFWS. The present study of hydrogen dynamics in LiBH{sub 4} illustrates the feasibility of using IFWS on neutron backscattering spectrometers as a probe of localised motion.

  1. “SmartGlass” Obstacles for Dynamic Inducing of Light Scattering in Vision Research Experiments

    Directory of Open Access Journals (Sweden)

    Olga DANILENKO

    2016-11-01

    Full Text Available We describe a technique that allows control of visual stimuli quality through the use of a setup with a polymer dispersed liquid crystal (PDLC film positioned in the optical pathway of one or both human eyes. Nowadays, PDLC films allow alteration of the resolution and contrast limits of the transmitted light due to continuous change in the light scattering that is obtained by the application of an AC electrical field. In our experimental setup, the use of a wide-aperture up to area of 20 x 15 cm2 PDLC sheet is combined with a flat-screen PC display or with a modified display emission block without its interference filter unit and with an installed individually controllable colored light-emitting diode (LED backlight. In the latter case, the spatial structure of visual stimulus remains constant, but the PDLC switching-on timing for intensity, color, and contrast of visual stimuli control is done by a PC via an Arduino USB interface. Arduino applies a voltage to the backlight colored LEDs and the low voltage up to 30 – 80 V to light-scattering PDLC sheet. Modifications to this setup can improve the resolution of the timing and screen stimulus intensity and color purity, and increase the flexibility of its application in visual research tasks. A particular use of PDLC scattering sheets involves the altering of the stimuli input strength of the eye in different binocular viewing schemes. In such applications, a restricted-optical-aperture PDLC element is mounted in a goggle frame, and the element is controlled by the application of low-voltage AC field. The efficacy of the setup is demonstrated in experiments of human vision contrast sensitivity adaptation studies. Studies allow to determine the characteristic time of the contrast sensitivity altering of 4 s during adaptation phase and the same order of the characteristic time during recovery.DOI: http://dx.doi.org/10.5755/j01.ms.22.4.12907

  2. Mapping momentum-dependent electron-phonon coupling and nonequilibrium phonon dynamics with ultrafast electron diffuse scattering

    Science.gov (United States)

    Stern, Mark J.; René de Cotret, Laurent P.; Otto, Martin R.; Chatelain, Robert P.; Boisvert, Jean-Philippe; Sutton, Mark; Siwick, Bradley J.

    2018-04-01

    Despite their fundamental role in determining material properties, detailed momentum-dependent information on the strength of electron-phonon and phonon-phonon coupling (EPC and PPC, respectively) across the entire Brillouin zone has remained elusive. Here we demonstrate that ultrafast electron diffuse scattering (UEDS) directly provides such information. By exploiting symmetry-based selection rules and time resolution, scattering from different phonon branches can be distinguished even without energy resolution. Using graphite as a model system, we show that UEDS patterns map the relative EPC and PPC strength through their profound sensitivity to photoinduced changes in phonon populations. We measure strong EPC to the K -point TO phonon of A1' symmetry (K -A1' ) and along the entire TO branch between Γ -K , not only to the Γ -E2 g phonon. We also determine that the subsequent phonon relaxation of these strongly coupled optical phonons involve three stages: decay via several identifiable channels to TA and LA phonons (1 -2 ps), intraband thermalization of the non-equilibrium TA/LA phonon populations (30 -40 ps) and interband relaxation of the TA/LA modes (115 ps). Combining UEDS with ultrafast angle-resolved photoelectron spectroscopy will yield a complete picture of the dynamics within and between electron and phonon subsystems, helping to unravel complex phases in which the intertwined nature of these systems has a strong influence on emergent properties.

  3. Electron Dynamics in the Core-Excited CS_{2} Molecule Revealed through Resonant Inelastic X-Ray Scattering Spectroscopy

    Directory of Open Access Journals (Sweden)

    T. Marchenko

    2015-08-01

    Full Text Available We present an experimental and theoretical study of resonant inelastic x-ray scattering (RIXS in the carbon disulphide CS_{2} molecule near the sulfur K-absorption edge. We observe a strong evolution of the RIXS spectral profile with the excitation energy tuned below the lowest unoccupied molecular orbital (LUMO absorption resonance. The reason for this is twofold. Reducing the photon energy in the vicinity of the LUMO absorption resonance leads to a relative suppression of the LUMO contribution with respect to the emission signal from the higher unoccupied molecular orbitals, which results in the modulation of the total RIXS profile. At even larger negative photon-energy detuning from the resonance, the excitation-energy dependence of the RIXS profile is dominated by the onset of electron dynamics triggered by a coherent excitation of multiple electronic states. Furthermore, our study demonstrates that in the hard x-ray regime, localization of the S 1s core hole occurs in CS_{2} during the RIXS process because of the orientational dephasing of interference between the waves scattering on the two sulfur atoms. Core-hole localization leads to violation of the symmetry selection rules for the electron transitions observed in the spectra.

  4. Dynamic light scattering and X-ray photoelectron spectroscopy characterization of PEGylated polymer nanocarriers: internal structure and surface properties.

    Science.gov (United States)

    Celasco, Edvige; Valente, Ilaria; Marchisio, Daniele L; Barresi, Antonello A

    2014-07-22

    In this work, nanospheres and nanocapsules are precipitated in confined impinging jet mixers through solvent displacement and characterized. Acetone and water are used as the solvent and antisolvent, respectively, together with polymethoxypolyethylene glycol cyanoacrylate-co-hexadecylcyanoacrylate and Miglyol as the copolymer and oil, respectively. Characterization is performed with dynamic light scattering, with electrophoretic measurements, and for the first time with X-ray photoelectron spectroscopy. Results show that the presence of polyethylene glycol chains seems to be more pronounced on the surface of nanospheres than on that of nanocapsules. The thickness of the copolymer layer in nanocapsules ranges from 1 to 10 nm, depending on the value of the oil:copolymer mass ratio. Fast dilution is confirmed to have a positive effect in suppressing aggregation but can induce further copolymer precipitation.

  5. Lattice Dynamics of Magnesium Stannide and Zinc Blende. An experimental study by means of inelastic neutron scattering. RCN Report

    International Nuclear Information System (INIS)

    Bergsma, J.

    1970-06-01

    Phonon dispersion relations in Mg 2 Sn and ZnS along the directions [001] , [110] and [111] are presented. Inelastic neutron scattering experiments were carried out by means of a triple-axis crystal spectrometer; for some optic branches the inverse beryllium-filter method was applied. A graphical method of focusing and calculations of inelastic structure factors were helpful in designing experiments. Group theory was employed for the block diagonalization of the dynamical matrices and the determination of eigenvectors. The dispersion relations are described by simple shell models allowing polarization of only one of the ions in each crystal. Zinc blende was found to be mainly covalent and magnesium stannide has an appreciable ionicity. (author)

  6. Size-dependent magnetization dynamics in individual Ni80Fe20 disk using micro-focused Brillouin Light Scattering spectroscopy

    Directory of Open Access Journals (Sweden)

    G. Shimon

    2015-09-01

    Full Text Available A direct and systematic investigation of the magnetization dynamics in individual circular Ni80Fe20 disk of diameter (D in the range from 300 nm to 1 μm measured using micro-focused Brillouin Light Scattering (μ-BLS spectroscopy is presented. At high field, when the disks are in a single domain state, the resonance frequency of the uniform center mode is observed to reduce with reducing disk’s diameter. For D = 300 nm, additional edge and end-domains resonant modes are observed due to size effects. At low field, when the disks are in a vortex state, a systematic increase of resonant frequency of magnetostatic modes in a vortex state with the square root of the disks’ aspect ratio (thickness divided by radius is observed. Such dependence diminishes for disks with larger aspect ratio due to an increasing exchange energy contribution. Micromagnetic simulations are in excellent agreement with the experiments.

  7. Dynamic high pressure induced strong and weak hydrogen bonds enhanced by pre-resonance stimulated Raman scattering in liquid water.

    Science.gov (United States)

    Wang, Shenghan; Fang, Wenhui; Li, Fabing; Gong, Nan; Li, Zhanlong; Li, Zuowei; Sun, Chenglin; Men, Zhiwei

    2017-12-11

    355 nm pulsed laser is employed to excite pre-resonance forward stimulated Raman scattering (FSRS) of liquid water at ambient temperature. Due to the shockwave induced dynamic high pressure, the obtained Raman spectra begin to exhibit double peaks distribution at 3318 and 3373 cm -1 with the input energy of 17 mJ,which correspond with OH stretching vibration with strong and weak hydrogen (H) bonds. With laser energy rising from 17 to 27 mJ, the Stokes line at 3318 cm -1 shifts to 3255 and 3230 cm -1 because of the high pressure being enlarged. When the energy is up to 32 mJ, only 3373 cm -1 peak exists. The strong and weak H bond exhibit quite different energy dependent behaviors.

  8. Sintering, structure, and mechanical properties of nanophase SiC: A molecular-dynamics and neutron scattering study

    International Nuclear Information System (INIS)

    Chatterjee, Alok; Kalia, Rajiv K.; Nakano, Aiichiro; Omeltchenko, Andrey; Tsuruta, Kenji; Vashishta, Priya; Loong, Chun-Keung; Winterer, Markus; Klein, Sylke

    2000-01-01

    Structure, mechanical properties, and sintering of nanostructured SiC (n-SiC) are investigated with neutron scattering and molecular-dynamics (MD) techniques. Both MD and the experiment indicate the onset of sintering around 1500 K. During sintering, the pores shrink while maintaining their morphology: the fractal dimension is ∼2 and the surface roughness exponent is ∼0.45. Structural analyses reveal that interfacial regions in n-SiC are disordered with nearly the same number of three- and fourfold coordinated Si atoms. The elastic moduli scale with the density as ∼ρ μ , where μ=3.4±0.1. (c) 2000 American Institute of Physics

  9. Measurement of shear-induced diffusion of red blood cells using dynamic light scattering-optical coherence tomography

    Science.gov (United States)

    Tang, Jianbo; Erdener, Sefik Evren; Li, Baoqiang; Fu, Buyin; Sakadzic, Sava; Carp, Stefan A.; Lee, Jonghwan; Boas, David A.

    2018-02-01

    Dynamic Light Scattering-Optical Coherence Tomography (DLS-OCT) takes the advantages of using DLS to measure particle flow and diffusion within an OCT resolution-constrained 3D volume, enabling the simultaneous measurements of absolute RBC velocity and diffusion coefficient with high spatial resolution. In this work, we applied DLS-OCT to measure both RBC velocity and the shear-induced diffusion coefficient within penetrating venules of the somatosensory cortex of anesthetized mice. Blood flow laminar profile measurements indicate a blunted laminar flow profile, and the degree of blunting decreases with increasing vessel diameter. The measured shear-induced diffusion coefficient was proportional to the flow shear rate with a magnitude of 0.1 to 0.5 × 10-6 mm2 . These results provide important experimental support for the recent theoretical explanation for why DCS is dominantly sensitive to RBC diffusive motion.

  10. HOME COUNTRY MACROECONOMIC DETERMINANTS OF OUTWARD FDI: THE CASE OF ROMANIA

    Directory of Open Access Journals (Sweden)

    Mariana Sehleanu

    2016-12-01

    Full Text Available The 90s marked the remarcable increase of foreign direct investment (FDI flows globally. Thus, global FDI outflows increased from 244 billion dollars in 1990 to 1,35 trillion dollars in 2014, with a peak record of 2,13 trillion dollars in 2007, according to UNCTAD statistics. In Romania, the value of outward FDI stock increased from 66,1 million dollars in 1990 and reached a peak in 2010, when total outward FDI stock cumulated 1510,7 million dollars. As the global economic and financial crisis has led to the unfavorable evolution of the Romanian economy, the business opportunities and the investment resources of Romanian companies have decreased significantly. Since 2011 the value of outward FDI stock entered a downtrend that was maintained until 2014, when outward FDI stock cumulated 695,7 million dollars. As a percentage of GDP, Romania’s outward FDI stock recorded only sub-unit values from 1990 to present. The aim of this empirical research is to analyze the influence of several macroeconomic factors on outward FDI from Romania, during 1991-2014. Using simple regression models, the empirical study reveals that factors such as interest rate, inflation rate, money supply, exchange rate and gross domestic product (GDP have an important role in explaining outward FDI from Romania, while the influence of trade openness is weak. Between the outward FDI stock and money supply, exchange rate, gross domestic product, respectively trade openness, there is a direct and linear correlation and between the outward foreign direct investment stock and the interest rate, respectively the inflation rate, there is an inverse linear correlation. The results obtained from our empirical study emphasize that the evolution of macroeconomic factors in Romania, as a home country, represents an important stimulus for Romanian companies to invest abroad. The presence of Romanian companies on the international market was very limited and that is why an increase of the

  11. Stimulated Raman scattering and ion dynamics: the role of Langmuir wave non-linearities

    International Nuclear Information System (INIS)

    Bonnaud, G.; Pesme, D.

    1987-01-01

    The saturation of the Stimulated Raman Scattering (SRS) is studied by means of wave-coupling numerical simulations. A new code (CHEOPS) has been designed in order to model these couplings, in real 1-D space, with aperiodic boundary conditions. Each wave can be represented either by a complete amplitude or by an envelope amplitude only. The choice of the wave set to be coupled allows to investigate separately some mechanisms relevant in long time SRS evolution. The various mechanisms which may inhibit SRS growth are reviewed and the SRS saturation scenarios are exhibited in an homogeneous density plasma slab. The ion dependent mechanisms appear to be the most efficient ones to saturate SRS. Their importance is strongly bound to the electron temperature and to the ion fluctuation level at time when SRS has already grown many e-foldings

  12. The electron-furfural scattering dynamics for 63 energetically open electronic states

    International Nuclear Information System (INIS)

    Costa, Romarly F. da; Varella, Márcio T. do N; Bettega, Márcio H. F.; Neves, Rafael F. C.; Lopes, Maria Cristina A.; Blanco, Francisco; García, Gustavo; Jones, Darryl B.

    2016-01-01

    We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C 5 H 4 O 2 ). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (N open ) at either the static-exchange (N open  ch-SE) or the static-exchange-plus-polarisation (N open  ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.

  13. The electron-furfural scattering dynamics for 63 energetically open electronic states

    Science.gov (United States)

    da Costa, Romarly F.; do N. Varella, Márcio T.; Bettega, Márcio H. F.; Neves, Rafael F. C.; Lopes, Maria Cristina A.; Blanco, Francisco; García, Gustavo; Jones, Darryl B.; Brunger, Michael J.; Lima, Marco A. P.

    2016-03-01

    We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C5H4O2). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (Nopen) at either the static-exchange (Nopen ch-SE) or the static-exchange-plus-polarisation (Nopen ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.

  14. The electron-furfural scattering dynamics for 63 energetically open electronic states

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Romarly F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, São Paulo 13083-859 (Brazil); Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, São Paulo 09210-580 (Brazil); Varella, Márcio T. do N [Instituto de Física, Universidade de São Paulo, CP 66318, São Paulo, São Paulo 05315-970 (Brazil); Bettega, Márcio H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, Curitiba, Paraná 81531-990 (Brazil); Neves, Rafael F. C. [Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG 36036-900 (Brazil); Lopes, Maria Cristina A. [Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG 36036-900 (Brazil); Blanco, Francisco [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040 (Spain); García, Gustavo [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Jones, Darryl B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); and others

    2016-03-28

    We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C{sub 5}H{sub 4}O{sub 2}). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (N{sub open}) at either the static-exchange (N{sub open} ch-SE) or the static-exchange-plus-polarisation (N{sub open} ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.

  15. Pharmacological Conversion of a Cardiac Inward Rectifier into an Outward Rectifier Potassium Channel.

    Science.gov (United States)

    Moreno-Galindo, Eloy G; Sanchez-Chapula, Jose A; Tristani-Firouzi, Martin; Navarro-Polanco, Ricardo A

    2016-09-01

    Potassium (K(+)) channels are crucial for determining the shape, duration, and frequency of action-potential firing in excitable cells. Broadly speaking, K(+) channels can be classified based on whether their macroscopic current outwardly or inwardly rectifies, whereby rectification refers to a change in conductance with voltage. Outwardly rectifying K(+) channels conduct greater current at depolarized membrane potentials, whereas inward rectifier channels conduct greater current at hyperpolarized membrane potentials. Under most circumstances, outward currents through inwardly rectifying K(+) channels are reduced at more depolarized potentials. However, the acetylcholine-gated K(+) channel (KACh) conducts current that inwardly rectifies when activated by some ligands (such as acetylcholine), and yet conducts current that outwardly rectifies when activated by other ligands (for example, pilocarpine and choline). The perplexing and paradoxical behavior of KACh channels is due to the intrinsic voltage sensitivity of the receptor that activates KACh channels, the M2 muscarinic receptor (M2R). Emerging evidence reveals that the affinity of M2R for distinct ligands varies in a voltage-dependent and ligand-specific manner. These intrinsic receptor properties determine whether current conducted by KACh channels inwardly or outwardly rectifies. This review summarizes the most recent concepts regarding the intrinsic voltage sensitivity of muscarinic receptors and the consequences of this intriguing behavior on cardiac physiology and pharmacology of KACh channels. Copyright © 2016 by The American Society for Pharmacology and Experimental Therapeutics.

  16. Levitation effect in zeolites: Quasielastic neutron scattering and molecular dynamics study of pentane isomers in zeolite NaY.

    Science.gov (United States)

    Borah, Bhaskar J; Jobic, H; Yashonath, S

    2010-04-14

    We report the quasielastic neutron scattering (QENS) and molecular dynamics (MD) investigations into diffusion of pentane isomers in zeolite NaY. The molecular cross section perpendicular to the long molecular axis varies for the three isomers while the mass and the isomer-zeolite interaction remains essentially unchanged. Both QENS and MD results show that the branched isomers neopentane and isopentane have higher self-diffusivities as compared with n-pentane at 300 K in NaY zeolite. This result provides direct experimental evidence for the existence of nonmonotonic, anomalous dependence of self-diffusivity on molecular diameter known as the levitation effect. The energetic barrier at the bottleneck derived from MD simulations exists for n-pentane which lies in the linear regime while no such barrier is seen for neopentane which is located clearly in the anomalous regime. Activation energy is in the order E(a)(n-pentane)>E(a)(isopentane)>E(a)(neopentane) consistent with the predictions of the levitation effect. In the liquid phase, it is seen that D(n-pentane)>D(isopentane)>D(neopentane) and E(a)(n-pentane)scattering function for small wavenumbers obtained from MD follows a single exponential decay for neopentane and isopentane. For n-pentane, a single exponential fit provides a poor fit especially at short times. Cage residence time is largest for n-pentane and lowest for neopentane. For neopentane, the width of the self-part of the dynamic structure factor shows a near monotonic decrease with wavenumber. For n-pentane a minimum is seen near k=0.5 A(-1) suggesting a slowing down of motion around the 12-ring window, the bottleneck for diffusion. Finally, the result that the branched isomer has a higher diffusivity as compared with the linear analog is at variation from what is normally seen.

  17. Dynamics of the α-relaxation in glass-forming polymers. Study by neutron scattering and relaxation techniques

    Science.gov (United States)

    Colmenero, J.

    1993-12-01

    The dynamics of the α-relaxation in three different polymeric systems, poly(vinyl methyl ether) (PVME), poly(vinyl chloride) (PVC) and poly(bisphenol A, 2-hydroxypropylether) (PH) has been studied by means of relaxation techniques and quasielastic neutron scattering (backscattering spectrometers IN10 and IN13 at the ILL-Grenoble). By using these techniques we have covered a wide time scale ranging from mesoscopic to macroscopic times (10 -10 -10 1 s). For analyzing the experimental data we have developed a phenomenological procedure in the frequency domain based on the Havriliak-Negami relaxation function, which in fact implies a Kohlrausch-Williams-Watts relaxation function in the time domain. The results obtained indicate that the dynamics of the α-relaxation in a wide time scale shows a clear non-Debye behaviour. The shape of the relaxation functions is found to be similar for the different techniques used and independent of temperature and momentum transfer ( Q). Moreover, the characteristic relaxation times deduced from the fitting of the experimental data can also be described using only one Vogel-Fulcher functional form. Besides we found that the Q-dependence of the relaxation times obtained by QENS is given by a power law, τ( Q) ∞ Q- n ( n>2), n being dependent on the system, and that the Q-behaviour and the non-Debye behaviour are directly correlated. In the case of PVC, time of flight (TOF) neutron scattering experiments confirm these results in a shorter time scale (2×10 -11 -2× 10 -12 s). Moreover, TOF results also suggest the possibility of interpreting the “fast process” usually detected in glass-forming systems as a Debye-like short regime of the α-relaxation.

  18. Sodium recognition by the Na+/Ca2+ exchanger in the outward-facing conformation.

    Science.gov (United States)

    Marinelli, Fabrizio; Almagor, Lior; Hiller, Reuben; Giladi, Moshe; Khananshvili, Daniel; Faraldo-Gómez, José D

    2014-12-16

    Na(+)/Ca(2+) exchangers (NCXs) are ubiquitous membrane transporters with a key role in Ca(2+) homeostasis and signaling. NCXs mediate the bidirectional translocation of either Na(+) or Ca(2+), and thus can catalyze uphill Ca(2+) transport driven by a Na(+) gradient, or vice versa. In a major breakthrough, a prokaryotic NCX homolog (NCX_Mj) was recently isolated and its crystal structure determined at atomic resolution. The structure revealed an intriguing architecture consisting of two inverted-topology repeats, each comprising five transmembrane helices. These repeats adopt asymmetric conformations, yielding an outward-facing occluded state. The crystal structure also revealed four putative ion-binding sites, but the occupancy and specificity thereof could not be conclusively established. Here, we use molecular-dynamics simulations and free-energy calculations to identify the ion configuration that best corresponds to the crystallographic data and that is also thermodynamically optimal. In this most probable configuration, three Na(+) ions occupy the so-called Sext, SCa, and Sint sites, whereas the Smid site is occupied by one water molecule and one H(+), which protonates an adjacent aspartate side chain (D240). Experimental measurements of Na(+)/Ca(2+) and Ca(2+)/Ca(2+) exchange by wild-type and mutagenized NCX_Mj confirm that transport of both Na(+) and Ca(2+) requires protonation of D240, and that this side chain does not coordinate either ion at Smid. These results imply that the ion exchange stoichiometry of NCX_Mj is 3:1 and that translocation of Na(+) across the membrane is electrogenic, whereas transport of Ca(2+) is not. Altogether, these findings provide the basis for further experimental and computational studies of the conformational mechanism of this exchanger.

  19. Dynamic Conformations of Nucleosome Arrays in Solution from Small-Angle X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Howell, Steven C. [George Washington Univ., Washington, DC (United States)

    2016-01-31

    We set out to determine quantitative information regarding the dynamic conformation of nucleosome arrays in solution using experimental SAXS. Toward this end, we developed a CG simulation algorithm for dsDNA which rapidly generates ensembles of structures through Metropolis MC sampling of a Markov chain.

  20. Mapping 180° polar domains using electron backscatter diffraction and dynamical scattering simulations

    Energy Technology Data Exchange (ETDEWEB)

    Burch, Matthew J.; Fancher, Chris M.; Patala, Srikanth [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC (United States); De Graef, Marc [Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburg, PA (United States); Dickey, Elizabeth C. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC (United States)

    2017-02-15

    A novel technique, which directly and nondestructively maps polar domains using electron backscatter diffraction (EBSD) is described and demonstrated. Through dynamical diffraction simulations and quantitative comparison to experimental EBSD patterns, the absolute orientation of a non-centrosymmetric crystal can be determined. With this information, the polar domains of a material can be mapped. The technique is demonstrated by mapping the non-ferroelastic, or 180°, ferroelectric domains in periodically poled LiNbO{sub 3} single crystals. Further, the authors demonstrate the possibility of mapping polarity using this technique in other polar materials system. - Highlights: • A novel technique to directly polar domains utilizing EBSD is demonstrated. • The technique relies on dynamical diffraction simulations of EBSD patterns. • The technique is demonstrated by mapping 180° domains in LiNbO{sub 3} single crystals. • Further application of this technique to other materials classes is discussed.

  1. Inelastic neutron scattering and lattice dynamics of GaPO4

    International Nuclear Information System (INIS)

    Mittal, R.; Chaplot, S.L.; Kolesnikov, A.I.; Loong, C.K.; Jayakumar, O.D.; Kulshreshtha, S.K.

    2004-01-01

    We report here measurements of phonon spectrum and lattice dynamical calculations for GaPO 4 . The measurements in low-cristobalite phase of GaPO 4 are carried out using high-resolution medium-energy chopper spectrometer at ANL, USA in the energy transfer range 0-160 MeV. Semiempirical interatomic potential in GaPO 4 , previously determined using ab-initio calculations have been widely used in studying the phase transitions among various polymorphs. The calculated phonon spectrum using the available potential show fair agreement with the experimental data. However, the agreement between the two is improved by including the polarisability of the oxygen atoms in the framework of the shell model. The lattice dynamical models are also exploited for calculations of various thermodynamic properties of GaPO 4 . (author)

  2. Study of simple super-critical fluids (CO2, C2D6) through neutron scattering, Raman spectroscopy and molecular dynamic simulations

    International Nuclear Information System (INIS)

    Longelin, St.

    2004-04-01

    Super-critical fluids are largely used in industrial sectors. However the knowledge of the physical phenomena in which they are involved stays insufficient because of their particular properties. A new model of adjusting molecular structures is proposed, this model has been validated through neutron scattering experiments with high momentum transfer on C 2 D 6 . The experimental representation of the critical universal function for C 2 D 6 and CO 2 has been obtained through the neutron echo spin and by relying on structure measurements made through neutron elastic scattering at small angles. Raman spectroscopy and molecular dynamics simulation have been used to feature structure and dynamics. Scattering as well as microscopic molecular density fluctuations have been analysed

  3. Vibrational dynamics of amorphous metals by inelastic neutron and raman scattering

    International Nuclear Information System (INIS)

    Lustig, N.E.

    1986-01-01

    Time-of-flight inelastic neutron scattering and Raman measurements were performed on amorphous (a-) metals. The neutron-weighted vibrational density of states, G(E), obtained for a-Fe 78 P 22 , a-Ni 82 B 18 and a-Ni 67 B 33 transition metal metalloid alloys (TM-m), indicated two major vibrational bands: a low frequency acoustic-like band and a high frequency optic-like band, derived from TM-TM and TM-m interactions, respectively. Similar neutron measurements were performed on the corresponding polycrystalline (c-) alloys, c-Fe 3 P and c-Ni 2 B. A comparison of the amorphous and crystalline densities of states indicates the elimination of sharp features and the addition of vibrational states at low and high frequencies upon amorphization. The experimental G(E) results for a-Fe 78 P 22 are in good agreement with the theoretically predicted spectrum. A comparison between the a-Ni 67 B 33 and the phenomenologically broadened c-Ni 2 B spectrum indicates a change in the short-range order. This finding is consistent with structural measurements on this alloy. Raman measurements were carried out using interference enhanced Raman spectroscopy (IERS) on thin film Ni-B alloys. The measured spectra provide information about the weighted phonon density of states, and is in good agreement with the neutron results

  4. Applications of Sharp Interface Method for Flow Dynamics, Scattering and Control Problems

    Science.gov (United States)

    2012-07-30

    Reynolds number, Advances in Applied Mathematics and Mechanics, to appear. 17. K. Ito and K. Kunisch, Optimal Control of Parabolic Variational ...provides more precise and detailed sensitivity of the solution and describes the dynamical change due to the variation in the Reynolds number. The immersed... Inequalities , Journal de Math. Pures et Appl, 93 (2010), no. 4, 329-360. 18. K. Ito and K. Kunisch, Semi-smooth Newton Methods for Time-Optimal Control for a

  5. Outward transport of high-temperature materials around the midplane of the solar nebula.

    Science.gov (United States)

    Ciesla, Fred J

    2007-10-26

    The Stardust samples collected from Comet 81P/Wild 2 indicate that large-scale mixing occurred in the solar nebula, carrying materials from the hot inner regions to cooler environments far from the Sun. Similar transport has been inferred from telescopic observations of protoplanetary disks around young stars. Models for protoplanetary disks, however, have difficulty explaining the observed levels of transport. Here I report the results of a new two-dimensional model that shows that outward transport of high-temperature materials in protoplanetary disks is a natural outcome of disk formation and evolution. This outward transport occurs around the midplane of the disk.

