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 ...

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 ...

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

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.

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.

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)

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.