  6. Direct measurements of multi-photon induced nonlinear lattice dynamics in semiconductors via time-resolved x-ray scattering.

    Science.gov (United States)

    Williams, G Jackson; Lee, Sooheyong; Walko, Donald A; Watson, Michael A; Jo, Wonhuyk; Lee, Dong Ryeol; Landahl, Eric C

    2016-12-22

    Nonlinear optical phenomena in semiconductors present several fundamental problems in modern optics that are of great importance for the development of optoelectronic devices. In particular, the details of photo-induced lattice dynamics at early time-scales prior to carrier recombination remain poorly understood. We demonstrate the first integrated measurements of both optical and structural, material-dependent quantities while also inferring the bulk impulsive strain profile by using high spatial-resolution time-resolved x-ray scattering (TRXS) on bulk crystalline gallium arsenide. Our findings reveal distinctive laser-fluence dependent crystal lattice responses, which are not described by previous TRXS experiments or models. The initial linear expansion of the crystal upon laser excitation stagnates at a laser fluence corresponding to the saturation of the free carrier density before resuming expansion in a third regime at higher fluences where two-photon absorption becomes dominant. Our interpretations of the lattice dynamics as nonlinear optical effects are confirmed by numerical simulations and by additional measurements in an n-type semiconductor that allows higher-order nonlinear optical processes to be directly observed as modulations of x-ray diffraction lineshapes.

  7. Shear-induced diffusion of red blood cells measured with dynamic light scattering-optical coherence tomography.

    Science.gov (United States)

    Tang, Jianbo; Erdener, Sefik Evren; Li, Baoqiang; Fu, Buyin; Sakadzic, Sava; Carp, Stefan A; Lee, Jonghwan; Boas, David A

    2018-02-01

    Quantitative measurements of intravascular microscopic dynamics, such as absolute blood flow velocity, shear stress and the diffusion coefficient of red blood cells (RBCs), are fundamental in understanding the blood flow behavior within the microcirculation, and for understanding why diffuse correlation spectroscopy (DCS) measurements of blood flow are dominantly sensitive to the diffusive motion of RBCs. Dynamic light scattering-optical coherence tomography (DLS-OCT) takes the advantages of using DLS to measure particle flow and diffusion within an OCT resolution-constrained three-dimensional volume, enabling the simultaneous measurements of absolute RBC velocity and diffusion coefficient with high spatial resolution. In this work, we applied DLS-OCT to measure both RBC velocity and the shear-induced diffusion coefficient within penetrating venules of the somatosensory cortex of anesthetized mice. Blood flow laminar profile measurements indicate a blunted laminar flow profile and the degree of blunting decreases with increasing vessel diameter. The measured shear-induced diffusion coefficient was proportional to the flow shear rate with a magnitude of ~0.1 to 0.5 × 10 -6  mm 2 . These results provide important experimental support for the recent theoretical explanation for why DCS is dominantly sensitive to RBC diffusive motion. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. The Low-Temperature Inflection Observed in Neutron Scattering Measurements of Proteins Is Due to Methyl Rotation : Direct Evidence Using Isotope Labeling and Molecular Dynamics Simulations

    NARCIS (Netherlands)

    Wood, Kathleen; Tobias, Douglas J.; Kessler, Brigitte; Gabel, Frank; Oesterhelt, Dieter; Mulder, Frans A. A.; Zaccai, Giuseppe; Weik, Martin

    2010-01-01

    There is increasing interest in the contribution of methyl groups to the overall dynamics measured by neutron scattering experiments of proteins. In particular an inflection observed in atomic mean square displacements measured as a function of temperature on high resolution spectrometers (similar

  9. Path-length-resolved measurements of multiple scattered photons in static and dynamic turbid media using phase-modulated low-coherence interferometry

    NARCIS (Netherlands)

    Varghese, Babu; Rajan, Vinayakrishnan; van Leeuwen, Ton G.; Steenbergen, Wiendelt

    2007-01-01

    In optical Doppler measurements, the path length of the light is unknown. To facilitate quantitative measurements, we develop a phase-modulated Mach-Zehnder interferometer with separate fibers for illumination and detection. With this setup, path-length-resolved dynamic light scattering measurements

  10. Dynamic light scattering study on phase separation of a protein-water mixture: Application on cold cataract development in the ocular lens

    Science.gov (United States)

    Petta, V.; Pharmakakis, N.; Papatheodorou, G. N.; Yannopoulos, S. N.

    2008-06-01

    We present a detailed dynamic light scattering study of the phase separation in the ocular lens emerging during cold cataract development. Cold cataract is a phase separation effect that proceeds via spinodal decomposition of the lens cytoplasm with cooling. The intensity autocorrelation functions of the lens protein content are analyzed with the aid of two methods, providing information on the populations and dynamics of the scattering elements associated with cold cataract. It is found that the temperature dependence of many measurable parameters changes appreciably at the characteristic temperature ˜16±1°C which is associated with the onset of cold cataract. By extending the temperature range of this work to previously inaccessible regimes, i.e., well below the phase separation or coexistence curve at Tcc , we have been able to accurately determine the temperature dependence of the collective and self-diffusion coefficients of proteins near the spinodal. The analysis showed that the dynamics of proteins bears some resemblance to the dynamics of structural glasses, where the apparent activation energy for particle diffusion increases below Tcc , indicating a highly cooperative motion. Application of ideas developed for studying the critical dynamics of binary protein-solvent mixtures, as well as the use of a modified Arrhenius equation, enabled us to estimate the spinodal temperature Tsp of the lens nucleus. The applicability of dynamic light scattering as a noninvasive, early-diagnostic tool for ocular diseases is also demonstrated in light of the findings of the present paper.

  11. Neutron scattering study of dynamical properties of liquid helium confined into porous media

    International Nuclear Information System (INIS)

    Albergamo, Francesco

    2001-01-01

    The study of liquid helium confined into porous materials should allow for a better understanding of the relation between superfluidity and Bose-Einstein condensation, lacking, at present, o f a satisfactory theoretical description. Experiments on confined liquid helium are quite difficult and samples should be prepared very carefully. One should know at best the confining material characteristics and should control the actual filling status of the porous sample. To achieve this condition, we added an experimental stage to the procedure commonly used in the studies conducted insofar. We conducted helium adsorption isotherms on each porous sample supposed to be used a s a confining sample. In this way we were able to know, with an high degree of precision, the amount of helium necessary to fill the porous sample. We also get information on macroscopic phenomena occurring during the filling procedure. Some experimental tricks have been used in order to avoid condensation of liquid helium into the injection capillary. Two inelastic neutron scattering techniques have been used in order to get information respectively on the mean kinetic energy per particle and on the elementary excitations spectrum. The kinetic energy measurements showed that confinement is responsible for a rise in this quantity. The elementary excitations measurements showed a correspondence between the capillary condensation process (detected by helium adsorption isotherms measurements) and the presence of elementary excitations typical of the liquid helium. Moreover, the long-wavelength elementary excitations are found to be perturbed in a way compatible with the system geometry. An intrinsic (at T=0.4 K) width of the roton peak is also found. (author) [fr

  12. New Programs Utilizing Light Scattering and Flow Imaging Techniques for Macromolecular Crystal Growth and Fluid Dynamics Studies

    Science.gov (United States)

    2003-01-01

    Dr. Phil Segre, a physicist by training, is a recent addition to the Biotech group, SD46, having joined NASA in August of 2000. Over the past two years he has been developing a laboratory for the study of macromolecular and protein crystal growth. The main apparatus for this work is a Dynamic Light Scattering apparatus, DLS, which is capable of making highly precise measurements of size distributions of both protein solutions and protein crystals. With Drs. Chernov and Thomas (USRA), he has begun a collaboration studying the affects of protein impurities on protein crystal growth and subsequent crystal quality. One of the hypotheses behind the differences between Earth and space grown protein crystals is that the absorption of harmful impurities is reduced in space due to the absence of convective flows. Using DLS measurements we are examining crystal growth with varying amounts of impurities and testing whether there is a strong physical basis behind this hypothesis. With Dr. Joe Ng of UAH he has been collaborating on a project to examine the folding/unfolding dynamics of large RNA complexes. A detailed understanding of this process is necessary for the handling of RNA in biotech applications, and the DLS instrument gives details and results beyond that of other instruments. With Prof. Jim McClymer of the University of Maine (summer faculty visitor to NASA in 2001, 2002), we have been studying the crystallization process in model colloidal suspensions whose behavior in some cases can mimic that of much smaller protein solutions. An understanding of the self-assembly of colloids is the first step in the process of engineering novel materials for photonic and light switching applications. Finally, he has begun an investigation into the physics of particle sedimentation. In addition to the DLS instrument he also has an instrument (called PIV) that can measure flow fields of fluids. The applications are to the dynamics of protein crystal motions both on earth and in

  13. Insights inot the atomic many-particle dynamics of scattering processes by ab-initio calculations

    International Nuclear Information System (INIS)

    Zapukhlyak, Myroslav

    2008-01-01

    The present thesis gives a theoretical contribution to the understanding of the many-particle dynamics in inelastic ion-atom collisions. Many-electron dynamics in ion-helium collisions and proton-sodium collisions was theoretically studied. The description is based on the semiclassical approximation with the straight orbit for the projectile motion. The ion-atom collision problem is by this reduced to a time-dependent many-electron problem and in the non-relativistic approximation described by the time-dependent Schroedinger equation. The solution of the many-electron problem pursues in the framework of the time-dependent density functional theory. The time-dependent Schroedinger equation for the interacting many-electron problem is transformed to the system of the time-dependent Kohn-Sham equations and solved by the two-center-basis generator method. The unknown time-dependent exchange-correlation one-particle potential forces different approximation int he time-dependent Kohn-Shan scheme. In this thesis the model of the independent electrons was applied as basis model, in which the electron-electron correlation is consistently neglected in all parts and in all steps. Differential cross sections for different one- and two-electron processes were calculated in the so-called eikonal approximation for the collisional systems p-He, He 2+ -He, and Ar q+ -He (q=15-18) [de

  14. Dynamic placement of plasmonic hotspots for super-resolution surface-enhanced Raman scattering.

    Science.gov (United States)

    Ertsgaard, Christopher T; McKoskey, Rachel M; Rich, Isabel S; Lindquist, Nathan C

    2014-10-28

    In this paper, we demonstrate dynamic placement of locally enhanced plasmonic fields using holographic laser illumination of a silver nanohole array. To visualize these focused "hotspots", the silver surface was coated with various biological samples for surface-enhanced Raman spectroscopy (SERS) imaging. Due to the large field enhancements, blinking behavior of the SERS hotspots was observed and processed using a stochastic optical reconstruction microscopy algorithm enabling super-resolution localization of the hotspots to within 10 nm. These hotspots were then shifted across the surface in subwavelength (hotspots. Using this technique, we also show that such subwavelength shifting and localization of plasmonic hotspots has potential for imaging applications. Interestingly, illuminating the surface with randomly shifting SERS hotspots was sufficient to completely fill in a wide field of view for super-resolution chemical imaging.

  15. Raman scattering study of the dynamics of some fluorine compounds in the liquid phase

    International Nuclear Information System (INIS)

    Nectoux, Philippe

    1981-01-01

    This manuscript deals with the application of various rotational and vibrational relaxation theories to the dynamic study of some high symmetry fluorine compounds. After a theoretical recall of the models we used, special attention is paid to the significance of the physical quantities derived from the Raman band contour analysis. Two types of movements are described: monomolecular ones and those involving many-body interactions. The first ones are studied through GORDON's and CHANDLER's models applied to NOF 3 , CF 4 in Argon and SF 6 in Oxygen and Krypton, and through DEBYE's model for the anisotropic PF 3 molecule. A semiquantitative approach of the many-body interaction is given in the transition dipole - transition dipole coupling study of the highly infrared active modes in NOF 3 and CF 4 . Generally, these theories are in fairly good agreement with experiment if one does not compare the results obtained on various compounds. Incoherencies may then appear between the values of the physical constants derived and those given in the literature. If the too small collision roughness of NOF 3 can be explained by its peculiar type of atom bonding, the low reorientational anisotropy observed for PF 3 enhances a major lack in DEBYE's model: it neglects interactions between neighbouring molecules of great importance in high density systems. CHANDLER's model is faulty in the case of SF 6 dissolved in liquid Krypton because the size of Krypton no longer makes it a real hard sphere. To conclude we would say that experiment yielded results whose interpretation is no longer limited by the experimental quality but essentially by the over simplifications made in the models at our disposal. The appearance of new models based on numerical simulation gives a great hope for a better understanding of liquid dynamics. (author) [fr

  16. Exploring Familial Relationship Growth and Negotiation: A Case Study of Outward Bound Family Courses

    Science.gov (United States)

    Overholt, Jillisa R.

    2013-01-01

    This study explored the phenomenon of father-child relationship development within the context of an Outward Bound (OB) family course, an environment that may both disrupt the ordinary aspects of an established relationship, and provide activities to purposefully encourage relationship development through a variety of aspects inherent to the…

  17. Outward Foreign Direct Investment and Human Capital Development: A Small Country Perspective

    Science.gov (United States)

    McDonnell, Anthony

    2008-01-01

    Purpose: The purpose of this paper is to examine the pattern of outward foreign direct investment (FDI) by Irish MNCs, and more specifically, to investigate their approach to human capital development and how these correspond to foreign MNCs in Ireland. In particular, it seeks to investigate training and development expenditure, adoption of…

  18. Institutional System Development for Outward Foreign Direct Investment in China and Russia

    DEFF Research Database (Denmark)

    Marinova, Svetla Trifonova; Child, John; Marinov, Marin Alexandrov

    This paper examines institutional formation and institutional entrepreneurship relating to outward foreign direct investment (OFDI) in China and Russia since the beginning of their market-oriented economic reforms. It focuses on the stages of OFDI institutional development during these periods...

  19. Outward Foreign Direct Investment from Emerging Economies and National Development Strategies

    DEFF Research Database (Denmark)

    Gammeltoft, Peter; Kokko, Ari

    2013-01-01

    Foreign direct investment (FDI) is an integral part of national development strategy throughout the developing world. However, while traditionally strategies have focused on the role of inward flows only, today, outward FDI is used on a larger scale and more deliberately to access markets...

  20. Differential effects of the transient outward K(+) current activator NS5806 in the canine left ventricle

    DEFF Research Database (Denmark)

    Calloe, Kirstine; Soltysinska, Ewa; Jespersen, Thomas

    2009-01-01

    To examine the electrophysiological and molecular properties of the transient outward current (I(to)) in canine left ventricle using a novel I(to) activator, NS5806, I(to) was measured in isolated epicardial (Epi), midmyocardial (Mid) and endocardial (Endo) cells using whole-cell patch-clamp tech...

  1. Protein dynamics and stability: The distribution of atomic fluctuations in thermophilic and mesophilic dihydrofolate reductase derived using elastic incoherent neutron scattering

    International Nuclear Information System (INIS)

    Meinhold, Lars; Clement, David; Tehei, M.; Daniel, R.M.; Finney, J.L.; Smith, Jeremy C.

    2008-01-01

    The temperature dependence of the dynamics of mesophilic and thermophilic dihydrofolate reductase is examined using elastic incoherent neutron scattering. It is demonstrated that the distribution of atomic displacement amplitudes can be derived from the elastic scattering data by assuming a (Weibull) functional form that resembles distributions seen in molecular dynamics simulations. The thermophilic enzyme has a significantly broader distribution than its mesophilic counterpart. Furthermore, although the rate of increase with temperature of the atomic mean-square displacements extracted from the dynamic structure factor is found to be comparable for both enzymes, the amplitudes are found to be slightly larger for the thermophilic enzyme. Therefore, these results imply that the thermophilic enzyme is the more flexible of the two

  2. Systematic analysis of protein–detergent complexes applying dynamic light scattering to optimize solutions for crystallization trials

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Arne [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany); Dierks, Karsten [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany); XtalConcepts, Marlowring 19, 22525 Hamburg (Germany); Hussein, Rana [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany); Brillet, Karl [ESBS, Pôle API, 300 Boulevard Sébastien Brant, CS10413, 67412 Illkirch CEDEX (France); Brognaro, Hevila [São Paulo State University, UNESP/IBILCE, Caixa Postal 136, São José do Rio Preto-SP, 15054 (Brazil); Betzel, Christian, E-mail: christian.betzel@uni-hamburg.de [University of Hamburg, c/o DESY, Building 22a, Notkestrasse 85, 22603 Hamburg (Germany)

    2015-01-01

    Application of in situ dynamic light scattering to solutions of protein–detergent complexes permits characterization of these complexes in samples as small as 2 µl in volume. Detergents are widely used for the isolation and solubilization of membrane proteins to support crystallization and structure determination. Detergents are amphiphilic molecules that form micelles once the characteristic critical micelle concentration (CMC) is achieved and can solubilize membrane proteins by the formation of micelles around them. The results are presented of a study of micelle formation observed by in situ dynamic light-scattering (DLS) analyses performed on selected detergent solutions using a newly designed advanced hardware device. DLS was initially applied in situ to detergent samples with a total volume of approximately 2 µl. When measured with DLS, pure detergents show a monodisperse radial distribution in water at concentrations exceeding the CMC. A series of all-transn-alkyl-β-d-maltopyranosides, from n-hexyl to n-tetradecyl, were used in the investigations. The results obtained verify that the application of DLS in situ is capable of distinguishing differences in the hydrodynamic radii of micelles formed by detergents differing in length by only a single CH{sub 2} group in their aliphatic tails. Subsequently, DLS was applied to investigate the distribution of hydrodynamic radii of membrane proteins and selected water-insoluble proteins in presence of detergent micelles. The results confirm that stable protein–detergent complexes were prepared for (i) bacteriorhodopsin and (ii) FetA in complex with a ligand as examples of transmembrane proteins. A fusion of maltose-binding protein and the Duck hepatitis B virus X protein was added to this investigation as an example of a non-membrane-associated protein with low water solubility. The increased solubility of this protein in the presence of detergent could be monitored, as well as the progress of proteolytic

  3. Effect of solvent and temperature on the size distribution of casein micelles measured by dynamic light scattering.

    Science.gov (United States)

    Beliciu, C M; Moraru, C I

    2009-05-01

    The objectives of this study were to investigate the effect of the solvent on the accuracy of casein micelle particle size determination by dynamic light scattering (DLS) at different temperatures and to establish a clear protocol for these measurements. Dynamic light scattering analyses were performed at 6, 20, and 50 degrees C using a 90Plus Nanoparticle Size Analyzer (Brookhaven Instruments, Holtsville, NY). Raw and pasteurized skim milk were used as sources of casein micelles. Simulated milk ultrafiltrate, ultrafiltered water, and permeate obtained by ultrafiltration of skim milk using a 10-kDa cutoff membrane were used as solvents. The pH, ionic concentration, refractive index, and viscosity of all solvents were determined. The solvents were evaluated by DLS to ensure that they did not have a significant influence on the results of the particle size measurements. Experimental protocols were developed for accurate measurement of particle sizes in all solvents and experimental conditions. All measurements had good reproducibility, with coefficients of variation below 5%. Both the solvent and the temperature had a significant effect on the measured effective diameter of the casein micelles. When ultrafiltered permeate was used as a solvent, the particle size and polydispersity of casein micelles decreased as temperature increased. The effective diameter of casein micelles from raw skim milk diluted with ultrafiltered permeate was 176.4 +/- 5.3 nm at 6 degrees C, 177.4 +/- 1.9 nm at 20 degrees C, and 137.3 +/- 2.7 nm at 50 degrees C. This trend was justified by the increased strength of hydrophobic bonds with increasing temperature. Overall, the results of this study suggest that the most suitable solvent for the DLS analyses of casein micelles was casein-depleted ultrafiltered permeate. Dilution with water led to micelle dissociation, which significantly affected the DLS measurements, especially at 6 and 20 degrees C. Simulated milk ultrafiltrate seemed to give

  4. Amphiphilic copolymers based on polyoxazoline and grape seed vegetable oil derivatives: self-assemblies and dynamic light scattering

    Energy Technology Data Exchange (ETDEWEB)

    Travelet, Christophe, E-mail: Christophe.Travelet@cermav.cnrs.fr [Universite Joseph Fourier (UJF), Institut de Chimie Moleculaire de Grenoble (ICMG-FR 2607 CNRS), PolyNat Carnot institute, Arcane LabEx, domaine universitaire de Grenoble, Centre de Recherches sur les Macromolecules Vegetales - CERMAV-UPR 5301 CNRS (France); Stemmelen, Mylene; Lapinte, Vincent [Universite de Montpellier II, Institut Charles Gerhardt Montpellier (UMR 5253 CNRS-UM2-UM1-ENSCM), equipe ingenierie et architectures macromoleculaires (France); Dubreuil, Frederic [Universite Joseph Fourier (UJF), Institut de Chimie Moleculaire de Grenoble (ICMG-FR 2607 CNRS), PolyNat Carnot institute, Arcane LabEx, domaine universitaire de Grenoble, Centre de Recherches sur les Macromolecules Vegetales - CERMAV-UPR 5301 CNRS (France); Robin, Jean-Jacques [Universite de Montpellier II, Institut Charles Gerhardt Montpellier (UMR 5253 CNRS-UM2-UM1-ENSCM), equipe ingenierie et architectures macromoleculaires (France); and others

    2013-06-15

    The self-assembly in solution of original structures of amphiphilic partially natural copolymers based on polyoxazoline [more precisely poly(2-methyl-2-oxazoline) (POx)] and grape seed vegetable oil derivatives (linear, T-, and trident-structure) is investigated. The results show that such systems are found, using dynamic light scattering (DLS), to spontaneously self-organize into monomodal, narrow-size, and stable nanoparticles in aqueous medium. The obtained hydrodynamic diameters (D{sub h}) range from 8.6 to 32.5 nm. Specifically, such size increases strongly with increasing natural block (i.e., lipophilic species) length due to higher hydrophobic interactions (from 10.1 nm for C{sub 19} to 19.2 nm for C{sub 57}). Furthermore, increasing the polyoxazoline (i.e., hydrophilic block) length leads to a moderate linear increase of the D{sub h}-values. Therefore, the first-order size effect comes from the natural lipophilic block, whereas the characteristic size can be tuned more finely (i.e., in a second-order) by choosing appropriately the polyoxazoline length. The DLS results in terms of characteristic size are corroborated using nanoparticle tracking analysis (NTA), and also by atomic force microscopy (AFM) and transmission electron microscopy (TEM) imaging where well-defined spherical and individual nanoparticles exhibit a very good mechanical resistance upon drying. Moreover, changing the lipophilic block architecture from linear to T-shape, while keeping the same molar mass, generates a branching and thus a shrinking by a factor of 2 of the nanoparticle volume, as observed by DLS. In this paper, it is clearly shown that the self-assemblies of amphiphilic block copolymer obtained from grape seed vegetable oil derivatives (sustainable renewable resources) as well as their tunability are of great interest for biomass valorization at the nanoscale level [continuation of the article by Stemmelen et al. (Polym Chem 4:1445-1458, 2013)].Graphical Abstract

  5. Amphiphilic copolymers based on polyoxazoline and grape seed vegetable oil derivatives: self-assemblies and dynamic light scattering

    International Nuclear Information System (INIS)

    Travelet, Christophe; Stemmelen, Mylène; Lapinte, Vincent; Dubreuil, Frédéric; Robin, Jean-Jacques

    2013-01-01

    The self-assembly in solution of original structures of amphiphilic partially natural copolymers based on polyoxazoline [more precisely poly(2-methyl-2-oxazoline) (POx)] and grape seed vegetable oil derivatives (linear, T-, and trident-structure) is investigated. The results show that such systems are found, using dynamic light scattering (DLS), to spontaneously self-organize into monomodal, narrow-size, and stable nanoparticles in aqueous medium. The obtained hydrodynamic diameters (D h ) range from 8.6 to 32.5 nm. Specifically, such size increases strongly with increasing natural block (i.e., lipophilic species) length due to higher hydrophobic interactions (from 10.1 nm for C 19 to 19.2 nm for C 57 ). Furthermore, increasing the polyoxazoline (i.e., hydrophilic block) length leads to a moderate linear increase of the D h -values. Therefore, the first-order size effect comes from the natural lipophilic block, whereas the characteristic size can be tuned more finely (i.e., in a second-order) by choosing appropriately the polyoxazoline length. The DLS results in terms of characteristic size are corroborated using nanoparticle tracking analysis (NTA), and also by atomic force microscopy (AFM) and transmission electron microscopy (TEM) imaging where well-defined spherical and individual nanoparticles exhibit a very good mechanical resistance upon drying. Moreover, changing the lipophilic block architecture from linear to T-shape, while keeping the same molar mass, generates a branching and thus a shrinking by a factor of 2 of the nanoparticle volume, as observed by DLS. In this paper, it is clearly shown that the self-assemblies of amphiphilic block copolymer obtained from grape seed vegetable oil derivatives (sustainable renewable resources) as well as their tunability are of great interest for biomass valorization at the nanoscale level [continuation of the article by Stemmelen et al. (Polym Chem 4:1445–1458, 2013)].Graphical AbstractAmphiphilic copolymers based

  6. Carrier-carrier scattering in the gain dynamics of InxGa1-xAs/AlyGa1-yAs diode lasers

    DEFF Research Database (Denmark)

    Sanders, Gary D; Sun, C.-K.; Golubovic, B.

    1996-01-01

    Ultrafast optical nonlinearities in semiconductors play a central role in determining transient amplification and pulse-dependent gain saturation in diode lasers. Both carrier-phonon and carrier-carrier scattering are expected to determine the gain dynamics in these systems. We present a relaxation......-Dirac function where the chemical potential and temperature are self-consistently chosen so that both particle number and energy are conserved in the carrier-carrier scattering process. The relaxation approximation makes the problem an effective one-dimensional problem which can then be solved directly...

  7. The Adler-Weisberger and Goldberger-Miyazawa-Oehme sum rules as probes of constraints from analyticity and chiral symmetry in dynamical models for pion-nucleon scattering

    International Nuclear Information System (INIS)

    Kondratyuk, S.; Kubodera, K.; Myhrer, F.; Scholten, O.

    2004-01-01

    The Adler-Weisberger and Goldberger-Miyazawa-Oehme sum rules are calculated within a relativistic, unitary and crossing symmetric dynamical model for pion-nucleon scattering using two different methods: (1) by evaluating the scattering amplitude at the corresponding low-energy kinematics and (2) by evaluating the sum-rule integrals with the calculated total cross section. The discrepancy between the results of the two methods provides a measure of the breaking of analyticity and chiral symmetry in the model. The contribution of the Δ resonance, including its dressing with meson loops, is discussed in some detail and found to be small

  8. Dynamics of gas-surface interactions atomic-level understanding of scattering processes at surfaces

    CERN Document Server

    Díez Muniño, Ricardo

    2013-01-01

    This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the ‘surface science’ approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level u...

  9. Simulated glass-forming polymer melts: dynamic scattering functions, chain length effects, and mode-coupling theory analysis.

    Science.gov (United States)

    Frey, S; Weysser, F; Meyer, H; Farago, J; Fuchs, M; Baschnagel, J

    2015-02-01

    We present molecular-dynamics simulations for a fully flexible model of polymer melts with different chain length N ranging from short oligomers (N = 4) to values near the entanglement length (N = 64). For these systems we explore the structural relaxation of the supercooled melt near the critical temperature T c of mode-coupling theory (MCT). Coherent and incoherent scattering functions are analyzed in terms of the idealized MCT. For temperatures T > T c we provide evidence for the space-time factorization property of the β relaxation and for the time-temperature superposition principle (TTSP) of the α relaxation, and we also discuss deviations from these predictions for T ≈ T c. For T larger than the smallest temperature where the TTSP holds we perform a quantitative analysis of the dynamics with the asymptotic MCT predictions for the late β regime. Within MCT a key quantity, in addition to T c, is the exponent parameter λ. For the fully flexible polymer models studied we find that λ is independent of N and has a value (λ = 0.735 ) typical of simple glass-forming liquids. On the other hand, the critical temperature increases with chain length toward an asymptotic value T c (∞) . This increase can be described by T c (∞) - T c(N) ∼ 1/N and may be interpreted in terms of the N dependence of the monomer density ρ, if we assume that the MCT glass transition is ruled by a soft-sphere-like constant coupling parameter Γ c = ρ c T c (-1/4), where ρ c is the monomer density at T c. In addition, we also estimate T c from a Hansen-Verlet-like criterion and MCT calculations based on structural input from the simulation. For our polymer model both the Hansen-Verlet criterion and the MCT calculations suggest T c to decrease with increasing chain length, in contrast to the direct analysis of the simulation data.

  10. An inelastic neutron scattering study of the spin dynamics of Yb1-xLuxAl3

    International Nuclear Information System (INIS)

    Osborn, R.

    1998-01-01

    We present the results of a systematic inelastic neutron scattering study of the spin dynamics of the mixed valent compound YbAl 3 doped with nonmagnetic lutetium. The aim of the investigation is to clarify the origin of the unusual gap-like magnetic response observed in YbAl 3 , which can be modeled by two inelastic peaks: a narrow peak at 34 meV with HWHM, r = 6.4 ± 0.8 meV and a broad peak at 44 meV with Λ = 30 ± 1 meV. Lutetium substitution leads to a substantial increase in the linewidth (Λ = 9 ± 1 meV at x = 0.1) and a decrease in the intensity (down by 60% at x = 0.1) of the narrow component, with a negligible effect on the broad inelastic peak. This trend is confirmed with higher doping resulting in the complete suppression of the narrow peak at x ≥ 0.35. The results indicate that the narrow component arises from coherent excitation processes within the hybridized 4f-band, which are destroyed by disorder, while the broad component is not so sensitive to the loss of coherence

  11. Quantitative imaging of cerebral blood flow velocity and intracellular motility using dynamic light scattering-optical coherence tomography.

    Science.gov (United States)

    Lee, Jonghwan; Radhakrishnan, Harsha; Wu, Weicheng; Daneshmand, Ali; Climov, Mihail; Ayata, Cenk; Boas, David A

    2013-06-01

    This paper describes a novel optical method for label-free quantitative imaging of cerebral blood flow (CBF) and intracellular motility (IM) in the rodent cerebral cortex. This method is based on a technique that integrates dynamic light scattering (DLS) and optical coherence tomography (OCT), named DLS-OCT. The technique measures both the axial and transverse velocities of CBF, whereas conventional Doppler OCT measures only the axial one. In addition, the technique produces a three-dimensional map of the diffusion coefficient quantifying nontranslational motions. In the DLS-OCT diffusion map, we observed high-diffusion spots, whose locations highly correspond to neuronal cell bodies and whose diffusion coefficient agreed with that of the motion of intracellular organelles reported in vitro in the literature. Therefore, the present method has enabled, for the first time to our knowledge, label-free imaging of the diffusion-like motion of intracellular organelles in vivo. As an example application, we used the method to monitor CBF and IM during a brief ischemic stroke, where we observed an induced persistent reduction in IM despite the recovery of CBF after stroke. This result supports that the IM measured in this study represent the cellular energy metabolism-related active motion of intracellular organelles rather than free diffusion of intracellular macromolecules.

  12. Dynamics of water intercalation fronts in a nano-layered synthetic silicate: A synchrotron X-ray scattering study

    International Nuclear Information System (INIS)

    Lovoll, G.; Sandnes, B.; Meheust, Y.; Maloy, K.J.; Fossum, J.O.; Silva, G.J. da; Mundim, M.S.P.; Droppa, R. Jr.; Fonseca, D.M.

    2005-01-01

    We performed synchrotron X-ray scattering studies of the dynamics of the water intercalation front in a Na-Fluorohectorite clay. Like other smectite clays, fluorohectorite particles can swell due to intercalation of successive water layers. Monitoring the intensities of Bragg peaks of the known 1- and 2-water-layer hydration states at different positions in the sample enabled spatial and temporal measurement of the proportions of the different hydration states. From experiments with controlled temperature and an imposed humidity gradient on a quasi one-dimensional powder sample, we were able to localize the intercalation front and demonstrate that the width of this front was smaller than 2 mm after penetrating 9 mm into the sample. The speed at which the intercalation front advanced through the sample during the diffusion process was shown to decrease with time. The diffraction signature of random water intercalation in the vicinity of the intercalation front also provided information on the changes in the water content of the mesopores around clay particles

  13. Crystallization of the Membrane-Associated Annexin B1: Roles of Additive Screen, Dynamic Light Scattering, and Bioactivity Assay

    Energy Technology Data Exchange (ETDEWEB)

    Ding, F.; Xu, Y; Azzi, A; Zhu, D; Rehse, D; Chen, C; Sun, S; Lin, S

    2010-01-01

    Annexin B1 (AnxB1) is a calcium-dependent phospholipid binding protein from Taenia solium cysticercus and has been reported to possess anticoagulant activity, to inhibit phospholipase A{sub 2}, and to regulate membrane transport. Native AnxB1 and its selenomethionyl derivative have been overproduced in Escherichia coli and purified. The results of dynamic light scattering analysis showed that Hepes buffer combined with low concentration salts (NaCl or CaCl{sub 2}) was beneficial for preventing aggregation and for AnxB1 stabilization in the storage. After the additive screen, crystals have been yielded in the presence of guanidine hydrochloride (Gn-HCl). We determined that a low concentration of Gn-HCl significantly delayed clotting time and increased anticoagulant activity. Analysis of the crystal showed that in the presence of Gn-HCl, AnxB1 crystallizes in orthorhombic space group, which is modified from the cubic space group for crystals grown in the absence of Gn-HCl. A high quality data set (at 1.9 {angstrom}) has been collected successfully for crystals of L-selenomethionine labeled protein in the presence of Gn-HCl, to solve the structure with the single anomalous dispersion method (SAD). The unit cell parameters are a = 102.35 {angstrom}, b = 103.59 {angstrom}, c = 114.60 {angstrom}, {alpha} = {beta} = {gamma} = 90.00{sup o}.

  14. Review of the fundamental theories behind small angle X-ray scattering, molecular dynamics simulations, and relevant integrated application

    Directory of Open Access Journals (Sweden)

    Lauren Boldon

    2015-02-01

    Full Text Available In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS experiments, molecular dynamics (MD simulations, and MD-SAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics’ equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques.

  15. Neutron scattering study on the spin dynamics of the two dimensional square lattice antiferromagnet, La2NiO4

    International Nuclear Information System (INIS)

    Nakajima, Kenji; Yamada, Kazuyoshi; Hosoya, Syoichi; Endoh, Yasuo; Omata, Tomoya; Arai, Masatoshi; Taylor, A.

    1993-01-01

    The spin dynamics of an S = 1, two dimensional (2D) square lattice antiferromagnet, La 2 NiO 4 was studied by neutron scattering experiments in wide energy (E N ), the spin wave excitations of La 2 NiO 4 are well described by a classical spin wave theory. The nearest-neighbor-exchange coupling constant, the in-plane and the out-of-plane anisotropy constants at 10 K were determined to be 28.7±0.7 meV, 0.10±0.02 meV and 1.26±0.12 meV, respectively. Above T N , the 2D spin fluctuation was observed over 600 K. The critical slowing down behavior of the fluctuation was observed in the enhancement of the low energy component toward T N . On the other hand, the high energy component is hardly affected by the three dimensional magnetic transition and still exists even at T N as observed in La 2 CuO 4 . The spin correlation length and the static structure factor at the 2D zone center were measured and compared with theoretical calculations for 2D Heisenberg antiferromagnets. (author)

  16. Review of the fundamental theories behind small angle X-ray scattering, molecular dynamics simulations, and relevant integrated application.

    Science.gov (United States)

    Boldon, Lauren; Laliberte, Fallon; Liu, Li

    2015-01-01

    In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS) experiments, molecular dynamics (MD) simulations, and MD-SAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics' equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques.

  17. Observation of the dynamics of magnetically induced chains of sub-micron superparamagnetic beads in aqueous solutions by laser light scattering

    International Nuclear Information System (INIS)

    Tanizawa, Y; Tashiro, T; Sandhu, A; Ko, P J

    2013-01-01

    Optical monitoring the behaviour of magnetically induced self-assembled chains of superparamagnetic beads (SPBs) are of interest for biomedical applications such as biosensors. However, it is difficult to directly monitor magnetically induced self-assembly of sub-micron nano-beads with conventional optical microscopes. Here, we describe the optical observation of the dynamics of magnetically induced self-assembled rotating chains of 130 nm SPBs in aqueous solutions by laser light scattering. Magnetic fields of ∼1 kOe were applied to control the self-assembly chains of SPBs and their behaviour analyzed by monitoring the intensity of laser light scattered from the chain structures. We compared the light scattering from chains that were formed only by the application of external fields with chains formed by beads functionalized by EDC, where chemical reactions lead to the bonding of individual beads to form chains. The EDC experiments are a precursor to experiments on molecular recognition applications for biomedical diagnostics.

  18. Electromagnetic scattering from random media

    CERN Document Server

    Field, Timothy R

    2009-01-01

    - ;The book develops the dynamical theory of scattering from random media from first principles. Its key findings are to characterize the time evolution of the scattered field in terms of stochastic differential equations, and to illustrate this framework

  19. Relation between speckle decorrelation and optical phase conjugation (OPC)-based turbidity suppression through dynamic scattering media: a study on in vivo mouse skin

    Science.gov (United States)

    Jang, Mooseok; Ruan, Haowen; Vellekoop, Ivo M.; Judkewitz, Benjamin; Chung, Euiheon; Yang, Changhuei

    2014-01-01

    Light scattering in biological tissue significantly limits the accessible depth for localized optical interrogation and deep-tissue optical imaging. This challenge can be overcome by exploiting the time-reversal property of optical phase conjugation (OPC) to reverse multiple scattering events or suppress turbidity. However, in living tissue, scatterers are highly movable and the movement can disrupt time-reversal symmetry when there is a latency in the OPC playback. In this paper, we show that the motion-induced degradation of the OPC turbidity-suppression effect through a dynamic scattering medium shares the same decorrelation time constant as that determined from speckle intensity autocorrelation – a popular conventional measure of scatterer movement. We investigated this decorrelation characteristic time through a 1.5-mm-thick dorsal skin flap of a living mouse and found that it ranges from 50 ms to 2.5 s depending on the level of immobilization. This study provides information on relevant time scales for applying OPC to living tissues. PMID:25657876

  20. Contrast variation by dynamic nuclear polarization and time-of-flight small-angle neutron scattering. I. Application to industrial multi-component nanocomposites1

    Science.gov (United States)

    Noda, Yohei; Koizumi, Satoshi; Masui, Tomomi; Mashita, Ryo; Kishimoto, Hiroyuki; Yamaguchi, Daisuke; Kumada, Takayuki; Takata, Shin-ichi; Ohishi, Kazuki; Suzuki, Jun-ichi

    2016-01-01

    Dynamic nuclear polarization (DNP) at low temperature (1.2 K) and high magnetic field (3.3 T) was applied to a contrast variation study in small-angle neutron scattering (SANS) focusing on industrial rubber materials. By varying the scattering contrast by DNP, time-of-flight SANS profiles were obtained at the pulsed neutron source of the Japan Proton Accelerator Research Complex (J-PARC). The concentration of a small organic molecule, (2,2,6,6-tetramethylpiperidine-1-yl)oxy (TEMPO), was carefully controlled by a doping method using vapour sorption into the rubber specimens. With the assistance of microwave irradiation (94 GHz), almost full polarization of the paramagnetic electronic spin of TEMPO was transferred to the spin state of hydrogen (protons) in the rubber materials to obtain a high proton spin polarization (P H). The following samples were prepared: (i) a binary mixture of styrene–butadiene random copolymer (SBR) with silica particles (SBR/SP); and (ii) a ternary mixture of SBR with silica and carbon black particles (SBR/SP/CP). For the binary mixture (SBR/SP), the intensity of SANS significantly increased or decreased while keeping its q dependence for P H = −35% or P H = 40%, respectively. The q behaviour of SANS for the SBR/SP mixture can be reproduced using the form factor of a spherical particle. The intensity at low q (∼0.01 Å−1) varied as a quadratic function of P H and indicated a minimum value at P H = 30%, which can be explained by the scattering contrast between SP and SBR. The scattering intensity at high q (∼0.3 Å−1) decreased with increasing P H, which is attributed to the incoherent scattering from hydrogen. For the ternary mixture (SBR/SP/CP), the q behaviour of SANS was varied by changing P H. At P H = −35%, the scattering maxima originating from the form factor of SP prevailed, whereas at P H = 29% and P H = 38%, the scattering maxima disappeared. After decomposition of the total SANS according to inverse matrix

  1. Investigations of the dynamics and growth of insulator films by high resolution helium atom scattering. Final report, May 1, 1985--April 30, 1997

    Energy Technology Data Exchange (ETDEWEB)

    Safron, S.A.; Skofronick, J.G.

    1997-07-01

    Over the twelve years of this grant from the U.S. Department of Energy, DE-FG05-85ER45208, the over-reaching aims of this work have been to explore and to attempt to understand the fundamental physics and chemistry of surfaces and interfaces. The instrument we have employed m in this work is high-resolution helium atom scattering (HAS) which we have become even more convinced is an exceptionally powerful and useful tool for surface science. One can follow the evolution of the development and progress of the experiments that we have carried out by the evolution of the proposal titles for each of the four three-year periods. At first, m in 1985-1988, the main objective of this grant was to construct the HAS instrument so that we could begin work on the surface vibrational dynamics of crystalline materials; the title was {open_quotes}Helium Atom-Surface Scattering Apparatus for Studies of Crystalline Surface Dynamics{close_quotes}. Then, as we became more interested m in the growth of films and interfaces the title m in 1988-1991 became {open_quotes}Helium Atom Surface Spectroscopy: Surface Lattice Dynamics of Insulators, Metal and Metal Overlayers{close_quotes}. In 1991-1994, we headed even more m in this direction, and also recognized that we should focus more on insulator materials as very few techniques other than helium atom scattering could be applied to insulators without causing surface damage. Thus, the proposal title became {open_quotes}Helium Atom-Surface Scattering: Surface Dynamics of Insulators, Overlayers and Crystal Growth{close_quotes}. M in the final period of this grant the title ended up {open_quotes}Investigations of the Dynamics and Growth of Insulator Films by High Resolution Helium Atom Scattering{close_quotes} m in 1994-1997. The list of accomplishments briefly discussed in this report are: tests of the shell model; multiphoton scattering; physisorbed monolayer films; other surface phase transitions; and surface magnetic effects.

  2. Thermal evolution of the CO stretching band in carboxy-myoglobin in the light of neutron scattering and molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Cordone, Lorenzo [Dipartimento di Scienze Fisiche ed Astronomiche, Universita di Palermo and CNISM, Via Archirafi 36, I-90123 Palermo (Italy)], E-mail: cordone@fisica.unipa.it; Cottone, Grazia; Giuffrida, Sergio; Librizzi, Fabio [Dipartimento di Scienze Fisiche ed Astronomiche, Universita di Palermo and CNISM, Via Archirafi 36, I-90123 Palermo (Italy)

    2008-04-18

    As it is well known, the thermal behaviour of the CO stretching band in MbCO reflects the interconversion among protein's taxonomic and lower tier substates. We compare here FTIR data on the thermal behaviour of the CO stretching band in MbCO embedded in non-liquid, water-trehalose matrixes, and neutron scattering data on dry and hydrated proteins and nucleic acids. The comparison, also in the light of simulative data, gives relevant information on the relationship between the mean square displacements of hydrogen atoms and the heme pocket thermal rearrangements in MbCO, as experienced by the bound CO, in the temperature region 100-200 K, and at higher temperature when large scale protein motions take place, following the so-called dynamic transition. The reported results point out how FTIR is a useful tool to study the protein internal dynamics, and complement information from neutron scattering measurements.

  3. LONG RANGE OUTWARD MIGRATION OF GIANT PLANETS, WITH APPLICATION TO FOMALHAUT b

    International Nuclear Information System (INIS)

    Crida, Aurelien; Masset, Frederic; Morbidelli, Alessandro

    2009-01-01

    Recent observations of exoplanets by direct imaging reveal that giant planets orbit at a few dozens to more than a hundred AU from their central star. The question of the origin of these planets challenges the standard theories of planet formation. We propose a new way of obtaining such far planets, by outward migration of a pair of planets formed in the 10 AU region. Two giant planets in mean motion resonance in a common gap in the protoplanetary disk migrate outward, if the inner one is significantly more massive than the outer one. Using hydrodynamical simulations, we show that their semimajor axes can increase by almost 1 order of magnitude. In a flared disk, the pair of planets should reach an asymptotic radius. This mechanism could account for the presence of Fomalhaut b; then, a second, more massive planet, should be orbiting Fomalhaut at about 75 AU.

  4. High-resolution He beam scattering as a tool for the investigation of the structural and dynamical properties of surface soliton dislocations

    International Nuclear Information System (INIS)

    El-Batanouny, M.; Martini, K.M.

    1986-01-01

    We discuss the applicability of high-resolution-He-beam/surface scattering to the investigation of the structural and dynamic properties of soliton-like surface misfit dislocations and associated phase transitions. We present evidence, based on recent He diffraction measurements, for the existence of double-sine-Gordon soliton-like dislocations on the reconstructed Au(111) surface. 18 refs., 3 figs., 1 tab

  5. Radial Variations of Outward and Inward Alfvénic Fluctuations Based on Ulysses Observations

    Science.gov (United States)

    Yang, L.; Lee, L. C.; Li, J. P.; Luo, Q. Y.; Kuo, C. L.; Shi, J. K.; Wu, D. J.

    2017-12-01

    Ulysses magnetic and plasma data are used to study hourly scale Alfvénic fluctuations in the solar polar wind. The calculated energy ratio {R}{vA}2(cal) of inward to outward Alfvén waves is obtained from the observed Walén slope through an analytical expression, and the observed {R}{vA}2(obs) is based on a direct decomposition of original Alfvénic fluctuations into outward- and inward-propagating Alfvén waves. The radial variation of {R}{vA}2(cal) shows a monotonically increasing trend with heliocentric distance r, implying the increasing local generation or contribution of inward Alfvén waves. The contribution is also shown by the radial increase in the occurrence of dominant inward fluctuations. We further pointed out a higher occurrence (˜ 83 % of a day in average) of dominant outward Alfvénic fluctuations in the solar wind than previously estimated. Since {R}{vA}2(cal) is more accurate than {R}{vA}2(obs) in the measurement of the energy ratio for dominant outward fluctuations, the values of {R}{vA}2(cal) in our results are likely more realistic in the solar wind than those previously estimated as well as {R}{vA}2(obs) in our results. The duration ratio R T of dominant inward to all Alfvénic fluctuations increases monotonically with r, and is about two or more times that from Voyager 2 observations at r≥slant 4 {au}. These results reveal new qualitative and quantitative features of Alfvénic fluctuations therein compared with previous studies and put constraints on modeling the variation of solar wind fluctuations.

  6. Supply-demand balance in outward-directed networks and Kleiber's law

    OpenAIRE

    Painter Page R

    2005-01-01

    Abstract Background Recent theories have attempted to derive the value of the exponent α in the allometric formula for scaling of basal metabolic rate from the properties of distribution network models for arteries and capillaries. It has recently been stated that a basic theorem relating the sum of nutrient currents to the specific nutrient uptake rate, together with a relationship claimed to be required in order to match nutrient supply to nutrient demand in 3-dimensional outward-directed n...

  7. What determines Chinese outward direct investment in Africa? Case study: CNPC and Huawei

    OpenAIRE

    WU, XUANYONG

    2014-01-01

    Outward foreign direct investment (OFDI) from China has increased substantially in recent years. Africa, as one of the most significant destinations of OFDI, has attracted increased global attention. The determinants of China’s OFDI to Africa are primarily linked to poorly governed countries with abundant natural resources. However, the results are inconclusive because of the differences between state-controlled and privately owned firms. In order to explore what drives Chinese OFDI in Africa...

  8. The determinants of the outward foreign direct investment of China and India: whither the home country?

    OpenAIRE

    Tolentino, P.E.

    2008-01-01

    The current study examines the relationships between several home country-specific \\ud macroeconomic factors and the level of the outward FDI of China and India using multiple \\ud time-series data from 1982 to 2006 and from 1980 to 2006, respectively. With the use of a \\ud vector autoregressive model assessing the causal relationships of the endogenous variables, \\ud the empirical research proves that Chinese national characteristics associated with income per \\ud capita, openness of the econ...

  9. A Panel data analysis of locational determinants of outward Foreign Direct Investment from China and India

    OpenAIRE

    Duanmu, J; Guney, Y

    2009-01-01

    The upsurge of Chinese and Indian outward foreign direct investment (FDI) raises an unanswered question about locational determinants of direct investment from the two countries. Using an unbalanced bilateral FDI database, we find that Chinese and Indian FDI are attracted to countries with large market size, low GDP growth, high volumes of imports from China or India, and low corporate tax rates. We also find important differences between China and India. While Chinese FDI is drawn to countri...

  10. SU-E-QI-03: Compartment Modeling of Dynamic Brain PET - The Effect of Scatter and Random Corrections On Parameter Errors

    International Nuclear Information System (INIS)

    Häggström, I; Karlsson, M; Larsson, A; Schmidtlein, C

    2014-01-01

    Purpose: To investigate the effects of corrections for random and scattered coincidences on kinetic parameters in brain tumors, by using ten Monte Carlo (MC) simulated dynamic FLT-PET brain scans. Methods: The GATE MC software was used to simulate ten repetitions of a 1 hour dynamic FLT-PET scan of a voxelized head phantom. The phantom comprised six normal head tissues, plus inserted regions for blood and tumor tissue. Different time-activity-curves (TACs) for all eight tissue types were used in the simulation and were generated in Matlab using a 2-tissue model with preset parameter values (K1,k2,k3,k4,Va,Ki). The PET data was reconstructed into 28 frames by both ordered-subset expectation maximization (OSEM) and 3D filtered back-projection (3DFBP). Five image sets were reconstructed, all with normalization and different additional corrections C (A=attenuation, R=random, S=scatter): Trues (AC), trues+randoms (ARC), trues+scatters (ASC), total counts (ARSC) and total counts (AC). Corrections for randoms and scatters were based on real random and scatter sinograms that were back-projected, blurred and then forward projected and scaled to match the real counts. Weighted non-linearleast- squares fitting of TACs from the blood and tumor regions was used to obtain parameter estimates. Results: The bias was not significantly different for trues (AC), trues+randoms (ARC), trues+scatters (ASC) and total counts (ARSC) for either 3DFBP or OSEM (p<0.05). Total counts with only AC stood out however, with an up to 160% larger bias. In general, there was no difference in bias found between 3DFBP and OSEM, except in parameter Va and Ki. Conclusion: According to our results, the methodology of correcting the PET data for randoms and scatters performed well for the dynamic images where frames have much lower counts compared to static images. Generally, no bias was introduced by the corrections and their importance was emphasized since omitting them increased bias extensively

  11. Supply-demand balance in outward-directed networks and Kleiber's law.

    Science.gov (United States)

    Painter, Page R

    2005-11-10

    Recent theories have attempted to derive the value of the exponent alpha in the allometric formula for scaling of basal metabolic rate from the properties of distribution network models for arteries and capillaries. It has recently been stated that a basic theorem relating the sum of nutrient currents to the specific nutrient uptake rate, together with a relationship claimed to be required in order to match nutrient supply to nutrient demand in 3-dimensional outward-directed networks, leads to Kleiber's law (b = 3/4). The validity of the supply-demand matching principle and the assumptions required to prove the basic theorem are assessed. The supply-demand principle is evaluated by examining the supply term and the demand term in outward-directed lattice models of nutrient and water distribution systems and by applying the principle to fractal-like models of mammalian arterial systems. Application of the supply-demand principle to bifurcating fractal-like networks that are outward-directed does not predict 3/4-power scaling, and evaluation of water distribution system models shows that the matching principle does not match supply to demand in such systems. Furthermore, proof of the basic theorem is shown to require that the covariance of nutrient uptake and current path length is 0, an assumption unlikely to be true in mammalian arterial systems. The supply-demand matching principle does not lead to a satisfactory explanation for the approximately 3/4-power scaling of mammalian basal metabolic rate.

  12. Neutron scattering and magnetism

    International Nuclear Information System (INIS)

    Mackintosh, A.R.

    1983-01-01

    Those properties of the neutron which make it a unique tool for the study of magnetism are described. The scattering of neutrons by magnetic solids is briefly reviewed, with emphasis on the information on the magnetic structure and dynamics which is inherent in the scattering cross-section. The contribution of neutron scattering to our understanding of magnetic ordering, excitations and phase transitions is illustrated by experimental results on a variety of magnetic crystals. (author)

  13. Diffractive scattering

    CERN Document Server

    De Wolf, E.A.

    2002-01-01

    We discuss basic concepts and properties of diffractive phenomena in soft hadron collisions and in deep-inelastic scattering at low Bjorken-x. The paper is not a review of the rapidly developing field but presents an attempt to show in simple terms the close inter-relationship between the dynamics of high-energy hadronic and deep-inelastic diffraction. Using the saturation model of Golec-Biernat and Wusthoff as an example, a simple explanation of geometrical scaling is presented. The relation between the QCD anomalous multiplicity dimension and the Pomeron intercept is discussed.

  14. Diffractive Scattering

    International Nuclear Information System (INIS)

    Wolf, E.A. de

    2002-01-01

    We discuss basic concepts and properties of diffractive phenomena in soft hadron collisions and in deep-inelastic scattering at low Bjorken - x. The paper is not a review of the rapidly developing field but presents an attempt to show in simple terms the close inter-relationship between the dynamics of high-energy hadronic and deep-inelastic diffraction. Using the saturation model of Golec-Biernat and Wuesthoff as an example, a simple explanation of geometrical scaling is presented. The relation between the QCD anomalous multiplicity dimension and the Pomeron intercept is discussed. (author)

  15. Inelastic neutron scattering and lattice dynamics of ZrO2, Y2O3 and ThSiO4

    International Nuclear Information System (INIS)

    Bose, Preyoshi P.; Mittal, R.; Choudhury, N.; Chaplot, S.L.

    2008-01-01

    Zirconia (ZrO 2 ), yttria (Y 2 O 3 ) and thorite (ThSiO 4 ) are ceramic materials used for a wide range of industrial applications. The dynamical properties of these materials are of interest as they exhibit numerous interesting phase transitions at high temperature and pressure. Using a combination of inelastic neutron scattering and theoretical lattice dynamics we have studied the phonon spectra and thermodynamic properties of these compounds. The experimental data validate the theoretical model, while the model enables microscopic interpretations of the observed data. The calculated thermodynamic properties are in good agreement with the experimental data. (author)

  16. Neutron scattering

    International Nuclear Information System (INIS)

    1991-02-01

    The annual report on hand gives an overview of the research work carried out in the Laboratory for Neutron Scattering (LNS) of the ETH Zuerich in 1990. Using the method of neutron scattering, it is possible to examine in detail the static and dynamic properties of the condensed material. In accordance with the multidisciplined character of the method, the LNS has for years maintained a system of intensive co-operation with numerous institutes in the areas of biology, chemistry, solid-state physics, crystallography and materials research. In 1990 over 100 scientists from more than 40 research groups both at home and abroad took part in the experiments. It was again a pleasure to see the number of graduate students present, who were studying for a doctorate and who could be introduced into the neutron scattering during their stay at the LNS and thus were in the position to touch on central ways of looking at a problem in their dissertation using this modern experimental method of solid-state research. In addition to the numerous and interesting ways of formulating the questions to explain the structure, nowadays the scientific programme increasingly includes particularly topical studies in connection with high temperature-supraconductors and materials research

  17. Elastic and inelastic light scattering from single bacterial spores in an optical trap allows the monitoring of spore germination dynamics

    OpenAIRE

    Peng, Lixin; Chen, De; Setlow, Peter; Li, Yong-qing

    2009-01-01

    Raman scattering spectroscopy and elastic light scattering intensity (ESLI) were used to simultaneously measure levels of Ca-dipicolinic acid (CaDPA) and changes in spore morphology and refractive index during germination of individual B. subtilis spores with and without the two redundant enzymes (CLEs), CwlJ and SleB, that degrade spores’ peptidoglycan cortex. Conclusions from these measurements include: 1) CaDPA release from individual wild-type germinating spores was biphasic; in a first h...

  18. Study of early laser-induced plasma dynamics: Transient electron density gradients via Thomson scattering and Stark Broadening, and the implications on laser-induced breakdown spectroscopy measurements

    International Nuclear Information System (INIS)

    Diwakar, P.K.; Hahn, D.W.

    2008-01-01

    To further develop laser-induced breakdown spectroscopy (LIBS) as an analytical technique, it is necessary to better understand the fundamental processes and mechanisms taking place during the plasma evolution. This paper addresses the very early plasma dynamics (first 100 ns) using direct plasma imaging, light scattering, and transmission measurements from a synchronized 532-nm probe laser pulse. During the first 50 ns following breakdown, significant Thomson scattering was observed while the probe laser interacted with the laser-induced plasma. The Thomson scattering was observed to peak 15-25 ns following plasma initiation and then decay rapidly, thereby revealing the highly transient nature of the free electron density and plasma equilibrium immediately following breakdown. Such an intense free electron density gradient is suggestive of a non-equilibrium, free electron wave generated by the initial breakdown and growth processes. Additional probe beam transmission measurements and electron density measurements via Stark broadening of the 500.1-nm nitrogen ion line corroborate the Thomson scattering observations. In concert, the data support the finding of a highly transient plasma that deviates from local thermodynamic equilibrium (LTE) conditions during the first tens of nanoseconds of plasma lifetime. The implications of this early plasma transient behavior are discussed in the context of plasma-analyte interactions and the role on LIBS measurements

  19. Measurement of high-dynamic range x-ray Thomson scattering spectra for the characterization of nano-plasmas at LCLS

    Energy Technology Data Exchange (ETDEWEB)

    MacDonald, M. J., E-mail: macdonm@umich.edu [University of Michigan, Ann Arbor, Michigan 48109 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Gorkhover, T. [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Technische Universität, 10623 Berlin (Germany); Bachmann, B.; Hau-Riege, S. P.; Pardini, T.; Döppner, T. [Lawrence Livermore National Laboratory, Livermore, California 94551 (United States); Bucher, M. [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Argonne National Lab, Lemont, Illinois 60439 (United States); Carron, S. [California Lutheran University, Thousand Oaks, California 91360 (United States); Coffee, R. N.; Fletcher, L. B.; Gamboa, E. J.; Glenzer, S. H.; Göde, S.; Krzywinski, J.; O’Grady, C. P.; Osipov, T.; Swiggers, M. [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Drake, R. P. [University of Michigan, Ann Arbor, Michigan 48109 (United States); Ferguson, K. R. [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Stanford University, Stanford, California 94305 (United States); Kraus, D. [University of California, Berkeley, California 94720 (United States); and others

    2016-11-15

    Atomic clusters can serve as ideal model systems for exploring ultrafast (∼100 fs) laser-driven ionization dynamics of dense matter on the nanometer scale. Resonant absorption of optical laser pulses enables heating to temperatures on the order of 1 keV at near solid density conditions. To date, direct probing of transient states of such nano-plasmas was limited to coherent x-ray imaging. Here we present the first measurement of spectrally resolved incoherent x-ray scattering from clusters, enabling measurements of transient temperature, densities, and ionization. Single shot x-ray Thomson scattering signals were recorded at 120 Hz using a crystal spectrometer in combination with a single-photon counting and energy-dispersive pnCCD. A precise pump laser collimation scheme enabled recording near background-free scattering spectra from Ar clusters with an unprecedented dynamic range of more than 3 orders of magnitude. Such measurements are important for understanding collective effects in laser-matter interactions on femtosecond time scales, opening new routes for the development of schemes for their ultrafast control.

  20. Challenging Patriarchy: Trade, outward migration and the internationalization of Commercial sex among Bayang and Ejagham women in Southwest Cameroon

    Directory of Open Access Journals (Sweden)

    Ngambouk Vitalis Pemunta

    2011-10-01

    Full Text Available This paper documents the specific local and global socio-economic forces that led to the outward migration of Bayang and Ejagham women to work as commercial sex workers on the Cameroon-Nigeria border regions in the 1980s and 1990s. It demonstrates that these women’s personal accumulation strategies are adaptative- drawing on time and space specific modes of capitalist accumulation and kinship systems of power. The intertwined nature of these forms of accumulation demonstrate that patriarchal forms of power and capitalist forms of accumulation in this region were not competitive, but rather complementary systems. This conjuncture also gave women the latitude to claim some form of sexual and economic agency, suggesting that at least in Africa, patriarchy as a power field is dynamic and relational, simultaneously opening up spaces for both resistance and agency.The impact of sex work is disproportionate since most women of our study were involved in subsistence sex, with the risk of exposure to violence and HIV/AIDS. These women nevertheless sought to reconfigure gender relations.

  1. Supply-demand balance in outward-directed networks and Kleiber's law

    Directory of Open Access Journals (Sweden)

    Painter Page R

    2005-11-01

    Full Text Available Abstract Background Recent theories have attempted to derive the value of the exponent α in the allometric formula for scaling of basal metabolic rate from the properties of distribution network models for arteries and capillaries. It has recently been stated that a basic theorem relating the sum of nutrient currents to the specific nutrient uptake rate, together with a relationship claimed to be required in order to match nutrient supply to nutrient demand in 3-dimensional outward-directed networks, leads to Kleiber's law (b = 3/4. Methods The validity of the supply-demand matching principle and the assumptions required to prove the basic theorem are assessed. The supply-demand principle is evaluated by examining the supply term and the demand term in outward-directed lattice models of nutrient and water distribution systems and by applying the principle to fractal-like models of mammalian arterial systems. Results Application of the supply-demand principle to bifurcating fractal-like networks that are outward-directed does not predict 3/4-power scaling, and evaluation of water distribution system models shows that the matching principle does not match supply to demand in such systems. Furthermore, proof of the basic theorem is shown to require that the covariance of nutrient uptake and current path length is 0, an assumption unlikely to be true in mammalian arterial systems. Conclusion The supply-demand matching principle does not lead to a satisfactory explanation for the approximately 3/4-power scaling of mammalian basal metabolic rate.

  2. New Insights into the Molecular Dynamics of P3HT:PCBM Bulk Heterojunction: A Time-of-Flight Quasi-Elastic Neutron Scattering Study.

    Science.gov (United States)

    Guilbert, Anne A Y; Zbiri, Mohamed; Jenart, Maud V C; Nielsen, Christian B; Nelson, Jenny

    2016-06-16

    The molecular dynamics of organic semiconductor blend layers are likely to affect the optoelectronic properties and the performance of devices such as solar cells. We study the dynamics (5-50 ps) of the poly(3-hexylthiophene) (P3HT): phenyl-C61-butyric acid methyl ester (PCBM) blend by time-of-flight quasi-elastic neutron scattering, at temperatures in the range 250-360 K, thus spanning the glass transition temperature region of the polymer and the operation temperature of an OPV device. The behavior of the QENS signal provides evidence for the vitrification of P3HT upon blending, especially above the glass transition temperature, and the plasticization of PCBM by P3HT, both dynamics occurring on the picosecond time scale.

  3. Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering

    Science.gov (United States)

    Vorberger, J.; Chapman, D. A.

    2018-01-01

    We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

  4. Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering.

    Science.gov (United States)

    Vorberger, J; Chapman, D A

    2018-01-01

    We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

  5. Nanosecond electric pulses differentially affect inward and outward currents in patch clamped adrenal chromaffin cells.

    Directory of Open Access Journals (Sweden)

    Lisha Yang

    Full Text Available This study examined the effect of 5 ns electric pulses on macroscopic ionic currents in whole-cell voltage-clamped adrenal chromaffin cells. Current-voltage (I-V relationships first established that the early peak inward current was primarily composed of a fast voltage-dependent Na+ current (INa, whereas the late outward current was composed of at least three ionic currents: a voltage-gated Ca2+ current (ICa, a Ca2+-activated K+ current (IK(Ca, and a sustained voltage-dependent delayed rectifier K+ current (IKV. A constant-voltage step protocol was next used to monitor peak inward and late outward currents before and after cell exposure to a 5 ns pulse. A single pulse applied at an electric (E-field amplitude of 5 MV/m resulted in an instantaneous decrease of ~4% in peak INa that then declined exponentially to a level that was ~85% of the initial level after 10 min. Increasing the E-field amplitude to 8 or 10 MV/m caused a twofold greater inhibitory effect on peak INa. The decrease in INa was not due to a change in either the steady-state inactivation or activation of the Na+ channel but instead was associated with a decrease in maximal Na+ conductance. Late outward current was not affected by a pulse applied at 5 MV/m. However, for a pulse applied at the higher E-field amplitudes of 8 and 10 MV/m, late outward current in some cells underwent a progressive ~22% decline over the course of the first 20 s following pulse exposure, with no further decline. The effect was most likely concentrated on ICa and IK(Ca as IKV was not affected. The results of this study indicate that in whole-cell patch clamped adrenal chromaffin cells, a 5 ns pulse differentially inhibits specific voltage-gated ionic currents in a manner that can be manipulated by tuning E-field amplitude.

  6. Scattering of a proton with the Li{sub 4} cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Castro, A., E-mail: acastro@bifi.es [Institute for Biocomputation and Physics of Complex Systems (BIFI) and Zaragoza Scientific Center for Advanced Modelling (ZCAM), University of Zaragoza, 50018 Zaragoza (Spain); Isla, M. [Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, 47005 Valladolid (Spain); Martinez, Jose I. [Departamento de Fisica Teorica de la Materia Condensada, Universidad Autonoma de Madrid, ES-28049 Madrid (Spain); Alonso, J.A. [Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, 47005 Valladolid (Spain)

    2012-05-03

    Graphical abstract: Two trajectories for the collision of a proton with the Lithium tetramer. On the left, the proton is scattered away, and a Li{sub 2} molecule plus two isolated Lithium atoms result. On the right, the proton is captured and a LiH molecule is created. Highlights: Black-Right-Pointing-Pointer Scattering of a proton with Lithium clusters described from first principles. Black-Right-Pointing-Pointer Description based on non-adiabatic molecular dynamics. Black-Right-Pointing-Pointer The electronic structure is described with time-dependent density-functional theory. Black-Right-Pointing-Pointer The method allows to discern reaction channels depending on initial parameters. - Abstract: We have employed non-adiabatic molecular dynamics based on time-dependent density-functional theory to characterize the scattering behavior of a proton with the Li{sub 4} cluster. This technique assumes a classical approximation for the nuclei, effectively coupled to the quantum electronic system. This time-dependent theoretical framework accounts, by construction, for possible charge transfer and ionization processes, as well as electronic excitations, which may play a role in the non-adiabatic regime. We have varied the incidence angles in order to analyze the possible reaction patterns. The initial proton kinetic energy of 10 eV is sufficiently high to induce non-adiabatic effects. For all the incidence angles considered the proton is scattered away, except in one interesting case in which one of the Lithium atoms captures it, forming a LiH molecule. This theoretical formalism proves to be a powerful, effective and predictive tool for the analysis of non-adiabatic processes at the nanoscale.

  7. Reactive scattering of H2 from Cu(100): comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment.

    Science.gov (United States)

    Sementa, L; Wijzenbroek, M; van Kolck, B J; Somers, M F; Al-Halabi, A; Busnengo, H F; Olsen, R A; Kroes, G J; Rutkowski, M; Thewes, C; Kleimeier, N F; Zacharias, H

    2013-01-28

    We present new experimental and theoretical results for reactive scattering of dihydrogen from Cu(100). In the new experiments, the associative desorption of H(2) is studied in a velocity resolved and final rovibrational state selected manner, using time-of-flight techniques in combination with resonance-enhanced multi-photon ionization laser detection. Average desorption energies and rotational quadrupole alignment parameters were obtained in this way for a number of (v = 0, 1) rotational states, v being the vibrational quantum number. Results of quantum dynamics calculations based on a potential energy surface computed with a specific reaction parameter (SRP) density functional, which was derived earlier for dihydrogen interacting with Cu(111), are compared with the results of the new experiments and with the results of previous molecular beam experiments on sticking of H(2) and on rovibrationally elastic and inelastic scattering of H(2) and D(2) from Cu(100). The calculations use the Born-Oppenheimer and static surface approximations. With the functional derived semi-empirically for dihydrogen + Cu(111), a chemically accurate description is obtained of the molecular beam experiments on sticking of H(2) on Cu(100), and a highly accurate description is obtained of rovibrationally elastic and inelastic scattering of D(2) from Cu(100) and of the orientational dependence of the reaction of (v = 1, j = 2 - 4) H(2) on Cu(100). This suggests that a SRP density functional derived for H(2) interacting with a specific low index face of a metal will yield accurate results for H(2) reactively scattering from another low index face of the same metal, and that it may also yield accurate results for H(2) interacting with a defected (e.g., stepped) surface of that same metal, in a system of catalytic interest. However, the description that was obtained of the average desorption energies, of rovibrationally elastic and inelastic scattering of H(2) from Cu(100), and of the

  8. Pregnancy causes diminished myogenic tone and outward hypotrophic remodeling of the cerebral vein of Galen.

    Science.gov (United States)

    van der Wijk, Anne-Eva; Schreurs, Malou P H; Cipolla, Marilyn J

    2013-04-01

    Pregnancy increases the risk of several complications associated with the cerebral veins, including thrombosis and hemorrhage. In contrast to the cerebral arteries and arterioles, few studies have focused on the effect of pregnancy on the cerebral venous side. Here, we investigated for the first time the effect of pregnancy on the function and structure of the cerebral vein of Galen in rats. Our major finding was that cerebral veins from late-pregnant (LP, n=11) rats had larger lumen diameters and thinner walls than veins from nonpregnant (NP, n=13) rats, indicating that pregnancy caused outward hypotrophic remodeling of the vein of Galen. Moreover, veins from NP animals had a small amount of myogenic tone at 10 mm Hg (3.9±1.0%) that was diminished in veins during pregnancy (0.8±0.3%; Ppregnancy. Using immunohistochemistry, we show that the vein of Galen receives perivascular innervation, and that serotonergic innervation of cerebral veins is significantly higher in veins from LP animals. Outward hypotrophic remodeling and diminished tone of cerebral veins during pregnancy may contribute to the development of venous pathology through elevated wall tension and wall stress, and possibly by promoting venous blood stasis.

  9. Elastin is a key regulator of outward remodeling in arteriovenous fistulas.

    Science.gov (United States)

    Wong, C Y; Rothuizen, T C; de Vries, M R; Rabelink, T J; Hamming, J F; van Zonneveld, A J; Quax, P H A; Rotmans, J I

    2015-04-01

    Maturation failure is the major limitation of arteriovenous fistulas (AVFs) as hemodialysis access conduits. Indeed, 30-50% of AVFs fail to mature due to intimal hyperplasia and insufficient outward remodeling. Elastin has emerged as an important determinant of vascular remodeling. Here the role of elastin in AVF remodeling in elastin haplodeficient (eln(+/-)) mice undergoing AVF surgery has been studied. Unilateral AVFs between the branch of the jugular vein and carotid artery in an end to side manner were created in wild-type (WT) C57BL/6 (n = 11) and in eln(+/-) mice (n = 9). Animals were killed at day 21 and the AVFs were analyzed histologically and at an mRNA level using real-time quantitative polymerase chain reaction. Before AVF surgery, a marked reduction in elastin density in the internal elastic lamina (IEL) of eln(+/-) mice was observed. AVF surgery resulted in fragmentation of the venous internal elastic lamina in both groups while the expression of the tropoelastin mRNA was 53% lower in the eln(+/-) mice than in WT mice (p elastin has an important role in vascular remodeling following AVF creation, in which a lower amount of elastin results in enhanced outward remodeling. Interventions targeting elastin degradation might be a viable option in order to improve AVF maturation. Copyright © 2015 European Society for Vascular Surgery. Published by Elsevier Ltd. All rights reserved.

  10. Outward Rectification of Voltage-Gated K+ Channels Evolved at Least Twice in Life History.

    Directory of Open Access Journals (Sweden)

    Janin Riedelsberger

    Full Text Available Voltage-gated potassium (K+ channels are present in all living systems. Despite high structural similarities in the transmembrane domains (TMD, this K+ channel type segregates into at least two main functional categories-hyperpolarization-activated, inward-rectifying (Kin and depolarization-activated, outward-rectifying (Kout channels. Voltage-gated K+ channels sense the membrane voltage via a voltage-sensing domain that is connected to the conduction pathway of the channel. It has been shown that the voltage-sensing mechanism is the same in Kin and Kout channels, but its performance results in opposite pore conformations. It is not known how the different coupling of voltage-sensor and pore is implemented. Here, we studied sequence and structural data of voltage-gated K+ channels from animals and plants with emphasis on the property of opposite rectification. We identified structural hotspots that alone allow already the distinction between Kin and Kout channels. Among them is a loop between TMD S5 and the pore that is very short in animal Kout, longer in plant and animal Kin and the longest in plant Kout channels. In combination with further structural and phylogenetic analyses this finding suggests that outward-rectification evolved twice and independently in the animal and plant kingdom.

  11. Moderate hypoxia influences potassium outward currents in adipose-derived stem cells.

    Directory of Open Access Journals (Sweden)

    Mayuri Prasad

    Full Text Available Moderate hypoxic preconditioning of adipose-derived stem cells (ASCs enhances properties such as proliferation and secretion of growth factors, representing a valuable strategy to increase the efficiency of cell-based therapies. In a wide variety of cells potassium (K+ channels are key elements involved in the cellular responses to hypoxia, suggesting that ASCs cultured under low oxygen conditions may display altered electrophysiological properties. Here, the effects of moderate hypoxic culture on proliferation, whole-cell currents, and ion channel expression were investigated using human ASCs cultured at 5% and 20% oxygen. Although cell proliferation was greatly enhanced, the dose-dependent growth inhibition by the K+ channel blocker tetraethylammonium (TEA was not significantly affected by hypoxia. Under both normoxic and hypoxic conditions, ASCs displayed outward K+ currents composed by Ca2+-activated, delayed rectifier, and transient components. Hypoxic culture reduced the slope of the current-voltage curves and caused a negative shift in the voltage activation threshold of the whole-cell currents. However, the TEA-mediated shift of voltage activation threshold was not affected by hypoxia. Semiquantitative real-time RT-PCR revealed that expression of genes encoding for various ion channels subunits related to oxygen sensing and proliferation remained unchanged after hypoxic culture. In conclusion, outward currents are influenced by moderate hypoxia in ASCs through a mechanism that is not likely the result of modulation of TEA-sensitive K+ channels.

  12. Room temperature single-crystal diffuse scattering and ab initio lattice dynamics in CaTiSiO5.

    Science.gov (United States)

    Gutmann, M J; Refson, K; Zimmermann, M V; Swainson, I P; Dabkowski, A; Dabkowska, H

    2013-08-07

    Single-crystal diffuse scattering data have been collected at room temperature on synthetic titanite using both neutrons and high-energy x-rays. A simple ball-and-springs model reproduces the observed diffuse scattering well, confirming its origin to be primarily due to thermal motion of the atoms. Ab initio phonons are calculated using density-functional perturbation theory and are shown to reproduce the experimental diffuse scattering. The observed diffuse x-ray and neutron scattering patterns are consistent with a summation of mode frequencies and displacement eigenvectors associated with the entire phonon spectrum, rather than with a simple, short-range static displacement. A band gap is observed between 600 and 700 cm(-1) with only two modes crossing this region, both associated with antiferroelectric Ti-O motion along a. One of these modes (of Bu symmetry), displays a large LO-TO mode-splitting (562-701.4 cm(-1)) and has a dominant component coming from Ti-O bond-stretching and, thus, the mode-splitting is related to the polarizability of the Ti-O bonds along the chain direction. Similar mode-splitting is observed in piezo- and ferroelectric materials. The calculated phonon dispersion model may be of use to others in future to understand the phase transition at higher temperatures, as well as in the interpretation of measured phonon dispersion curves.

  13. Doubly versus Singly Positively Charged Oxygen Ions Back-Scattering from a Silicon Surface under Dynamic O2+ Bombardment

    Czech Academy of Sciences Publication Activity Database

    Franzreb, K.; Williams, P.; Lörinčík, Jan; Šroubek, Zdeněk

    203-204, 1/4 (2003), s. 39-42 ISSN 0169-4332 Institutional research plan: CEZ:AV0Z2067918; CEZ:AV0Z4040901 Keywords : low-energy ion scattering * doubly charged ions * molecular orbital Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.284, year: 2003

  14. Hydrogen dynamics in Na3AlH6: A combined density functional theory and quasielastic neutron scattering study

    DEFF Research Database (Denmark)

    Zsigmond, G.; Manoshin, S.; Lieutenant, K.

    2007-01-01

    Handling of polarization became very important in simulations of neutron scattering. One of the very comprehensive and open-source neutron simulation package, VITESS, has been intensely involved in polarized neutron simulations. Several examples will be shown here. Another similar package NISP also...... contains polarization tools. McStas has implemented an initial set of routines handling polarization, as our examples will also show....

  15. Lattice dynamics of NaI studied by inelastic neutron scattering: absence of thermally induced discrete breathers

    Czech Academy of Sciences Publication Activity Database

    Kempa, Martin; Ondrejkovič, Petr; Bourges, P.; Márton, Pavel; Hlinka, Jiří

    2014-01-01

    Roč. 89, č. 5 (2014), "054308-1"-"054308-5" ISSN 1098-0121 R&D Projects: GA ČR GPP204/11/P404 Institutional support: RVO:68378271 Keywords : NaI * alkali halides * inelastic neutron scattering * discrete breathers Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  16. On the microstructure of organic solutions of mono-carboxylic acids: Combined study by infrared spectroscopy, small-angle neutron scattering and molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Eremin, Roman A., E-mail: era@jinr.ru [Joint Institute for Nuclear Research, Dubna 141980 (Russian Federation); Kholmurodov, Kholmirzo T. [Joint Institute for Nuclear Research, Dubna 141980 (Russian Federation); International University “Dubna”, Dubna 141980 (Russian Federation); Petrenko, Viktor I. [Joint Institute for Nuclear Research, Dubna 141980 (Russian Federation); Taras Shevchenko National University of Kyiv, Kyiv 03022 (Ukraine); Rosta, László [Wigner Research Centre for Physics, Hungarian Academy of Sciences, Budapest H-1525 (Hungary); Grigoryeva, Natalia A. [Faculty of Physics, Saint-Petersburg State University, 198504 Saint-Petersburg (Russian Federation); Avdeev, Mikhail V. [Joint Institute for Nuclear Research, Dubna 141980 (Russian Federation)

    2015-11-05

    Highlights: • The model of the scattering particle for a reliable SANS analysis is proposed. • The structural parameters of saturated mono-carboxylic acids in solutions are obtained. • The differences in nematic transitions correlate to solvation peculiarities. - Abstract: The data of infrared spectroscopy (IR), molecular dynamics (MD) simulations and small-angle neutron scattering (SANS) have been combined to conclude about the nanoscale structural organization of organic non-polar solutions of saturated mono-carboxylic acids with different alkyl chain lengths for diluted solutions of saturated myristic (C14) and stearic (C18) acids in benzene and decalin. In particular, the degree of dimerization was found from the IR spectra. The structural anisotropy of the acids and their dimers was used in the treatment of the data of MD simulations to describe the solute–solvent interface in a cylindrical approximation and show its rather strong influence on SANS. The corresponding scattering length density profiles were used to fit the experimental SANS data comprising the information about the acid molecule isomerization. The SANS data from concentrated solutions showed a partial self-assembling of the acids within the nematic transition is different for two solvents due to lyophobic peculiarities.

  17. Dynamics of a bright soliton in Bose-Einstein condensates with time-dependent atomic scattering length in an expulsive parabolic potential

    International Nuclear Information System (INIS)

    Liang, Z.X.; Zhang, Z.D.; Liu, W.M.

    2005-01-01

    We present a family of exact solutions of the one-dimensional nonlinear Schroedinger equation which describes the dynamics of a bright soliton in Bose-Einstein condensates with the time-dependent interatomic interaction in an expulsive parabolic potential. Our results show that, under a safe range of parameters, the bright soliton can be compressed into very high local matter densities by increasing the absolute value of the atomic scattering length, which can provide an experimental tool for investigating the range of validity of the one-dimensional Gross-Pitaevskii equation. We also find that the number of atoms in the bright soliton keeps dynamic stability: a time-periodic atomic exchange is formed between the bright soliton and the background

  18. Re-evaluation of the neutron scattering dynamics in heavy water, generation of multigroup cross sections for THERM-126

    International Nuclear Information System (INIS)

    Keinert, J.

    1982-06-01

    In providing THERM-126 with cross section matrices for deuterium bound in heavy water the IKE phonon spectrum was reevaluated. The changes are modifications in the acoustic part and in the frequency of the second oscillator. Contrary to the phonon spectrum model for D in D 2 O in ENDF/B-IV the broad band of hindered rotations is assumed to be temperature dependent taking into account the diffusive motion of the molecule. With the new model scattering law data S (α, β) are generated in the temperature range 293.6 K-673.6 K. The THERM-126 scattering cross section matrices are calculated up to P 3 . As a validity check a lot of differential and integral cross sections are compared to experiments and benchmarks are recalculated. (orig.) [de

  19. Structural and dynamical study about denatured states of yeast phosphoglycerate kinase by neutrons scattering and X-rays

    International Nuclear Information System (INIS)

    Receveur, V.

    1997-01-01

    During a long time, the neutron scattering and X-rays techniques have not been used for the studies bearing on the folding of proteins. The compactness and the globularness of a protein are two structural characteristics describing the denatured states and the intermediate states of folding, and the neutrons and x-rays scattering are probably the two techniques the most appropriate to give this kind of information; they are sensible to the spatial extent and to the molecules compactness, and to their general shape. For these three or four last years, the works using these techniques are increasing, giving precious knowledge on the different steps of folding and on the interactions stabilizing the denatured or intermediate states. This thesis falls into this category. (N.C.)

  20. Magnetic field dependence of static correlations and spin dynamics of reentrant spin glasses studied by neutron scattering

    International Nuclear Information System (INIS)

    Hennion, M.; Hennion, B.; Mirebeau, I.; Lequien, S.; Hippert, F.

    1988-01-01

    We report small angle (SANS) and inelastic neutron scattering in zero and applied field for a-FeMn, NiMn and AuFe at composition where both ferromagnetic and frustration characters occur. We discuss the field evolution of the transverse correlations which arise below T c . A study of the field sensitivity of the spin wave anomalies in a-FeMn is reported

  1. Water structure as a function of temperature from X-ray scattering experiments and ab initio molecular dynamics

    International Nuclear Information System (INIS)

    Hura, Greg; Russo, Daniela; Glaeser, Robert M.; Head-Gordon, Teresa; Krack, Matthias; Parrinello, Michele

    2003-01-01

    We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with classical water models. The simulation of the experimental intensity is therefore definitive for determining radial distribution functions over a smaller Q-range. We find that the TIP4P, TIP5P and polarizable TIP4P-Pol2 water models, with DFT-LDA densities, show very good agreement with the experimental intensities, and TIP4P-Pol2 in particular shows quantitative agreement over the full temperature range. The resulting radial distribution functions from TIP4P-Pol2 provide the current best benchmarks for real-space water structure over the biologically relevant temperature range studied here

  2. High-speed single-shot optical focusing through dynamic scattering media with full-phase wavefront shaping

    Science.gov (United States)

    Hemphill, Ashton S.; Shen, Yuecheng; Liu, Yan; Wang, Lihong V.

    2017-11-01

    In biological applications, optical focusing is limited by the diffusion of light, which prevents focusing at depths greater than ˜1 mm in soft tissue. Wavefront shaping extends the depth by compensating for phase distortions induced by scattering and thus allows for focusing light through biological tissue beyond the optical diffusion limit by using constructive interference. However, due to physiological motion, light scattering in tissue is deterministic only within a brief speckle correlation time. In in vivo tissue, this speckle correlation time is on the order of milliseconds, and so the wavefront must be optimized within this brief period. The speed of digital wavefront shaping has typically been limited by the relatively long time required to measure and display the optimal phase pattern. This limitation stems from the low speeds of cameras, data transfer and processing, and spatial light modulators. While binary-phase modulation requiring only two images for the phase measurement has recently been reported, most techniques require at least three frames for the full-phase measurement. Here, we present a full-phase digital optical phase conjugation method based on off-axis holography for single-shot optical focusing through scattering media. By using off-axis holography in conjunction with graphics processing unit based processing, we take advantage of the single-shot full-phase measurement while using parallel computation to quickly reconstruct the phase map. With this system, we can focus light through scattering media with a system latency of approximately 9 ms, on the order of the in vivo speckle correlation time.

  3. Electron Dynamics in the Core-Excited CS 2 Molecule Revealed through Resonant Inelastic X-Ray Scattering Spectroscopy

    OpenAIRE

    Marchenko , T; Carniato , S; Journel , L; Guillemin , R; Kawerk , E; Žitnik , M; Kavčič , M; Bučar , K; Bohinc , R; Petric , M; Vaz Da Cruz , V; Gel 'mukhanov , F; Simon , Marielle

    2015-01-01

    International audience; We present an experimental and theoretical study of resonant inelastic x-ray scattering (RIXS) in the carbon disulphide CS 2 molecule near the sulfur K-absorption edge. We observe a strong evolution of the RIXS spectral profile with the excitation energy tuned below the lowest unoccupied molecular orbital (LUMO) absorption resonance. The reason for this is twofold. Reducing the photon energy in the vicinity of the LUMO absorption resonance leads to a relative suppressi...

  4. China’s Outward FDI in Africa: Enterprises with Different Ownership Types

    Directory of Open Access Journals (Sweden)

    Hai-Tao Tsao

    2015-08-01

    Full Text Available The purpose of this paper is to discuss the consequences of China’s outward direct investments in Africa in terms of enterprises with different ownership types. First, this paper contributes to the examination of a large number of Chinese enterprises’ investment projects in Africa. Second, in addition to the investment activities of central state-owned enterprises, investment activities initiated by local state-owned enterprises and private enterprises are also addressed in this paper. Third, this paper demonstrates the diversity ofChinese investment in Africa through the discussion of a large number of cases. We find that the motives of central state-owned enterprises comply with government policies. However, most private enterprises and non-central state-owned enterprises invest in Africa for profit considerations. This paper concludes that China’s investments in Africa are diverse and complex and cannot be explained using a single model of the extant theories.

  5. Physiological roles of the transient outward current Ito in normal and diseased hearts

    DEFF Research Database (Denmark)

    Cordeiro, Jonathan M.; Callø, Kirstine; Aschar-Sobbi, Roozbeh

    2016-01-01

    The Ca2+-independent transient outward K+ current (Ito) plays a critical role in underlying phase 1 of repolarization of the cardiac action potential and, as a result, is central to modulating excitation-contraction coupling and propensity for arrhythmia. Additionally, Ito and its molecular...... potential and the mechanisms by which Ito modulates excitation-contraction coupling. We also describe the effects of mutations in the subunits constituting the Ito channel as well as the role of Ito in the failing myocardium. Finally, we review pharmacological modulation of Ito and discuss the evidence...... constituents are consistently reduced in cardiac hypertrophy and heart failure. In this review, we discuss the physiological role of Ito as well as the molecular basis of this current in human and canine hearts, in which Ito has been thoroughly studied. In particular, we discuss the role of Ito in the action...

  6. A critical revision of the empirical literature on Chinese outward investment: A new proposal

    Directory of Open Access Journals (Sweden)

    Rodríguez Carlos

    2011-01-01

    Full Text Available Research on China’s role in the globalization of economic activity focuses mainly on its involvement in trade and on its competitiveness as a manufacturing location for foreign investors. However, since the mid-1990s China’s outward foreign direct investment (OFDI has become an important part of its integration into the global economy. This dimension is poorly understood, and few empirical studies about the drivers behind Chinese OFDI have been published thus far. After reviewing critically the empirical literature, which provides ambiguous results about the explanatory power of some of the large list of determinants put forward, we aim to provide a more accurate description of the motives behind Chinese OFDI. Using a panel data approach for the period 1995 to 2009 and for a large host country sample, we identify some key drivers. We find that host market size, natural resources and FDI openness are of paramount relevance. However, the asset seeking hypothesis is not confirmed.

  7. Red Trojan Horses? A New Look at Chinese SOEs' Outward Investment

    Directory of Open Access Journals (Sweden)

    Yang Jiang

    2014-04-01

    Full Text Available How dangerous is Chinese outward foreign direct investment (OFDI because of the state's influence over business, particularly state-owned enterprises (SOEs? To what extent are business and politics interwoven in Chinese investment decisions? Crucial knowledge is lacking on the relationship between the state and companies in China's OFDI. This study does not claim to completely refute the conventional view that Chinese companies, particularly SOEs, are controlled by the state in their OFDI activities. However, it tries to provide some evidence that suggests the need for a revised look at them. It argues that although Chinese SOEs are supported by Chinese diplomacy and loans in their OFDI and have a tacit understanding of certain strategic goals of the state, they enjoy autonomy to make business decisions and have prioritized maximizing their own business interests. Importantly, this is enabled by the state's view that the profit of SOEs is consistent with national interests.

  8. Direct measurement of conformational strain energy in protofilaments curling outward from disassembling microtubule tips.

    Science.gov (United States)

    Driver, Jonathan W; Geyer, Elisabeth A; Bailey, Megan E; Rice, Luke M; Asbury, Charles L

    2017-06-19

    Disassembling microtubules can generate movement independently of motor enzymes, especially at kinetochores where they drive chromosome motility. A popular explanation is the 'conformational wave' model, in which protofilaments pull on the kinetochore as they curl outward from a disassembling tip. But whether protofilaments can work efficiently via this spring-like mechanism has been unclear. By modifying a previous assay to use recombinant tubulin and feedback-controlled laser trapping, we directly demonstrate the spring-like elasticity of curling protofilaments. Measuring their mechanical work output suggests they carry ~25% of the energy of GTP hydrolysis as bending strain, enabling them to drive movement with efficiency similar to conventional motors. Surprisingly, a β-tubulin mutant that dramatically slows disassembly has no effect on work output, indicating an uncoupling of disassembly speed from protofilament strain. These results show the wave mechanism can make a major contribution to kinetochore motility and establish a direct approach for measuring tubulin mechano-chemistry.

  9. KChIP2 genotype dependence of transient outward current (Ito) properties in cardiomyocytes isolated from male and female mice.

    Science.gov (United States)

    Waldschmidt, Lara; Junkereit, Vera; Bähring, Robert

    2017-01-01

    The transient outward current (Ito) in cardiomyocytes is largely mediated by Kv4 channels associated with Kv Channel Interacting Protein 2 (KChIP2). A knockout model has documented the critical role of KChIP2 in Ito expression. The present study was conducted to characterize in both sexes the dependence of Ito properties, including current magnitude, inactivation kinetics, recovery from inactivation and voltage dependence of inactivation, on the number of functional KChIP2 alleles. For this purpose we performed whole-cell patch-clamp experiments on isolated left ventricular cardiomyocytes from male and female mice which had different KChIP2 genotypes; i.e., wild-type (KChIP2+/+), heterozygous knockout (KChIP2+/-) or complete knockout of KChIP2 (KChIP2-/-). We found in both sexes a KChIP2 gene dosage effect (i.e., a proportionality between number of alleles and phenotype) on Ito magnitude, however, concerning other Ito properties, KChIP2+/- resembled KChIP2+/+. Only in the total absence of KChIP2 (KChIP2-/-) we observed a slowing of Ito kinetics, a slowing of recovery from inactivation and a negative shift of a portion of the voltage dependence of inactivation. In a minor fraction of KChIP2-/- myocytes Ito was completely lost. The distinct KChIP2 genotype dependences of Ito magnitude and inactivation kinetics, respectively, seen in cardiomyocytes were reproduced with two-electrode voltage-clamp experiments on Xenopus oocytes expressing Kv4.2 and different amounts of KChIP2. Our results corroborate the critical role of KChIP2 in controlling Ito properties. They demonstrate that the Kv4.2/KChIP2 interaction in cardiomyocytes is highly dynamic, with a clear KChIP2 gene dosage effect on Kv4 channel surface expression but not on inactivation gating.

  10. Application of ultra-small-angle X-ray scattering / X-ray photon correlation spectroscopy to relate equilibrium or non-equilibrium dynamics to microstructure

    Science.gov (United States)

    Allen, Andrew; Zhang, Fan; Levine, Lyle; Ilavsky, Jan

    2013-03-01

    Ultra-small-angle X-ray scattering (USAXS) can probe microstructures over the nanometer-to-micrometer scale range. Through use of a small instrument entrance slit, X-ray photon correlation spectroscopy (XPCS) exploits the partial coherence of an X-ray synchrotron undulator beam to provide unprecedented sensitivity to the dynamics of microstructural change. In USAXS/XPCS studies, the dynamics of local structures in a scale range of 100 nm to 1000 nm can be related to an overall hierarchical microstructure extending from 1 nm to more than 1000 nm. Using a point-detection scintillator mode, the equilibrium dynamics at ambient temperature of small particles (which move more slowly than nanoparticles) in aqueous suspension have been quantified directly for the first time. Using a USAXS-XPCS scanning mode for non-equilibrium dynamics incipient processes within dental composites have been elucidated, prior to effects becoming detectable using any other technique. Use of the Advanced Photon Source, an Office of Science User Facility operated for the United States Department of Energy (U.S. DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357.

  11. Temperature and momentum transfer dependence of the dynamics of the α-relaxation in polymer melts. A quasielastic neutron scattering study

    Science.gov (United States)

    Colmenero, J.; Alegría, A.; Arbe, A.; Frick, B.

    1992-12-01

    The dynamics of the α-relaxation in three glass-forming polymeric systems, poly(vinyl methyl ether) (PVME), poly(vinyl chloride) (PVC), and poly(bisphenol A, 2-hydroxypropylether) (PH) has been studied by means of quasielastic neutron scattering and compared with the results obtained from relaxation techniques. The results indicate that the dynamics of the α-relaxation in a wide timescale shows a clear non-Debye behaviour and can be well described by means of the same spectral shape, which is found to be independent of temperature and momentum transfer ( Q). Moreover, the Havriliak-Negami characteristic times deduced from the fitting of the experimental data can also be described using only one Vogel-Fulcher functional form. This implies a self-consistent description of the dynamics of the α-relaxation obtained by very different probes. Besides, we found that the Q-dependence of the characteristic times obtained by QENS is given by a power law, τ(Q) ∝ Q - n ( n > 2), n being dependent on the system, and that the Q-behaviour and the non-Debye behaviour are directly correlated. These results have main implications about the physical mechanisms behind the dynamics of the α-relaxation.

  12. A POSSIBLE DIVOT IN THE SIZE DISTRIBUTION OF THE KUIPER BELT'S SCATTERING OBJECTS

    Energy Technology Data Exchange (ETDEWEB)

    Shankman, C.; Gladman, B. J. [Department of Physics and Astronomy, University of British Columbia, 6224 Agriculture Road, Vancouver, BC V6T 1Z1 (Canada); Kaib, N. [Department of Physics and Astronomy, Queens University (Canada); Kavelaars, J. J. [National Research Council of Canada, Victoria, BC V9E 2E7 (Canada); Petit, J. M. [Institut UTINAM, CNRS-Universite de Franche-Comte, Besancon (France)

    2013-02-10

    Via joint analysis of a calibrated telescopic survey, which found scattering Kuiper Belt objects, and models of their expected orbital distribution, we explore the scattering-object (SO) size distribution. Although for D > 100 km the number of objects quickly rise as diameters decrease, we find a relative lack of smaller objects, ruling out a single power law at greater than 99% confidence. After studying traditional ''knees'' in the size distribution, we explore other formulations and find that, surprisingly, our analysis is consistent with a very sudden decrease (a divot) in the number distribution as diameters decrease below 100 km, which then rises again as a power law. Motivated by other dynamically hot populations and the Centaurs, we argue for a divot size distribution where the number of smaller objects rises again as expected via collisional equilibrium. Extrapolation yields enough kilometer-scale SOs to supply the nearby Jupiter-family comets. Our interpretation is that this divot feature is a preserved relic of the size distribution made by planetesimal formation, now ''frozen in'' to portions of the Kuiper Belt sharing a ''hot'' orbital inclination distribution, explaining several puzzles in Kuiper Belt science. Additionally, we show that to match today's SO inclination distribution, the supply source that was scattered outward must have already been vertically heated to the of order 10 Degree-Sign .

  13. Nuclear Compton scattering

    International Nuclear Information System (INIS)

    Christillin, P.

    1986-01-01

    The theory of nuclear Compton scattering is reformulated with explicit consideration of both virtual and real pionic degrees of freedom. The effects due to low-lying nuclear states, to seagull terms, to pion condensation and to the Δ dynamics in the nucleus and their interplay in the different energy regions are examined. It is shown that all corrections to the one-body terms, of diffractive behaviour determined by the nuclear form factor, have an effective two-body character. The possibility of using Compton scattering as a complementary source of information about nuclear dynamics is restressed. (author)

  14. The transient outward current in mice lacking the potassium channel gene Kv1.4

    Science.gov (United States)

    London, Barry; Wang, Dao W; Hill, Joseph A; Bennett, Paul B

    1998-01-01

    The transient outward current (Ito) plays a prominent role in the repolarization phase of the cardiac action potential. Several K+ channel genes, including Kv1.4, are expressed in the heart, produce rapidly inactivating currents when heterologously expressed, and may be the molecular basis of Ito.We engineered mice homozygous for a targeted disruption of the K+ channel gene Kv1.4 and compared Ito in wild-type (Kv1.4+/+), heterozygous (Kv1.4+/-) and homozygous ‘knockout’ (Kv1.4−/−) mice. Kv1.4 RNA was truncated in Kv1.4−/− mice and protein expression was absent.Adult myocytes isolated from Kv1.4+/+, Kv1.4+/− and Kv1.4−/− mice had large rapidly inactivating outward currents. The peak current densities at 60 mV (normalized by cellular capacitance, in pA pF−1; means ± s.e.m.) were 53.8 ± 5.3, 45.3 ± 2.2 and 44.4 ± 2.8 in cells from Kv1.4+/+, Kv1.4+/− and Kv1.4−/− mice, respectively (P mice.The voltage dependence and time course of inactivation were not changed by targeted disruption of Kv1.4. The mean best-fitting V½ (membrane potential at 50 % inactivation) values for myocytes from Kv1.4 +/+, Kv1.4+/− and Kv1.4−/− mice were -53.5 ± 3.7, -51.1 ± 2.6 and -54.2 ± 2.4 mV, respectively. The slope factors (k) were -10.1 ± 1.4, -8.8 ± 1.4 and -9.5 ± 1.2 mV, respectively. The fast time constants for development of inactivation at -30 mV were 27.8 ± 2.2, 26.2 ± 5.1 and 19.6 ± 2.1 ms in Kv1.4+/+, Kv1.4+/− and Kv1.4−/− myocytes, respectively. At +30 mV, they were 35.5 ± 2.6, 30.0 ± 2.1 and 28.7 ± 1.6 ms, respectively. The time constants for the rapid phase of recovery from inactivation at -80 mV were 32.5 ± 8.2, 23.3 ± 1.8 and 39.0 ± 3.7 ms, respectively.Nearly the entire inactivating component as well as more than 60 % of the steady-state outward current was eliminated by 1 mm 4-aminopyridine in Kv1.4+/+, Kv1.4+/− and Kv1.4−/− myocytes.Western blot analysis of heart membrane extracts showed no significant

  15. Dynamics of the Peripheral Membrane Protein P2 from Human Myelin Measured by Neutron Scattering--A Comparison between Wild-Type Protein and a Hinge Mutant.

    Directory of Open Access Journals (Sweden)

    Saara Laulumaa

    Full Text Available Myelin protein P2 is a fatty acid-binding structural component of the myelin sheath in the peripheral nervous system, and its function is related to its membrane binding capacity. Here, the link between P2 protein dynamics and structure and function was studied using elastic incoherent neutron scattering (EINS. The P38G mutation, at the hinge between the β barrel and the α-helical lid, increased the lipid stacking capacity of human P2 in vitro, and the mutated protein was also functional in cultured cells. The P38G mutation did not change the overall structure of the protein. For a deeper insight into P2 structure-function relationships, information on protein dynamics in the 10 ps to 1 ns time scale was obtained using EINS. Values of mean square displacements mainly from protein H atoms were extracted for wild-type P2 and the P38G mutant and compared. Our results show that at physiological temperatures, the P38G mutant is more dynamic than the wild-type P2 protein, especially on a slow 1-ns time scale. Molecular dynamics simulations confirmed the enhanced dynamics of the mutant variant, especially within the portal region in the presence of bound fatty acid. The increased softness of the hinge mutant of human myelin P2 protein is likely related to an enhanced flexibility of the portal region of this fatty acid-binding protein, as well as to its interactions with the lipid bilayer surface requiring conformational adaptations.

  16. Hydrogen bond dynamics and water structure in glucose-water solutions by depolarized Rayleigh scattering and low-frequency Raman spectroscopy

    Science.gov (United States)

    Paolantoni, Marco; Sassi, Paola; Morresi, Assunta; Santini, Sergio

    2007-07-01

    The effect of glucose on the relaxation process of water at picosecond time scales has been investigated by depolarized Rayleigh scattering (DRS) experiments. The process is assigned to the fast hydrogen bonding dynamics of the water network. In DRS spectra this contribution can be safely separated from the slower relaxation process due to the sugar. The detected relaxation time is studied at different glucose concentrations and modeled considering bulk and hydrating water contributions. As a result, it is found that in diluted conditions the hydrogen bond lifetime of proximal water molecules becomes about three times slower than that of the bulk. The effect of the sugar on the hydrogen bond water structure is investigated by analyzing the low-frequency Raman (LFR) spectrum sensitive to intermolecular modes. The addition of glucose strongly reduces the intensity of the band at 170cm-1 assigned to a collective stretching mode of water molecules arranged in cooperative tetrahedral domains. These findings indicate that proximal water molecules partially lose the tetrahedral ordering typical of the bulk leading to the formation of high density environments around the sugar. Thus the glucose imposes a new local order among water molecules localized in its hydration shell in which the hydrogen bond breaking dynamics is sensitively retarded. This work provides new experimental evidences that support recent molecular dynamics simulation and thermodynamics results.

  17. Synergistic enhancement of micro-bubble formation in ultrasound irradiated H2O-CH3OH mixtures probed by dynamic light scattering

    International Nuclear Information System (INIS)

    Pai, M.R.; Hassan, P.A.; Bharadwaj, S.R.; Kulshreshtha, S.K.

    2008-01-01

    This report investigates the formation of micro-bubbles in water-methanol mixtures upon ultrasound irradiation and its correlation with the yield of H 2 obtained as a result of sono-chemical splitting of water. The yield of hydrogen produced by sono-chemical reaction is monitored at different compositions of water-methanol mixtures. The evidence for the formation of micro-bubbles upon ultrasound irradiation is obtained by the dynamic light scattering technique. Micro-bubble formation during ultrasound irradiation of water-methanol mixtures, their stability and size distribution, has been quantitatively estimated. The effect of composition of the water-methanol mixture and duration of irradiation on the extent of bubble formation has been inferred from the changes in the light scattering intensity and its time correlation function. Exceptional stability of micro-bubbles without any additives is observed at a certain composition of the water-methanol mixture (4:3, v/v). The extent of micro-bubbles formed in the mixture correlates well with the yield of hydrogen detected. (authors)

  18. Self-motion and the α-relaxation in glass-forming polymers. Molecular dynamic simulation and quasielastic neutron scattering results in polyisoprene

    International Nuclear Information System (INIS)

    Colmenero, Juan; Arbe, Arantxa; Alvarez, Fernando; Monkenbusch, Michael; Richter, Dieter; Farago, Bela; Frick, Bernhard

    2003-01-01

    The momentum transfer dependence of the self-motion of main chain hydrogens in the α-relaxation regime of a glass forming polymer, polyisoprene, has been thoroughly investigated by a combined effort involving fully atomistic molecular dynamic simulations and quasielastic neutron scattering measurements. In this way, we have established the existence of a crossover from a Gaussian regime of sublinear diffusion to a strongly non-Gaussian regime at short distances. We show that an anomalous jump diffusion model with a distribution of jump lengths gives rise to such a crossover. This model leads to a time-dependent non-Gaussian parameter exhibiting all features revealed so far from various simulations of different glass forming systems

  19. Study of ammonia dynamics in mixed crystals K1-x(NH4)xHal (Hal = Cl, Br, I) by the inelastic neutron scattering

    International Nuclear Information System (INIS)

    Natkanets, I.; Smirnov, L.S.; Solov'ev, A.I.; )

    1997-01-01

    The investigation of the dynamics of ammonium ion in the disordered α-phase of mixed crystals K 1-x (NH 4 ) x Hal (Hal = Cl, Br, I) is carried out by the inelastic incoherent neutron scattering (IINS) method. IINS spectra are measured in the 2-200 meV energy range and the 10-300 K temperature range by the time-of-flight method. The generalized densities of phonon states are defined in the single-phonon approximation. It is found out that the libration mode of ammonium ion has the weak concentration dependence. Resonant modes are observed at low temperature for all concentration range of the existence of the disordered α-phase. The broadening of resonant modes at the expensive of the jump rotation diffusion of ammonium ions takes place at temperature above 10 K [ru

  20. Spin-wave dynamics and exchange interactions in multiferroic NdFe3(BO3)4 explored by inelastic neutron scattering

    Science.gov (United States)

    Golosovsky, I. V.; Ovsyanikov, A. K.; Aristov, D. N.; Matveeva, P. G.; Mukhin, A. A.; Boehm, M.; Regnault, L.-P.; Bezmaternykh, L. N.

    2018-04-01

    Magnetic excitations and exchange interactions in multiferroic NdFe3(BO3)4 were studied by inelastic neutron scattering in the phase with commensurate antiferromagnetic structure. The observed spectra were analyzed in the frame of the linear spin-wave theory. It was shown that only the model, which includes the exchange interactions within eight coordination spheres, describes satisfactorily all observed dispersion curves. The calculation showed that the spin-wave dynamics is governed by the strongest antiferromagnetic intra-chain interaction and three almost the same inter-chain interactions. Other interactions, including ferromagnetic exchange, appeared to be insignificant. The overall energy balance of the antiferromagnetic inter-chain exchange interactions, which couple the moments from the adjacent ferromagnetic layers as well as within a layer, stabilizes ferromagnetic arrangement in the latter. It demonstrates that the pathway geometry plays a crucial role in forming of the magnetic structure.

  1. The dynamics of ammonium ions in K1-x(NH4)xCl mixed crystals by the neutron scattering study

    International Nuclear Information System (INIS)

    Smirnov, L.S.; Natkanets, I.; Shuvalov, L.A.; Dolbinina, V.V.

    2004-01-01

    The study of vibrational spectrum of the K 1-x (NH 4 ) x Cl mixed crystals in a dynamically disordered cubic α-phase at 10 K is carried out by means of inelastic incoherent neutron scattering on the NERA-PR time-of-flight spectrometer set at the IBR-2 reactor (JINR, Dubna). It is shown that low-energy modes of ammonium ions with the energies 19-23 and 62-63 cm -1 at 10 K are observed only within the disordered cubic α-phase and are absent in the ordered cubic δ-phase of NH 4 Cl. The energies of local translation and libration modes of ammonium ions are determined in the α- and δ-phases of the K 1-x (NH 4 ) x Cl mixed crystals

  2. Elastic and inelastic light scattering from single bacterial spores in an optical trap allows the monitoring of spore germination dynamics

    Science.gov (United States)

    Peng, Lixin; Chen, De; Setlow, Peter; Li, Yong-qing

    2009-01-01

    Raman scattering spectroscopy and elastic light scattering intensity (ESLI) were used to simultaneously measure levels of Ca-dipicolinic acid (CaDPA) and changes in spore morphology and refractive index during germination of individual B. subtilis spores with and without the two redundant enzymes (CLEs), CwlJ and SleB, that degrade spores’ peptidoglycan cortex. Conclusions from these measurements include: 1) CaDPA release from individual wild-type germinating spores was biphasic; in a first heterogeneous slow phase, Tlag, CaDPA levels decreased ∼15% and in the second phase ending at Trelease, remaining CaDPA was released rapidly; 2) in L-alanine germination of wild-type spores and spores lacking SleB: a) the ESLI rose ∼2-fold shortly before Tlag at T1; b) following Tlag, the ESLI again rose ∼2-fold at T2 when CaDPA levels had decreased ∼50%; and c) the ESLI reached its maximum value at ∼Trelease and then decreased; 3) in CaDPA germination of wild-type spores: a) Tlag increased and the first increase in ESLI occurred well before Tlag, consistent with different pathways for CaDPA and L-alanine germination; b) at Trelease the ESLI again reached its maximum value; 4) in L-alanine germination of spores lacking both CLEs and unable to degrade their cortex, the time ΔTrelease (Trelease–Tlag) for excretion of ≥75% of CaDPA was ∼15-fold higher than that for wild-type or sleB spores; and 5) spores lacking only CwlJ exhibited a similar, but not identical ESLI pattern during L-alanine germination to that seen with cwlJ sleB spores, and the high value for ΔTrelease. PMID:19374431

  3. City Kids in the Wilderness: A Pilot-Test of Outward Bound for Foster Care Group Home Youth.

    Science.gov (United States)

    Fischer, Robert L.; Attah, E. B.

    2001-01-01

    A study examined perceptions of a 7-day Outward Bound program among 23 urban youths, foster parents, and foster care workers from group homes in Atlanta (Georgia). Foster parents reported improved self-esteem and behavior among the teens, but foster care workers reported worse behavior. Negative program impressions lessened among male youths but…

  4. Maintaining an outward image: a Korean immigrant's life with type 2 diabetes mellitus and hypertension.

    Science.gov (United States)

    Pistulka, Gina M; Winch, Peter J; Park, Hyunjeong; Han, Hae-Ra; Kim, Miyong T

    2012-06-01

    Type 2 diabetes mellitus (DM) and hypertension (HTN) disproportionately affect minority populations in the United States, including Korean American immigrants (KAI). We conducted qualitative interviews with middle-aged KAI in Maryland living with DM and HTN to examine the illness experience to inform future intervention strategies. Study results show that participants utilized strategies to maintain respect and Korean identity, including an image of being healthy and in control of their behavior in the public arena. These strategies included the lack of disclosure of their illness, even to family members, and avoiding outside assistance when engaging in problem solving. Maintaining an outward image of health was a common goal that affected the self-care of KAI in this study, a finding that might prove significant in the management of other chronic illnesses affecting this population. The study findings demonstrate the importance of in-depth understanding of specific populations when treating chronic illness, and caretakers' sensitivity to each population's unique cultural issues regarding identity, image, and disclosure.

  5. Permian-Triassic Tethyan realm reorganization: Implications for the outward Pangea margin

    Science.gov (United States)

    Riel, Nicolas; Jaillard, Etienne; Martelat, Jean-Emmanuel; Guillot, Stéphane; Braun, Jean

    2018-01-01

    We present a new conceptual model to explain the first order Permian-Triassic evolution of the whole > 30 000 km long Pangea margin facing the Panthalassa ocean. Compilation of available geological, geochemical, geochronogical and paleomagnetic data all along this system allowed us to distinguish three part of the margin: western Laurentia, western Gondwana and eastern Gondwana. These segments record distinct tectonic and magmatic events, which all occur synchronously along the whole margin and correlate well with the main geodynamic events of this period, i.e. subduction of the Paleotethys mid-ocean ridge at 310-280 Ma, opening of the Neotethys at 280-260 Ma, counterclockwise rotation of Pangea at 260-230 Ma and closure of the Paleotethys at 230-220 Ma. Between 260 and 230 Ma, the reorganization of the Tethyan realm triggered the up to 35° rotation of Pangea around an Euler pole located in northernmost South America. This implied both an increase and a decrease of the convergence rate between the margin and the Panthalassa ocean, north and south of the Euler pole, respectively. Thus, the Permian-Triassic Pangean margin was marked: in western Laurentia by marginal sea closure, in western Gondwana by widespread bimodal magmatic and volcanic activity, in eastern Gondwana by transpressive orogenic phase. Therefore, we propose that the Permian-Triassic evolution of the outward margin of Pangea was controlled by the Tethyan realm reorganization.

  6. The Outward Extension of an Ecological Footprint in City Expansion: The Case of Beijing

    Directory of Open Access Journals (Sweden)

    Gaodi Xie

    2014-12-01

    Full Text Available A biologically productive area was used in the ecological footprint method to measure the demand and impact of human activities on the natural capital, and further, to judge whether the impact is within the scope of the regional bio-capacity. In this presentation, an indicator “ecological footprint distance (Def” is proposed. The results indicated that the proposed indicator Def could identify the outward extension of a city’s ecological footprint with the city’s rapid expansion. From 2008 to 2012, the proportion of imported bio-capacity increased approximately from 48% to 64%, which implied that the ecological impact of Beijing had expanded year by year. The Def of Beijing increased from 567 km in 2008 to 677 km in 2012, with an average annual increase of about 25 km. From the perspective of seasonal change, Beijing’s ecological footprint distance in winter and spring was much higher than in summer and fall. The main features of provincial-spatial distribution of Beijing’s Def were as follows: grain and oil and meat and eggs were mainly supplied by Heilongjiang, Jilin, Liaoning, Hebei and Inner Mongolia; yet vegetable and fruit were mainly supplied by Hainan, Guangdong, Hebei and Shandong. Measures should be taken to decentralize the sources of imported bio-capacity, so as to ensure a sustainable development in Metropolitan cities.

  7. A proton-activated, outwardly rectifying chloride channel in human umbilical vein endothelial cells

    International Nuclear Information System (INIS)

    Ma Zhiyong; Zhang Wei; Chen Liang; Wang Rong; Kan Xiaohong; Sun Guizhen; Liu Chunxi; Li Li; Zhang Yun

    2008-01-01

    Extracellular acidic pH-activated chloride channel I Cl,acid , has been characterized in HEK 293 cells and mammalian cardiac myocytes. This study was designed to characterize I Cl,acid in human umbilical vein endothelial cells(HUVECs). The activation and deactivation of the current rapidly and repeatedly follows the change of the extracellular solution at pH 4.3, with the threshold pH 5.3. In addition, at very positive potentials, the current displays a time-dependent facilitation. pH-response relationship for I Cl,acid revealed that EC 50 is pH 4.764 with a threshold pH value of pH 5.3 and nH of 14.545. The current can be blocked by the Cl - channel inhibitor DIDS (100 μM). In summary, for the first time we report the presence of proton-activated, outwardly rectifying chloride channel in HUVECs. Because an acidic environment can develop in local myocardium under pathological conditions such as myocardial ischemia, I Cl,acid would play a role in regulation of EC function under these pathological conditions

  8. Effects of allocryptopine on outward potassium current and slow delayed rectifier potassium current in rabbit myocardium.

    Science.gov (United States)

    Fu, Yi-Cheng; Zhang, Yu; Tian, Liu-Yang; Li, Nan; Chen, Xi; Cai, Zhong-Qi; Zhu, Chao; Li, Yang

    2016-05-01

    Allocryptopine (ALL) is an effective alkaloid of Corydalis decumbens (Thunb.) Pers. Papaveraceae and has proved to be anti-arrhythmic. The purpose of our study is to investigate the effects of ALL on transmural repolarizing ionic ingredients of outward potassium current (I to) and slow delayed rectifier potassium current (I Ks). The monophasic action potential (MAP) technique was used to record the MAP duration of the epicardium (Epi), myocardium (M) and endocardium (Endo) of the rabbit heart and the whole cell patch clamp was used to record I to and I Ks in cardiomyocytes of Epi, M and Endo layers that were isolated from rabbit ventricles. The effects of ALL on MAP of Epi, M and Endo layers were disequilibrium. ALL could effectively reduce the transmural dispersion of repolarization (TDR) in rabbit transmural ventricular wall. ALL decreased the current densities of I to and I Ks in a voltage and concentration dependent way and narrowed the repolarizing differences among three layers. The analysis of gating kinetics showed ALL accelerated the channel activation of I to in M layers and partly inhibit the channel openings of I to in Epi, M and Endo cells. On the other hand, ALL mainly slowed channel deactivation of I Ks channel in Epi and Endo layers without affecting its activation. Our study gives partially explanation about the mechanisms of transmural inhibition of I to and I Ks channels by ALL in rabbit myocardium. These findings provide novel perspective regarding the anti-arrhythmogenesis application of ALL in clinical settings.

  9. Spin-wave dynamics in the helimagnet FeGe studied by small-angle neutron scattering

    Science.gov (United States)

    Siegfried, S.-A.; Sukhanov, A. S.; Altynbaev, E. V.; Honecker, D.; Heinemann, A.; Tsvyashchenko, A. V.; Grigoriev, S. V.

    2017-04-01

    We have studied the spin-wave stiffness of the Dzyaloshinskii-Moriya helimagnet FeGe in a temperature range from 225 K up to TC≈278.7 K by small-angle neutron scattering. The method we have used is based on [Grigoriev et al., Phys. Rev. B 92, 220415(R) (2015), 10.1103/PhysRevB.92.220415] and was extended here for the application in polycrystalline samples. We confirm the validity of the anisotropic spin-wave dispersion for FeGe caused by the Dzyaloshinskii-Moriya interaction. We have shown that the spin-wave stiffness A for the FeGe helimagnet decreases with a temperature as A (T ) =194 [1 -0.7 (T/TC) 4.2] meVÅ 2 . The finite value of the spin-wave stiffness A =58 meVÅ 2 at TC classifies the order-disorder phase transition in FeGe as being the first-order one.

  10. Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics.

    Science.gov (United States)

    Tanzi, Luana; Ramondo, Fabio; Caminiti, Ruggero; Campetella, Marco; Di Luca, Andrea; Gontrani, Lorenzo

    2015-09-21

    We report a X-ray diffraction and molecular dynamics study on three choline-based bio-ionic liquids, choline formate, [Ch] [For], choline propanoate, [Ch][Pro], and choline butanoate, [Ch][But]. For the first time, this class of ionic liquids has been investigated by X-ray diffraction. Experimental and theoretical structure factors have been compared for each term of the series. Local structural organization has been obtained from ab initio calculations through static models of isolated ion pairs and dynamic simulations of small portions of liquids through twelve, ten, and nine ion pairs for [Ch][For], [Ch][Pro], and [Ch][But], respectively. All the theoretical models indicate that cations and anions are connected by strong hydrogen bonding and form stable ion pairs in the liquid that are reminiscent of the static ab initio ion pairs. Different structural aspects may affect the radial distribution function, like the local structure of ion pairs and the conformation of choline. When small portions of liquids have been simulated by dynamic quantum chemical methods, some key structural features of the X-ray radial distribution function were well reproduced whereas the classical force fields here applied did not entirely reproduce all the observed structural features.

  11. Inelastic neutron scattering and lattice dynamics studies of AlPO4 and GaPO4

    International Nuclear Information System (INIS)

    Mittal, R.; Chaplot, S.L.; Kolesnikov, A.I.; Loong, C.-K.; Jayakumar, O.D.; Kulshreshtha, S.K.

    2006-01-01

    The compounds AlPO 4 and GaPO 4 show phase transitions at high pressure depending on the compressibility of the constituent tetrahedra. Semi-empirical interatomic potentials are available for AlPO 4 and GaPO 4 . Molecular dynamics simulations have been reported using these potentials to understand the nature of phase transitions in different polymorphs of these compounds. In order to check these potentials we have carried out lattice dynamical studies for AlPO 4 and GaPO 4 . The phonon density of states measurements from the polycrystalline samples of low-cristobalite phase of AlPO 4 and GaPO 4 are carried out using High-Resolution Medium-Energy Chopper Spectrometer at ANL in the energy transfer range 0-160 meV. The calculated phonon spectra for both the compounds using the available potentials show fair agreement with the experimental data. However, the agreement between the two is improved by including the polarizibility of the oxygen atoms in the framework of the shell model. The lattice dynamical model is used for the calculation of specific heat and thermal expansion

  12. Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Tanzi, Luana; Ramondo, Fabio, E-mail: fabio.ramondo@univaq.it [Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, L’Aquila I-67100 (Italy); Caminiti, Ruggero; Campetella, Marco; Di Luca, Andrea; Gontrani, Lorenzo, E-mail: lorenzo.gontrani@uniroma1.it [Department of Chemistry, University of Rome ‘La Sapienza’, P.le Aldo Moro 5, I-00185 Rome (Italy)

    2015-09-21

    We report a X-ray diffraction and molecular dynamics study on three choline-based bio-ionic liquids, choline formate, [Ch] [For], choline propanoate, [Ch][Pro], and choline butanoate, [Ch][But]. For the first time, this class of ionic liquids has been investigated by X-ray diffraction. Experimental and theoretical structure factors have been compared for each term of the series. Local structural organization has been obtained from ab initio calculations through static models of isolated ion pairs and dynamic simulations of small portions of liquids through twelve, ten, and nine ion pairs for [Ch][For], [Ch][Pro], and [Ch][But], respectively. All the theoretical models indicate that cations and anions are connected by strong hydrogen bonding and form stable ion pairs in the liquid that are reminiscent of the static ab initio ion pairs. Different structural aspects may affect the radial distribution function, like the local structure of ion pairs and the conformation of choline. When small portions of liquids have been simulated by dynamic quantum chemical methods, some key structural features of the X-ray radial distribution function were well reproduced whereas the classical force fields here applied did not entirely reproduce all the observed structural features.

  13. Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics

    International Nuclear Information System (INIS)

    Tanzi, Luana; Ramondo, Fabio; Caminiti, Ruggero; Campetella, Marco; Di Luca, Andrea; Gontrani, Lorenzo

    2015-01-01

    We report a X-ray diffraction and molecular dynamics study on three choline-based bio-ionic liquids, choline formate, [Ch] [For], choline propanoate, [Ch][Pro], and choline butanoate, [Ch][But]. For the first time, this class of ionic liquids has been investigated by X-ray diffraction. Experimental and theoretical structure factors have been compared for each term of the series. Local structural organization has been obtained from ab initio calculations through static models of isolated ion pairs and dynamic simulations of small portions of liquids through twelve, ten, and nine ion pairs for [Ch][For], [Ch][Pro], and [Ch][But], respectively. All the theoretical models indicate that cations and anions are connected by strong hydrogen bonding and form stable ion pairs in the liquid that are reminiscent of the static ab initio ion pairs. Different structural aspects may affect the radial distribution function, like the local structure of ion pairs and the conformation of choline. When small portions of liquids have been simulated by dynamic quantum chemical methods, some key structural features of the X-ray radial distribution function were well reproduced whereas the classical force fields here applied did not entirely reproduce all the observed structural features

  14. Adsorption and desorption behaviors of cationic liposome-DNA complexes upon lipofection in inside and outside biomembrane models using a dynamic quasi-elastic laser scattering method.

    Science.gov (United States)

    Uchiyama, Yoshiko; Yui, Hiroharu; Sawada, Tsuguo

    2004-11-01

    The dynamic behaviors of cationic liposome-DNA complexes in inside and outside biomembrane models upon lipofection were investigated using the time-resolved quasi-elastic laser scattering (QELS) method. Inside and outside biomembrane models with similar phospholipid compositions to those in living cells were formed at a tetradecane/phosphate buffered saline (TD/PBS) interface. Cationic liposome-DNA complexes were injected into the buffer subphase, and their adsorption/desorption behaviors at the biomembrane models were monitored through changes in the interfacial tension. We found that the adsorption rate of the complexes increased 2.6 times more in the outside model than in the inside one. The adsorption rate of DNA alone did not show a remarkable difference from one side to the other; however, the adsorption rate of the cationic liposome alone showed a similar tendency to that of the liposome-DNA complex. These results indicated that the difference in lipid composition induced a different dynamic behavior of exogenous biomolecules and that the cationic liposomes played an important role in the faster incorporation of DNA into cells upon lipofection.

  15. State-to-state dynamics of the H{sup *}(n) + HD → D{sup *}(n{sup ′}) + H{sub 2} reactive scattering

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Shengrui; Su, Shu; Dai, Dongxu; Yuan, Kaijun, E-mail: kjyuan@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn; Yang, Xueming, E-mail: kjyuan@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian 116023 (China)

    2014-01-21

    The state-to-state dynamics of the H{sup *}(n) + HD → D{sup *}(n{sup ′}) + H{sub 2} reactive scattering at the collision energy of 0.5 eV have been carried out for the first time by using H-atom Rydberg tagging time-of-flight technique. Experimental results show that the angular distribution of the total H{sub 2} products presents clearly forward-backward asymmetric, which considerably differs from that of the corresponding H{sup +} + HD → D{sup +} + H{sub 2} reaction predicted by previously theoretical calculations. Such disagreement between these two processes suggests that the Fermi independent-collider model is also not valid in describing the dynamics of isotopic variants of the H{sup *} + H{sub 2} reaction. The rotational state distribution of the H{sub 2} products demonstrates a saw-toothed distribution with odd-j{sup ′} > even-j{sup ′}. This interesting observation is strongly influenced by nuclear spin statistics.

  16. Self and transport diffusivity of CO2 in the metal-organic framework MIL-47(V) explored by quasi-elastic neutron scattering experiments and molecular dynamics simulations.

    Science.gov (United States)

    Salles, Fabrice; Jobic, Hervé; Devic, Thomas; Llewellyn, Philip L; Serre, Christian; Férey, Gérard; Maurin, Guillaume

    2010-01-26

    Quasi-elastic neutron scattering measurements are combined with molecular dynamics simulations to determine the self-diffusivity, corrected diffusivity, and transport diffusivity of CO(2) in the metal-organic framework MIL-47(V) (MIL = Materials Institut Lavoisier) over a wide range of loading. The force field used for describing the host/guest interactions is first validated on the thermodynamics of the MIL-47(V)/CO(2) system, prior to being transferred to the investigations of the dynamics. A decreasing profile is then deduced for D(s) and D(o) whereas D(t) presents a non monotonous evolution with a slight decrease at low loading followed by a sharp increase at higher loading. Such decrease of D(t) which has never been evidenced in any microporous systems comes from the atypical evolution of the thermodynamic correction factor that reaches values below 1 at low loading. This implies that, due to intermolecular interactions, the CO(2) molecules in MIL-47(V) do not behave like an ideal gas. Further, molecular simulations enabled us to elucidate unambiguously a 3D diffusion mechanism within the pores of MIL-47(V).

  17. Hydration and Ion Pairing in Aqueous Mg2+ and Zn2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations.

    Science.gov (United States)

    Duboué-Dijon, Elise; Mason, Philip E; Fischer, Henry E; Jungwirth, Pavel

    2018-04-05

    Magnesium and zinc dications possess the same charge and have an almost identical size, yet they behave very differently in aqueous solutions and play distinct biological roles. It is thus crucial to identify the origins of such different behaviors and to assess to what extent they can be captured by force-field molecular dynamics simulations. In this work, we combine neutron scattering experiments in a specific mixture of H 2 O and D 2 O (the so-called null water) with ab initio molecular dynamics simulations to probe the difference in the hydration structure and ion-pairing properties of chloride solutions of the two cations. The obtained data are used as a benchmark to develop a scaled-charge force field for Mg 2+ that includes electronic polarization in a mean field way. We show that using this electronic continuum correction we can describe aqueous magnesium chloride solutions well. However, in aqueous zinc chloride specific interaction terms between the ions need to be introduced to capture ion pairing quantitatively.

  18. Asymmetric Flow Field Flow Fractionation of Aqueous C60 Nanoparticles with Size Determination by Dynamic Light Scattering and Quantification by Liquid Chromatography Atmospheric Pressure Photo-Ionization Mass Spectrometry

    Science.gov (United States)

    A size separation method was developed for aqueous C60 fullerene aggregates (aqu/C60) using asymmetric flow field flow fractionation (AF4) coupled to a dynamic light scattering detector in flow through mode. Surfactants, which are commonly used in AF4, were avoided as they may al...

  19. Crossed Beam Scattering Studies of the Dynamics of the Reaction NH.sup.+./sup.(D.sub.2./sub.; H, D) NHD.sup.+./sup., ND.sub.2./sub..sup.+./sup..

    Czech Academy of Sciences Publication Activity Database

    Wittemann, A.; Sadílek, Martin; Polách, Jiří; Teloy, E.; Schlier, CH.; Herman, Zdeněk

    2001-01-01

    Roč. 215, č. 6 (2001), s. 749-764 ISSN 0942-9352 R&D Projects: GA ČR GA203/00/0632 Institutional research plan: CEZ:AV0Z4040901 Keywords : scattering studies * Klots model * dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.070, year: 2001

  20. Dynamic and structural study of neocarzinostatin native and denatured states, by differential microcalorimetry, optical spectroscopies and X-ray and neutron scattering

    International Nuclear Information System (INIS)

    Russo, Daniela

    2000-01-01

    A structural and dynamic characterization of proteins denatured states is essential to the understanding of mechanisms which control proteins folding. It is in this framework that this study has been undertaken in taking as model the neocarzinostatin globular protein. It is formed with seven cell-layers which form a barrel pattern maintained by two bi-sulfur bonds. A full characterization of native and denatured states, both from structural and dynamic point of view, has been implemented with several techniques able to bring data at different levels. During the experiments, ncs has been stabilized by temperature and by the use of a chaotropic agent: the guanidinium chloride (gdmcl). Small angle x-ray and neutron scattering have allowed us to obtain data on the variation of the protein compactness in terms of gdmcl temperature and concentration. The diffusion spectra show that ncs loses completely its globular structure above 80 C or in presence of about 5 m of gdmcl. Temperature and concentration of half denaturation are tm= 70 C and cm=3.5 m (in heavy water), respectively. Spectra analysis of strongly denatured protein has allowed us to obtain values of its chain length and of its persistence length which are in agreement with those theoretically estimated. Experiments have been carried out too to measure the radius of gyration to zero concentration and the second virial coefficient of the solution in order to estimate the interactions between the molecules. A full characterization has been performed in terms of gdmcl temperature and concentration by fluorescence and circular dichroism. These two techniques reveal the variations of the local three-dimensional structure and secondary structure of the protein respectively. Microcalorimetry measurements have shown that thermal denaturation of ncs is completely reversible and has been used to measure the enthalpy variation during the transition. At last, it has been possible to study ncs intramolecular dynamics in

  1. The New Worlds Observer: Direct Detection and Study of Exoplanets from the Habitable Zone Outward

    Science.gov (United States)

    Cash, Webster C.; 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. 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.

  2. Quasiresonant scattering

    International Nuclear Information System (INIS)

    Hategan, Cornel; Comisel, Horia; Ionescu, Remus A.

    2004-01-01

    The quasiresonant scattering consists from a single channel resonance coupled by direct interaction transitions to some competing reaction channels. A description of quasiresonant Scattering, in terms of generalized reduced K-, R- and S- Matrix, is developed in this work. The quasiresonance's decay width is, due to channels coupling, smaller than the width of the ancestral single channel resonance (resonance's direct compression). (author)

  3. Thomson Scattering

    NARCIS (Netherlands)

    Donne, A. J. H.

    1994-01-01

    Thomson scattering is a very powerful diagnostic which is applied at nearly every magnetic confinement device. Depending on the experimental conditions different plasma parameters can be diagnosed. When the wave vector is much larger than the plasma Debye length, the total scattered power is

  4. Bibliography for thermal neutron scattering

    International Nuclear Information System (INIS)

    Sakamoto, M.; Chihara, J.; Nakahara, Y.; Kadotani, H.; Sekiya, T.

    1976-12-01

    It contains bibliographical references to measurements, calculations, reviews and basic studies on thermal neutron scatterings and dynamical properties of condensed matter. About 2,700 documents up to the end of 1975 are covered. (auth.)

  5. The dynamic cusp at low altitudes: A case study combining Viking, DMSP, and Sondrestrom incoherent scatter radar observations

    International Nuclear Information System (INIS)

    Watermann, J.; Delabeaujardiere, O.; Lummerzheim, D.; Woch, J.; Newell, P.T.; Potemra, T.A.; Rich, F.J.; Shapshak, M.

    1992-01-01

    A case study involving data from three satellites and a ground-based radar are presented. Focus is on a detailed discussion of observations of the dynamic cusp made on 24 Sep. 1986 in the dayside high-latitude ionosphere and interior magnetosphere. The relevant data from space-borne and ground-based sensors is presented. They include in-situ particle and field measurements from the DMSP-F7 and Viking spacecraft and Sondrestrom radar observations of the ionosphere. These data are augmented by observations of the IMF and the solar wind plasma. The observations are compared with predictions about the ionospheric response to the observed particle precipitation, obtained from an auroral model. It is shown that observations and model calculations fit well and provide a picture of the ionospheric footprint of the cusp in an invariant latitude versus local time frame. The combination of Viking, Sondrestrom radar, and IMP-8 data suggests that an ionospheric signature of the dynamic cusp was observed. Its spatial variation over time which appeared closely related to the southward component of the IMF was monitored

  6. Colorimetric and dynamic light scattering detection of DNA sequences by using positively charged gold nanospheres: a comparative study with gold nanorods

    Science.gov (United States)

    Pylaev, T. E.; Khanadeev, V. A.; Khlebtsov, B. N.; Dykman, L. A.; Bogatyrev, V. A.; Khlebtsov, N. G.

    2011-07-01

    We introduce a new genosensing approach employing CTAB (cetyltrimethylammonium bromide)-coated positively charged colloidal gold nanoparticles (GNPs) to detect target DNA sequences by using absorption spectroscopy and dynamic light scattering. The approach is compared with a previously reported method employing unmodified CTAB-coated gold nanorods (GNRs). Both approaches are based on the observation that whereas the addition of probe and target ssDNA to CTAB-coated particles results in particle aggregation, no aggregation is observed after addition of probe and nontarget DNA sequences. Our goal was to compare the feasibility and sensitivity of both methods. A 21-mer ssDNA from the human immunodeficiency virus type 1 HIV-1 U5 long terminal repeat (LTR) sequence and a 23-mer ssDNA from the Bacillus anthracis cryptic protein and protective antigen precursor (pagA) genes were used as ssDNA models. In the case of GNRs, unexpectedly, the colorimetric test failed with perfect cigar-like particles but could be performed with dumbbell and dog-bone rods. By contrast, our approach with cationic CTAB-coated GNPs is easy to implement and possesses excellent feasibility with retention of comparable sensitivity—a 0.1 nM concentration of target cDNA can be detected with the naked eye and 10 pM by dynamic light scattering (DLS) measurements. The specificity of our method is illustrated by successful DLS detection of one-three base mismatches in cDNA sequences for both DNA models. These results suggest that the cationic GNPs and DLS can be used for genosensing under optimal DNA hybridization conditions without any chemical modifications of the particle surface with ssDNA molecules and signal amplification. Finally, we discuss a more than two-three-order difference in the reported estimations of the detection sensitivity of colorimetric methods (0.1 to 10-100 pM) to show that the existing aggregation models are inconsistent with the detection limits of about 0.1-1 pM DNA and that

  7. Synaptic excitation in spinal motoneurons alternates with synaptic inhibition and is balanced by outward rectification during rhythmic motor network activity

    DEFF Research Database (Denmark)

    Guzulaitis, Robertas; Hounsgaard, Jorn

    2017-01-01

    channels. Intrinsic outward rectification facilitates spiking by focusing synaptic depolarization near threshold for action potentials. By direct recording of synaptic currents, we also show that motoneurons are activated by out-of-phase peaks in excitation and inhibition during network activity, whereas......Regular firing in spinal motoneurons of red-eared turtles (Trachemys scripta elegans, either sex) evoked by steady depolarization at rest is replaced by irregular firing during functional network activity. The transition caused by increased input conductance and synaptic fluctuations in membrane...... potential was suggested to originate from intense concurrent inhibition and excitation. We show that the conductance increase in motoneurons during functional network activity is mainly caused by intrinsic outward rectification near threshold for action potentials by activation of voltage and Ca2+ gated K...

  8. Scattering theory

    International Nuclear Information System (INIS)

    Sitenko, A.

    1991-01-01

    This book emerged out of graduate lectures given by the author at the University of Kiev and is intended as a graduate text. The fundamentals of non-relativistic quantum scattering theory are covered, including some topics, such as the phase-function formalism, separable potentials, and inverse scattering, which are not always coverded in textbooks on scattering theory. Criticisms of the text are minor, but the reviewer feels an inadequate index is provided and the citing of references in the Russian language is a hindrance in a graduate text

  9. MAGNETIC NEUTRON SCATTERING

    Energy Technology Data Exchange (ETDEWEB)

    ZALIZNYAK,I.A.; LEE,S.H.

    2004-07-30

    Much of our understanding of the atomic-scale magnetic structure and the dynamical properties of solids and liquids was gained from neutron-scattering studies. Elastic and inelastic neutron spectroscopy provided physicists with an unprecedented, detailed access to spin structures, magnetic-excitation spectra, soft-modes and critical dynamics at magnetic-phase transitions, which is unrivaled by other experimental techniques. Because the neutron has no electric charge, it is an ideal weakly interacting and highly penetrating probe of matter's inner structure and dynamics. Unlike techniques using photon electric fields or charged particles (e.g., electrons, muons) that significantly modify the local electronic environment, neutron spectroscopy allows determination of a material's intrinsic, unperturbed physical properties. The method is not sensitive to extraneous charges, electric fields, and the imperfection of surface layers. Because the neutron is a highly penetrating and non-destructive probe, neutron spectroscopy can probe the microscopic properties of bulk materials (not just their surface layers) and study samples embedded in complex environments, such as cryostats, magnets, and pressure cells, which are essential for understanding the physical origins of magnetic phenomena. Neutron scattering is arguably the most powerful and versatile experimental tool for studying the microscopic properties of the magnetic materials. The magnitude of the cross-section of the neutron magnetic scattering is similar to the cross-section of nuclear scattering by short-range nuclear forces, and is large enough to provide measurable scattering by the ordered magnetic structures and electron spin fluctuations. In the half-a-century or so that has passed since neutron beams with sufficient intensity for scattering applications became available with the advent of the nuclear reactors, they have became indispensable tools for studying a variety of important areas of modern

  10. ‘The Edification of the Church’: Richard Hooker’s Theology of Worship and the Protestant Inward / Outward Disjunction

    Directory of Open Access Journals (Sweden)

    Littlejohn W. Bradford

    2014-06-01

    Full Text Available Sixteenth-century English Protestants struggled with the legacy left them by the Lutheran reformation: a strict disjunction between inward and outward that hindered the development of a robust theology of worship. For Luther, outward forms of worship had more to do with the edification of the neighbour than they did with pleasing God. But what exactly did ‘edification’ mean? On the one hand, English Protestants sought to avoid the Roman Catholic view that certain elements of worship held an intrinsic spiritual value; on the other hand, many did not want to imply that forms of worship were spiritually arbitrary and had a merely civil value. Richard Hooker developed his theology of worship in response to this challenge, seeking to maintain a clear distinction between the inward worship of the heart and the outward forms of public worship, while refusing to disassociate the two. The result was a concept of edification which sought to do justice to both civil and spiritual concerns, without, pace Peter Lake and other scholars, conceding an inch to a Catholic theology of worship

  11. Critical scattering

    International Nuclear Information System (INIS)

    Stirling, W.G.; Perry, S.C.

    1996-01-01

    We outline the theoretical and experimental background to neutron scattering studies of critical phenomena at magnetic and structural phase transitions. The displacive phase transition of SrTiO 3 is discussed, along with examples from recent work on magnetic materials from the rare-earth (Ho, Dy) and actinide (NpAs, NpSb, USb) classes. The impact of synchrotron X-ray scattering is discussed in conclusion. (author) 13 figs., 18 refs

  12. Micro-focused Brillouin light scattering study of the magnetization dynamics driven by Spin Hall effect in a transversely magnetized NiFe nanowire

    Energy Technology Data Exchange (ETDEWEB)

    Madami, M., E-mail: marco.madami@fisica.unipg.it; Carlotti, G. [Dipartimento di Fisica e Geologia, Università di Perugia, Perugia (Italy); Gubbiotti, G.; Tacchi, S. [Istituto Officina dei Materiali del CNR (CNR-IOM), Unità di Perugia, c/o Dipartimento di Fisica e Geologia, Università di Perugia, Perugia (Italy); Moriyama, T.; Tanaka, K.; Ono, T. [Institute for Chemical Research, Kyoto University, Kyoto (Japan); Siracusano, G.; Finocchio, G. [Department of Electronic Engineering, Industrial Chemistry and Engineering, University of Messina, Messina (Italy); Carpentieri, M. [Department of Electrical and Information Engineering, Politecnico of Bari, Bari (Italy)

    2015-05-07

    We employed micro-focused Brillouin light scattering to study the amplification of the thermal spin wave eigenmodes by means of a pure spin current, generated by the spin-Hall effect, in a transversely magnetized Pt(4 nm)/NiFe(4 nm)/SiO{sub 2}(5 nm) layered nanowire with lateral dimensions 500 × 2750 nm{sup 2}. The frequency and the cross section of both the center (fundamental) and the edge spin wave modes have been measured as a function of the intensity of the injected dc electric current. The frequency of both modes exhibits a clear redshift while their cross section is greatly enhanced on increasing the intensity of the injected dc. A threshold-like behavior is observed for a value of the injected dc of 2.8 mA. Interestingly, an additional mode, localized in the central part of the nanowire, appears at higher frequency on increasing the intensity of the injected dc above the threshold value. Micromagnetic simulations were used to quantitatively reproduce the experimental results and to investigate the complex non-linear dynamics induced by the spin-Hall effect, including the modification of the spatial profile of the spin wave modes and the appearance of the extra mode above the threshold.

  13. Analysis of the interactions between human serum albumin/amphiphilic penicillin in different aqueous media: an isothermal titration calorimetry and dynamic light scattering study

    International Nuclear Information System (INIS)

    Barbosa, Silvia; Taboada, Pablo; Mosquera, Victor

    2005-01-01

    The complexation process of the amphiphilic penicillins sodium cloxacillin and sodium dicloxacillin with the protein human serum albumin (HSA) in aqueous buffered solutions of pH 4.5 and 7.4 at 25 o C was investigated through isothermal titration calorimetry (ITC) and dynamic light scattering. ITC experiments were carried out in the very dilute regime and showed that although hydrophobic interactions are the leading forces for complexation, electrostatic interactions also play an important role. The possibility of the formation of hydrogen bonds is also deduced from experimental data. The thermodynamic quantities of the binding mechanism, i.e, the enthalpy, ΔHITCi, entropy, ΔSITCi, Gibbs energy, ΔGITCi, binding constant, KITCi and the number of binding sites, n i , were obtained. The binding was saturable and is characterised by Langmuir adsorption isotherms. From ITC data and following a theoretical model, the number of bound and free penicillin molecules was calculated. From Scatchard plots, KITCi and n i were obtained and compared with those from ITC data. The interaction potential between the HSA-penicillin complexes and their stability were determined at pH 7.4 from the dependence of the diffusion coefficients on protein concentration by application of the DLVO colloidal stability theory. The results indicate decreasing stability of the colloidal dispersion of the drug-protein complexes with increase in the concentration of added drug

  14. NanoDLSay: a new platform technology for biomolecular detection and analysis using gold nanoparticle probes coupled with dynamic light scattering

    Science.gov (United States)

    Bogdanovic, Jelena; Huo, Qun

    2010-04-01

    Most analytical techniques that are routinely used in biomedical research for detection and quantification of biomolecules are time-consuming, expensive and labor-intensive, and there is always a need for rapid, affordable and convenient methods. Recently we have developed a new platform technology for biomolecular detection and analysis: NanoDLSay. NanoDLSay employs antibody-coated gold nanoparticles (GNPs) and dynamic light scattering, and correlates the specific increase in particle size after antigen-antibody interaction to the target antigen concentration. We applied this technology to develop an assay for rapid detection of actin, a protein widely used as a loading control in Western Blot analysis. GNPs were coated with two types of polyclonal anti-actin antibodies, and used in the assay to detect two types of actin: β- and bovine skeletal muscle actin in RIPA buffer. The results of our study revealed some complex aspects of actin binding characteristics, which depended on the type of actin reagent and anti-actin antibody used. A surprising finding was a reverse dose-response relationship between the actin concentration and the average particle size in the assay solution, which we attributed to the effect of RIPA buffer. Our results indicate that RIPA may also interfere in other types of nanoparticle-based assays, and that this interference deserves further study.

  15. Hydrogen-bonding recognition-induced aggregation of gold nanoparticles for the determination of the migration of melamine monomers using dynamic light scattering.

    Science.gov (United States)

    Wu, Long; Chen, Kun; Lu, Zhicheng; Li, Tingting; Shao, Kang; Shao, Feng; Han, Heyou

    2014-10-03

    The migration of melamine monomers from food contact materials has aroused particular attention since the 2008 melamine-tainted milk scandal in China. However, the determination of melamine monomer's migratory quantity (MMMQ) has remained an open question because of the complex sample pretreatment and the low sensitivity. Based on the hydrogen bonding interaction between DNA thymine and melamine, this paper described a simple and rapid method focusing on the measurement of MMMQ from melamine tableware by gold nanoparticles (GNPs) and dynamic light scattering (DLS). With the presence of probe DNA (p-DNA), the GNPs were stable in NaCl solution (0.06 M), whereas they became aggregated when the p-DNA hybridized with melamine. The change in the hydrodynamic diameter of GNPs could be detected by DLS technology. Under the optimal conditions, the average diameter increased linearly with the concentration of melamine over the range from 5.0 to 320.0 μg L(-1), and showed a detection limit of 2.0 μg L(-1) (3σ/slope). The MMMQ was investigated within a range from 6.00×10(-4) to 2.58×10(-1) mg dm(-2) (n≥3) in four different food simulants at different temperatures and time points. The results suggest that the DLS method has great potential in the analysis of the migration of melamine monomers. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. A high resolution helium atom scattering and far infrared study of the dynamics and the lateral potential energy surface of CO molecules chemisorbed on Cu(001)

    International Nuclear Information System (INIS)

    Graham, A.P.; Hofmann, F.; Toennies, J.P.; Williams, G.P.; Hirschmugl, C.J.; Ellis, J.

    1998-01-01

    Inelastic helium scattering (HAS) and infrared reflection adsorption spectroscopy (IRAS) have been used to measure the isotope shifts of the frequencies of both the parallel and perpendicular frustrated translation modes, as well as the frustrated rotation mode of CO molecules at on top sites on Cu(001). The measured isotope shifts for four different isotopomers indicates a significant rotational contribution to the parallel frustrated translation (T-mode), where the vibrational amplitude of the oxygen atom is significantly larger than for the carbon atom. Conversely, for the frustrated rotation the vibrational amplitude of the carbon atom was observed to be larger than for the oxygen atom. At surface temperatures above T s =100 K a careful analysis of the peak shape of the HAS quasielastic peak shows a small broadening, which is attributed to a rapid diffusion of the CO molecules. The measured dynamic diffusion barrier of 31±10 meV is compatible with the shape of the potential at the on-top site and makes it possible to extend the potential energy surface to the region between the on-top sites. copyright 1998 American Institute of Physics

  17. Human serum albumin interactions with C{sub 60} fullerene studied by spectroscopy, small-angle neutron scattering, and molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Li, Song [Vanderbilt University, Department of Chemical and Biomolecular Engineering (United States); Zhao, Xiongce [NIDDK, National Institutes of Health (United States); Mo, Yiming [Institute of Agriculture, University of Tennessee (United States); Cummings, Peter T., E-mail: cummingspt@ornl.gov [Vanderbilt University, Department of Chemical and Biomolecular Engineering (United States); Heller, William T., E-mail: hellerwt@ornl.gov [Oak Ridge National Laboratory, Center for Structural Molecular Biology (United States)

    2013-07-15

    Concern about the toxicity of engineered nanoparticles, such as the prototypical nanomaterial C{sub 60} fullerene, continues to grow. While, evidence continues to mount that C{sub 60} and its derivatives may pose health hazards, the specific molecular interactions of these particles with biological macromolecules require further investigation. In this article, we report combined experimental and theoretical studies on the interaction of one of the most prevalent proteins in the human body, human serum albumin (HSA), with C{sub 60} in an aqueous environment. The C{sub 60}-HSA interaction was probed by circular dichroism (CD) spectroscopy, small-angle neutron scattering (SANS), and atomistic molecular dynamics (MD) simulations to understand C{sub 60}-driven changes in the structure of HSA in solution. The CD spectroscopy demonstrates that the secondary structure of the protein decreases in {alpha}-helical content in response to the presence of C{sub 60} (0.68 nm in diameter). Similarly, C{sub 60} produces subtle changes in the solution conformation of HSA (an 8.0 nm Multiplication-Sign 3.8 nm protein), as evidenced by the SANS data and MD simulations, but the data do not indicate that C{sub 60} changes the oligomerization state of the protein, such as by inducing aggregation. The results demonstrate that the interaction is not highly disruptive to the protein in a manner that would prevent it from performing its physiological function.

  18. State-to-state dynamics at the gas-liquid metal interface: rotationally and electronically inelastic scattering of NO[2Π(1/2)(0.5)] from molten gallium.

    Science.gov (United States)

    Ziemkiewicz, Michael P; Roscioli, Joseph R; Nesbitt, David J

    2011-06-21

    Jet cooled NO molecules are scattered at 45° with respect to the surface normal from a liquid gallium surface at E(inc) from 1.0(3) to 20(6) kcal/mol to probe rotationally and electronically inelastic scattering from a gas-molten metal interface (numbers in parenthesis represent 1σ uncertainty in the corresponding final digits). Scattered populations are detected at 45° by confocal laser induced fluorescence (LIF) on the γ(0-0) and γ(1-1) A(2)Σ ← X(2)Π(Ω) bands, yielding rotational, spin-orbit, and λ-doublet population distributions. Scattering of low speed NO molecules results in Boltzmann distributions with effective temperatures considerably lower than that of the surface, in respectable agreement with the Bowman-Gossage rotational cooling model [J. M. Bowman and J. L. Gossage, Chem. Phys. Lett. 96, 481 (1983)] for desorption from a restricted surface rotor state. Increasing collision energy results in a stronger increase in scattered NO rotational energy than spin-orbit excitation, with an opposite trend noted for changes in surface temperature. The difference between electronic and rotational dynamics is discussed in terms of the possible influence of electron hole pair excitations in the conducting metal. While such electronically non-adiabatic processes can also influence vibrational dynamics, the γ(1-1) band indicates rotational energy transfer is compared from a hard cube model perspective with previous studies of NO scattering from single crystal solid surfaces. Despite a lighter atomic mass (70 amu), the liquid Ga surface is found to promote translational to rotational excitation more efficiently than Ag(111) (108 amu) and nearly as effectively as Au(111) (197 amu). The enhanced propensity for Ga(l) to transform incident translational energy into rotation is discussed in terms of temperature-dependent capillary wave excitation of the gas-liquid metal interface. © 2011 American Institute of Physics

  19. Effect of cylindrical confinement on the determination of laminar flame speeds using outwardly propagating flames

    Energy Technology Data Exchange (ETDEWEB)

    Burke, Michael P.; Chen, Zheng; Ju, Yiguang; Dryer, Frederick L. [Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544 (United States)

    2009-04-15

    The effect of nonspherical (i.e. cylindrical) bomb geometry on the evolution of outwardly propagating flames and the determination of laminar flame speeds using the conventional constant-pressure technique is investigated experimentally and theoretically. The cylindrical chamber boundary modifies the propagation rate through the interaction of the wall with the flow induced by thermal expansion across the flame (even with constant pressure), which leads to significant distortion of the flame surface for large flame radii. These departures from the unconfined case, especially the resulting nonzero burned gas velocities, can lead to significant errors in flame speeds calculated using the conventional assumptions, especially for large flame radii. For example, at a flame radius of 0.5 times the wall radius, the flame speed calculated neglecting confinement effects can be low by {proportional_to}15% (even with constant pressure). A methodology to estimate the effect of nonzero burned gas velocities on the measured flame speed in cylindrical chambers is presented. Modeling and experiments indicate that the effect of confinement can be neglected for flame radii less than 0.3 times the wall radius while still achieving acceptable accuracy (within 3%). The methodology is applied to correct the flame speed for nonzero burned gas speeds, in order to extend the range of flame radii useful for flame speed measurements. Under the proposed scaling, the burned gas speed can be well approximated as a function of only flame radius for a given chamber geometry - i.e. the correction function need only be determined once for an apparatus and then it can be used for any mixture. Results indicate that the flow correction can be used to extract flame speeds for flame radii up to 0.5 times the wall radius with somewhat larger, yet still acceptable uncertainties for the cases studied. Flow-corrected burning velocities are measured for hydrogen and syngas mixtures at atmospheric and

  20. Macroscopic Properties of Hollow Cone Spray Using an Outwardly Opening Piezoelectric Injector in GCI Engine

    KAUST Repository

    Cheng, Penghui

    2016-07-01

    Fuel mixture formation and spray characteristics are crucial for the advancement of Gasoline Compression Ignition (GCI) engine. For investigations of spray characteristics, a high-pressure high-temperature spray chamber with constant volume has been designed, tested and commissioned at CCRC, KAUST. Back light illumination technique has been applied to investigate the macroscopic spray properties of an outwardly opening piezoelec- tric injector. Three parameters including injection pressure, ambient pressure, and ambient temperature have been involved. A total of 18 combinations of experimental conditions were tested under non-reactive conditions. Through qualitative analysis of spray morphology under different operating conditions, an apparent distinction of spray morphology has been noticed. Spray morphology and propagation have shown strong dependencies on ambient pressure and ambient tempera- ture while injection pressure has a negligible effect on spray shape. Increasingly compact and bushier spray patterns were observed in the cases of high ambient pressure due to in- creasing aerodynamic drag force on spray boundary. It should also be noted that ambient temperature plays a fairly important role in fuel evaporation rate. At 200 °C, oscillating and considerably short spray shape was produced. Also, circumferential ring-like vortices and distinctive string-like structures have been identified for the fuel spray exiting this hollow cone injector. It has been observed that high ambient pressure conditions (Pamb = 4 bar and 10.5 bar) are favorable to the vortices generation, which has also been reported in previous literature. The quantitative description of macroscopic spray properties reveals that ambient pres- sure and ambient temperature are found to be the most influential parameters on liquid penetration length. The rise of ambient pressure results in considerably shorter liquid pen- etration length. Ambient temperature also appears to be a very effective

  1. Cooperative protein structural dynamics of homodimeric hemoglobin linked to water cluster at subunit interface revealed by time-resolved X-ray solution scattering

    Directory of Open Access Journals (Sweden)

    Jong Goo Kim

    2016-03-01

    Full Text Available Homodimeric hemoglobin (HbI consisting of two subunits is a good model system for investigating the allosteric structural transition as it exhibits cooperativity in ligand binding. In this work, as an effort to extend our previous study on wild-type and F97Y mutant HbI, we investigate structural dynamics of a mutant HbI in solution to examine the role of well-organized interfacial water cluster, which has been known to mediate intersubunit communication in HbI. In the T72V mutant of HbI, the interfacial water cluster in the T state is perturbed due to the lack of Thr72, resulting in two less interfacial water molecules than in wild-type HbI. By performing picosecond time-resolved X-ray solution scattering experiment and kinetic analysis on the T72V mutant, we identify three structurally distinct intermediates (I1, I2, and I3 and show that the kinetics of the T72V mutant are well described by the same kinetic model used for wild-type and F97Y HbI, which involves biphasic kinetics, geminate recombination, and bimolecular CO recombination. The optimized kinetic model shows that the R-T transition and bimolecular CO recombination are faster in the T72V mutant than in the wild type. From structural analysis using species-associated difference scattering curves for the intermediates, we find that the T-like deoxy I3 intermediate in solution has a different structure from deoxy HbI in crystal. In addition, we extract detailed structural parameters of the intermediates such as E-F distance, intersubunit rotation angle, and heme-heme distance. By comparing the structures of protein intermediates in wild-type HbI and the T72V mutant, we reveal how the perturbation in the interfacial water cluster affects the kinetics and structures of reaction intermediates of HbI.

  2. Dynamic distinctions in the Na+/Ca2+ exchanger adopting the inward- and outward-facing conformational states

    Czech Academy of Sciences Publication Activity Database

    Giladi, M.; Van Dijk, L.; Refaeli, B.; Almagor, L.; Hiller, R.; Man, Petr; Forest, E.; Khananshvili, D.

    2017-01-01

    Roč. 292, č. 29 (2017), s. 12311-12323 ISSN 0021-9258 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0109; GA MŠk(CZ) LQ1604 Institutional support: RVO:61388971 Keywords : SODIUM-CALCIUM EXCHANGER * MASS-SPECTROMETRY * STRUCTURAL BASIS Subject RIV: CE - Biochemistry OBOR OECD: Biochemistry and molecular biology Impact factor: 4.125, year: 2016

  3. Compton scattering

    International Nuclear Information System (INIS)

    Botto, D.J.; Pratt, R.H.

    1979-05-01

    The current status of Compton scattering, both experimental observations and the theoretical predictions, is examined. Classes of experiments are distinguished and the results obtained are summarized. The validity of the incoherent scattering function approximation and the impulse approximation is discussed. These simple theoretical approaches are compared with predictions of the nonrelativistic dipole formula of Gavrila and with the relativistic results of Whittingham. It is noted that the A -2 based approximations fail to predict resonances and an infrared divergence, both of which have been observed. It appears that at present the various available theoretical approaches differ significantly in their predictions and that further and more systematic work is required

  4. Compton scattering

    Energy Technology Data Exchange (ETDEWEB)

    Botto, D.J.; Pratt, R.H.

    1979-05-01

    The current status of Compton scattering, both experimental observations and the theoretical predictions, is examined. Classes of experiments are distinguished and the results obtained are summarized. The validity of the incoherent scattering function approximation and the impulse approximation is discussed. These simple theoretical approaches are compared with predictions of the nonrelativistic dipole formula of Gavrila and with the relativistic results of Whittingham. It is noted that the A/sup -2/ based approximations fail to predict resonances and an infrared divergence, both of which have been observed. It appears that at present the various available theoretical approaches differ significantly in their predictions and that further and more systematic work is required.

  5. The Role of Pickup Ion Dynamics Outside of the Heliopause in the Limit of Weak Pitch Angle Scattering: Implications for the Source of the IBEX Ribbon

    Science.gov (United States)

    Zirnstein, E. J.; Heerikhuisen, J.; Dayeh, M. A.

    2018-03-01

    We present a new model of the Interstellar Boundary Explorer (IBEX) ribbon based on the secondary energetic neutral atom (ENA) mechanism, under the assumption that there is negligible pitch angle scattering of pickup ions (PUIs) outside the heliopause. Using the results of an MHD-plasma/kinetic-neutral simulation of the heliosphere, we generate PUIs in the outer heliosheath, solve their transport using guiding center theory, and compute ribbon ENA fluxes at 1 au. We implement several aspects of the PUI dynamics, including (1) parallel motion along the local interstellar magnetic field (ISMF), (2) advective transport with the interstellar plasma, (3) the mirror force acting on PUIs propagating along the ISMF, and (4) betatron acceleration of PUIs as they are advected within an increasing magnetic field toward the heliopause. We find that ENA fluxes at 1 au are reduced when PUIs are allowed to move along the ISMF, and ENA fluxes are reduced even more by the inclusion of the mirror force, which pushes particles away from IBEX lines of sight. Inclusion of advection and betatron acceleration do not result in any significant change in the ribbon. Interestingly, the mirror force reduces the ENA fluxes from the inner edge of the ribbon more than those from its outer edge, effectively reducing the ribbon’s width by ∼6° and increasing its radius projected on the sky. This is caused by the asymmetric draping of the ISMF around the heliopause, such that ENAs from the ribbon’s inner edge originate closer to the heliopause, where the mirror force is strongest.

  6. Liquid Structure of CO 2 –Reactive Aprotic Heterocyclic Anion Ionic Liquids from X-ray Scattering and Molecular Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Sheridan, Quintin R.; Oh, Seungmin; Morales-Collazo, Oscar; Castner, Jr., Edward W.; Brennecke, Joan F.; Maginn, Edward J. (Rutgers); (Notre)

    2016-11-23

    A combination of X-ray scattering experiments and molecular dynamics simulations were conducted to investigate the structure of ionic liquids (ILs) which chemically bind CO2. The structure functions were measured and computed for four different ILs consisting of two different phosphonium cations, triethyloctylphosphonium ([P2228]+) and trihexyltetradecylphosphonium ([P66614]+), paired with two different aprotic heterocyclic anions which chemically react with CO2, 2-cyanopyrrolide, and 1,2,4-triazolide. Simulations were able to reproduce the experimental structure functions, and by deconstructing the simulated structure functions, further information on the liquid structure was obtained. All structure functions of the ILs studied had three primary features which have been seen before in other ILs: a prepeak near 0.3–0.4 Å–1 corresponding to polar/nonpolar domain alternation, a charge alternation peak near 0.8 Å–1, and a peak near 1.5 Å–1 due to interactions of adjacent molecules. The liquid structure functions were only mildly sensitive to the specific anion and whether or not they were reacted with CO2. Upon reacting with CO2, small changes were observed in the structure functions of the [P2228]+ ILs, whereas virtually no change was observed upon reacting with CO2 in the corresponding [P66614]+ ILs. When the [P2228]+ cation was replaced with the [P66614]+ cation, there was a significant increase in the intensities of the prepeak and adjacency interaction peak. While many of the liquid structure functions are similar, the actual liquid structures differ as demonstrated by computed spatial distribution functions.

  7. Neutron Inelastic Scattering Study of Liquid Argon

    Energy Technology Data Exchange (ETDEWEB)

    Skoeld, K; Rowe, J M; Ostrowski, G [Solid State Science Div., Argonne National Laboratory, Argonne, Illinois (US); Randolph, P D [Nuclear Technology Div., Idaho Nuclear Corporation, Idaho Falls, Idaho (US)

    1972-02-15

    The inelastic scattering functions for liquid argon have been measured at 85.2 K. The coherent scattering function was obtained from a measurement on pure A-36 and the incoherent function was derived from the result obtained from the A-36 sample and the result obtained from a mixture of A-36 and A-40 for which the scattering is predominantly incoherent. The data, which are presented as smooth scattering functions at constant values of the wave vector transfer in the range 10 - 44/nm, are corrected for multiple scattering contributions and for resolution effects. Such corrections are shown to be essential in the derivation of reliable scattering functions from neutron scattering data. The incoherent data are compared to recent molecular dynamics results and the mean square displacement as a function of time is derived. The coherent data are compared to molecular dynamics results and also, briefly, to some recent theoretical models

  8. [Gamma scattering in condensed matter with high intensity Moessbauer radiation

    International Nuclear Information System (INIS)

    1992-01-01

    This report discusses: quasielastic scattering studies on glycerol; gamma-ray scattering from alkali halides; lattice dynamics in metals; Moessbauer neutron scattering, x-ray diffraction, and macroscopic studies of high T c superconductors containing tungsten; NiAl scattering studies; and atomic interference factors and nuclear Casimir effect

  9. Motivations of Russian firms to invest abroad: how do sanctions affect Russia’s outward foreign direct investment?

    Directory of Open Access Journals (Sweden)

    Liuhto Kari

    2015-12-01

    Full Text Available In 2013, Russia’s outward foreign direct investment (OFDI soared and the OFDI stock exceeded $ 500 billion. However, a year later, Russia’s OFDI dropped by nearly 15 per cent. Rapid upward and downward swings make it necessary to analyze the motivation of Russian firms to invest abroad as well as to assess the impact of sanctions on Russian OFDI. The author points out that a significant part of Russia’s outward FDI stock is accounted for by the operations of Russian corporations in their home market. It is concluded that although Western sanctions target a relatively small number of Russian citizens and companies, they nevertheless affect some of Russia’s key people, largest banks, and hydrocarbon producers. Therefore, their direct impact could be substantial. Alongside the direct impact, one should consider their indirect impact, such as the tumbling rouble exchange rate and Russian banks’ increasing interest rates, which decrease Russian firms’ capability to invest abroad. Moreover, a less amicable politic al atmosphere in the West may push some Russian corporations out of the Western markets and diminish the enthusiasm of new ones to enter them. Today, Russia’s counter-sanctions do not directly restrict the country’s OFDI, but Russian state-owned enterprises may reach a decision to hold foreign investments to support Russia’s sanction policy.

  10. The German model of capitalism and the persistence of outward foreign direct investment: evidence from German manufacturing industries

    Directory of Open Access Journals (Sweden)

    Martin T Bohl

    2011-06-01

    Full Text Available Against the backdrop of critique on the German model of capitalism in general, and German public policy in particular as to the ability to successfully adjust to rapid change and exogenous shocks in wake of economic globalisation, this paper investigates the degree of shock persistence in foreign direct investment (FDI of ten German manufacturing industries for the period 1976 to 2003. Theory on exports and non-FDI investment suggests that FDI should exhibit a considerable degree of shock persistence because they are subject to high sunk costs because of high entry and exit costs associated with the high level of asset specificity that is normally connected to FDI. Persistence in foreign direct investment time series data is established by applying various unit root tests. The results are robust to the potential presence of structural breaks in the data. The empirical analysis shows that German outward FDI in mature manufacturing industries, with one exception, exhibits a high degree of shock persistence. The results suggest, at least for mature German industries, that the sunk costs view on shock persistency is confirmed for outward FDI. The results furnish evidence for a tentative assessment of the relationship between German public policy and FDI strategies of multinational firms.

  11. Elastic scattering

    International Nuclear Information System (INIS)

    Leader, Elliot

    1991-01-01

    With very few unexplained results to challenge conventional ideas, physicists have to look hard to search for gaps in understanding. An area of physics which offers a lot more than meets the eye is elastic and diffractive scattering where particles either 'bounce' off each other, emerging unscathed, or just graze past, emerging relatively unscathed. The 'Blois' workshops provide a regular focus for this unspectacular, but compelling physics, attracting highly motivated devotees

  12. Scattering theory

    CERN Document Server

    Friedrich, Harald

    2016-01-01

    This corrected and updated second edition of "Scattering Theory" presents a concise and modern coverage of the subject. In the present treatment, special attention is given to the role played by the long-range behaviour of the projectile-target interaction, and a theory is developed, which is well suited to describe near-threshold bound and continuum states in realistic binary systems such as diatomic molecules or molecular ions. It is motivated by the fact that experimental advances have shifted and broadened the scope of applications where concepts from scattering theory are used, e.g. to the field of ultracold atoms and molecules, which has been experiencing enormous growth in recent years, largely triggered by the successful realization of Bose-Einstein condensates of dilute atomic gases in 1995. The book contains sections on special topics such as near-threshold quantization, quantum reflection, Feshbach resonances and the quantum description of scattering in two dimensions. The level of abstraction is k...

  13. Validity of Dynamic Light Scattering Method to Analyze a Range of Gold and Copper Nanoparticle Sizes Attained by Solids Laser Ablation in Liquid

    Directory of Open Access Journals (Sweden)

    Yu. V. Golubenko

    2014-01-01

    Full Text Available Nanoparticles of metals possess a whole series of features, concerned with it’s sizes, this leads to appearing or unusual electromagnetic and optical properties, which are untypical for particulates.An extended method of receiving nanoparticles by means of laser radiation is pulse laser ablation of hard targets in liquid medium.Varying the parameters of laser radiation, such as wavelength of laser radiation, energy density, etc., we can operate the size and shape of the resultant particles.The greatest trend of application in medicine have the nanoparticles of iron, copper, silver, silicon, magnesium, gold and zinc.The subject matter in this work is nanoparticles of copper and gold, received by means of laser ablation of hard targets in liquid medium.The aim of exploration, represented in the article, is the estimation of application of the dynamic light scattering method for determination of the range of nanoparticles sizes in the colloidal solution.For studying of the laser ablation process was chosen the second harmonic of Nd:YAG laser with the wavelength of 532 nm. Special attention was spared for the description of the experiment technique of receiving of nanoparticles.As the liquid medium ethanol and distillation water were used.For exploration of the received colloidal system have been used the next methods: DLS, transmission electron microscopy (TEM and scanning electron microscopy (SEM.The results of measuring by DLS method showed that colloidal solution of the copper in the ethanol is the steady system. Copper nanoparticle’s size reaches 200 nm and is staying in the same size for some time.Received system from the gold’s nanoparticles is polydisperse, unsteady and has a big range of the nanoparticle’s sizes. This fact was confirmed by means of photos, got from the TEM FEI Tecnai G2F20 + GIF and SEM Helios NanoLab 660. The range of the gold nanoparticle’s sizes is from 5 to 60 nm. So, it has been proved that the DLS method is

  14. Analysis of nano-sized irradiation-induced defects in Fe-base materials by means of small angle neutron scattering and molecular dynamics simulations

    International Nuclear Information System (INIS)

    Yu, G.

    2008-12-01

    of RAFM steels with Molecular Dynamics (MD) simulations of main expected nano-sized defects in irradiated pure Fe and Fe-He alloys, as model materials for RAFM steels, and simulations of their corresponding TEM images and SANS signals. In particular, the SANS signal of various types of defects was simulated for the first time. The methodology used in this work was the following: (i) SANS experiments were performed by applying a strong saturating magnetic field to unirradiated and irradiated specimens of three types of RAFM steels, namely the European EUROFER 97, the Japanese F82H and the Swiss OPTIMAX A steels. The available irradiated specimens included specimens which had been irradiated with 590 MeV protons in the Proton IRradiation EXperiment (PIREX) facility at the Paul Scherrer Institute (PSI) at temperatures in the range of 50-350 °C to doses in the range of 0.3-2.0 dpa. SANS spectra as well as values of the so-called A ratio, which represents the ratio of the total scattered intensity to the nuclear scattered intensity, were obtained for the various irradiation doses and temperatures investigated. (ii) MD simulations of atomic displacement cascades in pure Fe and in Fe-He alloys were performed using Embedded Atom Method (EAM) many-body interatomic potentials. The main nano-sized defects that should be produced in RAFM steels under irradiation were created by means of MD in pure Fe. These included dislocation loops of various types, voids, helium bubbles with various He concentration and Cr precipitates. (iii) TEM images of cascade damage and all the defects created by MD were simulated in the dark field/weak beam imaging modes by using the Electron Microscopy Software (EMS) developed by P.A. Stadelmann (EPFL) and analyzed in terms of variations of contrast intensities versus depth inside the specimen. (iv) The SANS signal provided by cascade damage and all the defects created by MD was simulated by using a slightly modified version of EMS, accounting for

  15. Life at extreme conditions: Neutron scattering studies of biological

    Indian Academy of Sciences (India)

    Extremophile bacteria; molecular adaptation; halophile; water dynamics; protein dynamics. ... Results of neutron scattering measurements on the dynamics of proteins ... The experiments were performed on a halophilic protein, and membrane ...

  16. Some thoughts on the future of neutron scattering

    International Nuclear Information System (INIS)

    Egelstaff, P.A.

    1991-01-01

    Attendance of ICANS meetings believe that neutron scattering has a bright future, but critics of neutron scattering argue that its practitioners are an aging group, that they use a few, very expensive neutron sources and that the interesting science may be done by other techniques. The ICANS committee asked me to comment on the future of neutron scattering in the light of this contrast. Some comments will be made on the age distribution, on the proper distribution of sources, on the convenient availability of neutron instruments and methods, on the expansion into new areas of science, on applications to industry and on the probable impact of synchrotron sources. It is hoped that these comments will lead to an outward looking discussion on the future. (author)

  17. Spectrometer for Particle Characterization With a New Multiple-Scattering Theory, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — There are two major commercial types of light-scattering particle size analyzers: Static Light Scattering and Dynamic Light Scattering. They are expensive, delicate,...

  18. Factors Attributing to Outwards Direct Investments from Developing Countries to Developed Countries: Evidence from China and India

    Directory of Open Access Journals (Sweden)

    Diyah Ayu Amalia Avina

    2016-12-01

    Full Text Available The purpose of this research is to explore the growing trend of outward foreign direct investments (OFDIs from developing countries to developed countries. Market-seeking and strategic asset explorations are the main motivations for conducting OFDIs in developed countries. Meanwhile, cross-border greenfield investments and cross-border mergers and acquisitions are the main entry strategies used by developing countries when penetrating the developed markets. Finally, this paper reveals mixed results about the explaining ability of John Dunning’s International Development Path (IDP theory on the patterns of selected developing markets' OFDIs to developed countries. On the one hand, China’s OFDIs follow the paths in the IDP theory. On the other hand, those of India do not confirm so.

  19. Outward Foreign Direct Investment from BRIC countries: Comparing strategies of Brazilian, Russian, Indian and Chinese multinational companies

    Directory of Open Access Journals (Sweden)

    Wladimir Andreff

    2015-12-01

    Full Text Available An overall comparative study of outward foreign direct investment (OFDI from BRIC countries and strategies conducted by multinational companies (MNCs based in the BRICs is elaborated on with a same methodology for Brazil, Russia, India and China. The comparison pertains to the historical emergence of firms’ internationalisation, their booming expansion in the 2000s then their muddling through the current crisis, the specificities of OFDI from each home country, OFDI geographical distribution and industrial structure, econometric testing of the respective determinants of Brazilian, Russian, Indian and Chinese OFDI, and the role of home countries’ governments vis-à-vis home-based MNCs. Beyond some common characteristics, BRICs’ MNCs exhibit a number of major country-specific features.

  20. 5-HT modulation of hyperpolarization-activated inward current and calcium- dependent outward current in a crustacean motor neuron

    DEFF Research Database (Denmark)

    Kiehn, O.; Harris-Warrick, R. M.

    1992-01-01

    1. Serotonergic modulation of a hyperpolarization-activated inward current, I(h), and a calcium-dependent outward current, I(o(Ca)), was examined in the dorsal gastric (DG) motor neuron, with the use of intracellular recording techniques in an isolated preparation of the crab stomatogastric....... The time course of activation of I(h) was well fitted by a single exponential function and strongly voltage dependent. 5-HT increased the rate of activation of I(h). 5- HT also slowed the rate of deactivation of the I(h) tail on repolarization to -50 mV. 6. The activation curve for the conductance (G...... reduced or eliminated the 5-HT response in the depolarizing range, suggesting that 5-HT specifically reduces I(o(Ca)). 11. These results demonstrate that 5-HT has dual effects on the DG motor neuron, in the crab stomatogastric ganglion. We suggest that changes in the two conductances are responsible...

  1. Applications of thermal neutron scattering

    International Nuclear Information System (INIS)

    Kostorz, G.

    1978-01-01

    Although in the past neutrons have been used quite frequently in the study of condensed matter, a more recent development has lead to applications of thermal neutron scattering in the investigation of more practical rather than purely academic problems. Physicists, chemists, materials scientists, biologists, and others have recognized and demonstrated that neutron scattering techniques can yield supplementary information which, in many cases, could not be obtained with other methods. The paper illustrates the use of neutron scattering in these areas of applied research. No attempt is made to present all the aspects of neutron scattering which can be found in textbooks. From the vast amount of experimental data, only a few examples are presented for the study of structure and atomic arrangement, ''extended'' structure, and dynamic phenomena in substances of current interest in applied research. (author)

  2. Solvation dynamics monitored by combined X-ray spectroscopies and scattering: photoinduced spin transition in aqueous [Fe(bpy)3]2+

    DEFF Research Database (Denmark)

    Bressler, C.; Gawelda, W.; Galler, A.

    2014-01-01

    We have studied the photoinduced low spin (LS) to high spin (HS) conversion of aqueous Fe(bpy)3 with pulse-limited time resolution. In a combined setup permitting simultaneous X-ray diffuse scattering (XDS) and spectroscopic measurements at a MHz repetition rate we have unraveled the interplay be...

  3. Bibliography for thermal neutron scattering

    International Nuclear Information System (INIS)

    Sakamoto, Masanobu; Chihara, Junzo; Gotoh, Yorio; Kadotani, Hiroyuki; Sekiya, Tamotsu.

    1979-09-01

    Bibliographic references are given for measurements, calculations, reviews and basic studies of thermal neutron scattering and dynamical properties of condensed matter. This is the sixth edition covering 3,326 articles collected up to 1978. The edition being the final issue of the present bibliography series, a forthcoming edition will be published in a new form of bibliography. (author)

  4. What's new in nuclear photon scattering

    Energy Technology Data Exchange (ETDEWEB)

    Hayward, E. [National Bureau of Standards, Washington, DC (USA); Ikegami, H.; Muraoka, M. [eds.; Osaka Univ., Suita (Japan). Research Center for Nuclear Physics

    1980-01-01

    Our present understanding of photon scattering is reviewed. The results of new experiments to test the Dynamic Collective Model are summarized. An experimental measurement of the E2 strength in /sup 12/C is described.

  5. Significance of collective motions in biopolymers and neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Go, Nobuhiro [Kyoto Univ. (Japan)

    1996-05-01

    Importance of collective variable description of conformational dynamics of biopolymers and the vital role that neutron inelastic scattering phenomena would play in its experimental determination are discussed. (author)

  6. Group theory approach to scattering

    International Nuclear Information System (INIS)

    Wu, J.

    1985-01-01

    For certain physical systems, there exists a dynamical group which contains the operators connecting states with the same energy but belonging to potentials with different strengths. This group is called the potential group of that system. The SO(2,1) potential groups structure is introduced to describe physical systems with mixed spectra, such as Morse and Poeschl-teller potentials. The discrete spectrum describes bound states and the continuous spectrum describes bound states and the continuous spectrum describes scattering states. A solvable class of one-dimensional potentials given by Natanzon belongs to this structure with an SO(2,2) potential group. The potential group structure provides us with an algebraic procedure generating the recursion relations for the scattering matrix, which can be formulated in a purely algebraic fashion, divorced from any differential realization. This procedure, when applied to the three-dimensional scattering problem with SO(3,1) symmetry, generates the scattering matrix of the Coulomb problem. Preliminary phenomenological models for elastic scattering in a heavy-ion collision are constructed on the basis. The results obtained here can be regarded as an important extension of the group theory techniques to scattering problems similar to that developed for bound state problems

  7. [Inelastic electron scattering from surfaces

    International Nuclear Information System (INIS)

    1993-01-01

    This program uses ab-initio and multiple scattering to study surface dynamical processes; high-resolution electron-energy loss spectroscopy is used in particular. Off-specular excitation cross sections are much larger if electron energies are in the LEED range (50--300 eV). The analyses have been extended to surfaces of ordered alloys. Phonon eigenvectors and eigenfrequencies were used as inputs to electron-energy-loss multiple scattering cross section calculations. Work on low-energy electron and positron holography is mentioned

  8. Inelastic scattering of fast electrons by crystals

    International Nuclear Information System (INIS)

    Allen, L.J.; Josefsson, T.W.

    1995-01-01

    Generalized fundamental equations for electron diffraction in crystals, which include the effect of inelastic scattering described by a nonlocal interaction, are derived. An expression is obtained for the cross section for any specific type of inelastic scattering (e.g. inner-shell ionization, Rutherford backscattering). This result takes into account all other (background) inelastic scattering in the crystal leading to absorption from the dynamical Bragg-reflected beams, in practice mainly due to thermal diffuse scattering. There is a contribution to the cross section from all absorbed electrons, which form a diffuse background, as well as from the dynamical electrons. The approximations involved, assuming that the interactions leading to inelastic scattering can be described by a local potential are discussed, together with the corresponding expression for the cross section. It is demonstrated by means of an example for K-shell electron energy loss spectroscopy that nonlocal effects can be significant. 47 refs., 4 figs

  9. Moving inwards, moving outwards, moving upwards: the role of spirituality during the early stages of breast cancer.

    Science.gov (United States)

    Swinton, J; Bain, V; Ingram, S; Heys, S D

    2011-09-01

    The paper reflects on a study which explored the role of spirituality in the lives of women during the first year after being diagnosed with breast cancer. The study utilised a qualitative method (hermeneutic phenomenology) designed to provide rich and thick understanding of women's experiences of breast cancer and to explore possible ways in which spirituality may, or may not, be beneficial in enabling coping and enhancing quality of life. The paper draws on the thinking of David Hay and Viktor Frankl to develop a model of spirituality that includes, but is not defined by, religion and that has the possibility to facilitate effective empirical enquiry. It outlines a threefold movement - inwards, outwards and upwards - that emerged from in-depth interviews with women who have breast cancer. This framework captures something of the spiritual movement that women went through on their cancer journeys and offers some pointers and possibilities for better and more person-centred caring approaches that include recognition of the spiritual dimension of women's experiences for the management of those with breast cancer. © 2011 Blackwell Publishing Ltd.

  10. Bidirectional optical scattering facility

    Data.gov (United States)

    Federal Laboratory Consortium — Goniometric optical scatter instrument (GOSI)The bidirectional reflectance distribution function (BRDF) quantifies the angular distribution of light scattered from a...

  11. Applications of Neutron Scattering in the Chemical Industry: Proton Dynamics of Highly Dispersed Materials, Characterization of Fuel Cell Catalysts, and Catalysts from Large-Scale Chemical Processes

    Science.gov (United States)

    Albers, Peter W.; Parker, Stewart F.

    The attractiveness of neutron scattering techniques for the detailed characterization of materials of high degrees of dispersity and structural complexity as encountered in the chemical industry is discussed. Neutron scattering picks up where other analytical methods leave off because of the physico-chemical properties of finely divided products and materials whose absorption behavior toward electromagnetic radiation and electrical conductivity causes serious problems. This is demonstrated by presenting typical applications from large-scale production technology and industrial catalysis. These include the determination of the proton-related surface chemistry of advanced materials that are used as reinforcing fillers in the manufacture of tires, where interrelations between surface chemistry, rheological properties, improved safety, and significant reduction of fuel consumption are the focus of recent developments. Neutron scattering allows surface science studies of the dissociative adsorption of hydrogen on nanodispersed, supported precious metal particles of fuel cell catalysts under in situ loading at realistic gas pressures of about 1 bar. Insight into the occupation of catalytically relevant surface sites provides valuable information about the catalyst in the working state and supplies essential scientific input for tailoring better catalysts by technologists. The impact of deactivation phenomena on industrial catalysts by coke deposition, chemical transformation of carbonaceous deposits, and other processes in catalytic hydrogenation processes that result in significant shortening of the time of useful operation in large-scale plants can often be traced back in detail to surface or bulk properties of catalysts or materials of catalytic relevance. A better understanding of avoidable or unavoidable aspects of catalyst deactivation phenomena under certain in-process conditions and the development of effective means for reducing deactivation leads to more energy

  12. The dynamics of molecular dimers in the crystals of m-aminobenzoic acid studied by inelastic neutron scattering (INS), Raman, IR spectroscopy and DFT calculations

    Energy Technology Data Exchange (ETDEWEB)

    Pawlukojc, A.; Leciejewicz, J

    2004-03-29

    Inelastic neutron scattering, Raman and IR spectra were measured for m-aminobenzoic acid (MABA). Optimized geometries and observed frequencies were assigned using DFT calculation on the B3LYP/6-311G** level using Gaussian 98 and Gamess programs. Experimental structural and spectroscopic data are in good agreement with computations assuming the presence in the crystals of molecular dimers composed of two MABA molecules linked by a pair of O-H...O hydrogen bonds each provided by the carboxylic group. INS frequencies have been identified for the O-H (out of plane) mod0008.

  13. Crystal structure and dynamics of K2-x(NH4)xSeO4 mixed crystals studied by x-ray and neutron scattering

    International Nuclear Information System (INIS)

    Smirnov, L.S.; Natkaniec, I.; Loose, A.

    2006-01-01

    The K 2-x (NH 4 ) x SeO 4 mixed crystals have been studied by powder X-ray and neutron diffraction and inelastic incoherent neutron scattering in a wide temperature range from 300 to 16 K. No phase transition is observed in (NH 4 ) 2 SeO 4 in the range from room temperature to 20 K. The reorientation potential barriers of ammonium ions in the K 2-x (NH 4 ) x SeO 4 mixed crystals increase with the increasing concentration of ammonium ions

  14. Multi-Scale Scattering Transform in Music Similarity Measuring

    Science.gov (United States)

    Wang, Ruobai

    Scattering transform is a Mel-frequency spectrum based, time-deformation stable method, which can be used in evaluating music similarity. Compared with Dynamic time warping, it has better performance in detecting similar audio signals under local time-frequency deformation. Multi-scale scattering means to combine scattering transforms of different window lengths. This paper argues that, multi-scale scattering transform is a good alternative of dynamic time warping in music similarity measuring. We tested the performance of multi-scale scattering transform against other popular methods, with data designed to represent different conditions.

  15. Pulsar high energy emission due to inverse Compton scattering

    Energy Technology Data Exchange (ETDEWEB)

    Lyutikov, Maxim

    2013-06-15

    We discuss growing evidence that pulsar high energy is emission is generated via Inverse Compton mechanism. We reproduce the broadband spectrum of Crab pulsar, from UV to very high energy gamma-rays - nearly ten decades in energy, within the framework of the cyclotron-self-Compton model. Emission is produced by two counter-streaming beams within the outer gaps, at distances above ∼ 20 NS radii. The outward moving beam produces UV-X-ray photons via Doppler-booster cyclotron emission, and GeV photons by Compton scattering the cyclotron photons produced by the inward going beam. The scattering occurs in the deep Klein-Nishina regime, whereby the IC component provides a direct measurement of particle distribution within the magnetosphere. The required plasma multiplicity is high, ∼10{sup 6} – 10{sup 7}, but is consistent with the average particle flux injected into the pulsar wind nebula.

  16. Lattice dynamics at high pressure: application of inelastic X-ray scattering and ab-initio calculations -MgO at 35 GPa

    International Nuclear Information System (INIS)

    Ghose, Subrata

    2006-01-01

    Full text: Until recently, inelastic neutron scattering (INS) has been extensively used to study the phonon dispersion throughout the Brillouin zone and phonon density of states in crystalline materials. The weak interaction of neutrons with matter and the typical size of the neutron beams require the use of cm-size single crystals that puts an upper limit to the measurement of phonon dispersion at high pressure to about 10-15 Gpa by INS. Inelastic X-ray scattering (IXS) using third generation synchrotron sources now makes it possible to measure the phonon dispersion at high pressures up to 50 GP A in crystals tens of microns in size mounted in a diamond-anvil cell, usually using He as the pressure transmitting medium. We have used this technique to measure the longitudinal acoustic and optic phonon branches of MgO along the Γ-X direction at 35 Gpa. The experimentally observed phonon-branches are in remarkable agreement with ab-initio quantum mechanical calculations using the density-functional perturbation theory. The derived thermodynamic properties, such as specific heat and the entropy are in very good agreement with values obtained from a thermodynamically assessed data set

  17. Ammonium dynamics in the disordered α-phase of K1-x(NH4)xY (Y = Cl, Br, I). A neutron scattering study

    International Nuclear Information System (INIS)

    Natkaniec, I.; Smirnov, L.S.; Shuvalov, L.A.

    2002-01-01

    The effect of temperature and concentration on the lattice parameters and amplitude-weighted phonon density of states in mixed salts of ammonium-potassium halides is investigated by neutron powder diffraction and incoherent inelastic neutron scattering. In the disordered α-phase (NaCl type) ammonium ions exhibit a fast stochastic reorientation at phonon frequency rates down to ca. 80 K. At 10 K, the incoherent inelastic neutron scattering spectra display four distinct ammonium excitations: two (resonant) modes below and two (localized) above the Debye cut-off energy of potassium halides. High-frequency localized modes correspond to translational and librational vibrations of NH 4 ions. These modes are typical for the ordered phases of ammonium halides. The effect of ammonium concentration on localized and resonant modes is studied for the K 1-x (NH 4 ) x I mixed salts. The harmonic excitations of ammonium in a hypothetical low-temperature α-phase of NH 4 I are approximated to ca. 30, 95, 155 and 250 cm -1 . In a real low-temperature ordered γ-phase of NH 4 I, translational ammonium vibrations are observed at ca. 140-160 cm -1 and librational vibrations at ca.300 cm -1

  18. Differential responses of rabbit ventricular and atrial transient outward current (Ito) to the Ito modulator NS5806.

    Science.gov (United States)

    Cheng, Hongwei; Cannell, Mark B; Hancox, Jules C

    2017-03-01

    Transient outward potassium current (I to ) in the heart underlies phase 1 repolarization of cardiac action potentials and thereby affects excitation-contraction coupling. Small molecule activators of I to may therefore offer novel treatments for cardiac dysfunction, including heart failure and atrial fibrillation. NS5806 has been identified as a prototypic activator of canine I to This study investigated, for the first time, actions of NS5806 on rabbit atrial and ventricular I to Whole cell patch-clamp recordings of I to and action potentials were made at physiological temperature from rabbit ventricular and atrial myocytes. 10  μ mol/L NS5806 increased ventricular I to with a leftward shift in I to activation and accelerated restitution. At higher concentrations, stimulation of I to was followed by inhibition. The EC 50 for stimulation was 1.6  μ mol/L and inhibition had an IC 50 of 40.7  μ mol/L. NS5806 only inhibited atrial I to (IC 50 of 18  μ mol/L) and produced a modest leftward shifts in I to activation and inactivation, without an effect on restitution. 10  μ mol/L NS5806 shortened ventricular action potential duration (APD) at APD 20 -APD 90 but prolonged atrial APD NS5806 also reduced atrial AP upstroke and amplitude, consistent with an additional atrio-selective effect on Na + channels. In contrast to NS5806, flecainide, which discriminates between Kv1.4 and 4.x channels, produced similar levels of inhibition of ventricular and atrial I to NS5806 discriminates between rabbit ventricular and atrial I to, with mixed activator and inhibitor actions on the former and inhibitor actions against the later. NS5806 may be of significant value for pharmacological interrogation of regional differences in native cardiac I to . © 2017 The Authors. Physiological Reports published by Wiley Periodicals, Inc. on behalf of The Physiological Society and the American Physiological Society.

  19. Modulation of the transient outward current (Ito) in rat cardiac myocytes and human Kv4.3 channels by mefloquine

    International Nuclear Information System (INIS)

    Perez-Cortes, E.J.; Islas, A.A.; Arevalo, J.P.; Mancilla, C.; Monjaraz, E.; Salinas-Stefanon, E.M.

    2015-01-01

    The antimalarial drug mefloquine, is known to be a potassium channel blocker, although its mechanism of action has not being elucidated and its effects on the transient outward current (I to ) and the molecular correlate, the K v 4.3 channel has not being studied. Here, we describe the mefloquine-induced inhibition of the rat ventricular I to and of CHO cells co-transfected with human K v 4.3 and its accessory subunit hKChIP2C by whole-cell voltage-clamp. Mefloquine inhibited rat I to and hK v 4.3 + KChIP2C currents in a concentration-dependent manner with a limited voltage dependence and similar potencies (IC 50 = 8.9 μM and 10.5 μM for cardiac myocytes and K v 4.3 channels, respectively). In addition, mefloquine did not affect the activation of either current but significantly modified the hK v 4.3 steady-state inactivation and recovery from inactivation. The effects of this drug was compared with that of 4-aminopyridine (4-AP), a well-known potassium channel blocker and its binding site does not seem to overlap with that of 4-AP. - Highlights: • Mefloquine inhibited ventricular I to and hK v 4.3 channels. IC 50 = 8.9 and 10.5 μM. • Inactivation and recovery from inactivation in the hK v 4.3 channels were modified by mefloquine. • Mefloquine displayed a higher affinity for the inactivated state. • The binding site for mefloquine may be located in the extracellular side of the channel.

  20. A study of the quantum classical crossover in the spin dynamics of the 2D S = 5/2 antiferromagnet Rb2MnF4: neutron scattering, computer simulations and analytic theories

    International Nuclear Information System (INIS)

    Huberman, T; Tennant, D A; Cowley, R A; Coldea, R; Frost, C D

    2008-01-01

    We report comprehensive inelastic neutron scattering measurements of the magnetic excitations in the 2D spin-5/2 Heisenberg antiferromagnet Rb 2 MnF 4 as a function of temperature from deep in the Néel ordered phase up to paramagnetic, 0.13 B T/4JS −1 for temperatures up to near the Curie–Weiss temperature, Θ CW . For wavevectors smaller than ξ −1 , relaxational dynamics occurs. The observed renormalization of spin wave energies, and evolution of excitation lineshapes, with increasing temperature are quantitatively compared with finite-temperature spin wave theory and computer simulations for classical spins. Random phase approximation calculations provide a good description of the low temperature renormalization of spin waves. In contrast, lifetime broadening calculated using the first Born approximation shows, at best, modest agreement around the zone boundary at low temperatures. Classical dynamics simulations using an appropriate quantum classical correspondence were found to provide a good description of the intermediate and high temperature regimes over all wavevector and energy scales, and the crossover from quantum to classical dynamics observed around Θ CW /S, where the spin S = 5/2. A characterization of the data over the whole wavevector/energy/temperature parameter space is given. In this, T 2 behaviour is found to dominate the wavevector and temperature dependence of the linewidths over a large parameter range, and no evidence of hydrodynamic behaviour or dynamical scaling behaviour found within the accuracy of the datasets. An efficient and easily implemented classical dynamics methodology is presented that provides a practical method for modelling other semiclassical quantum magnets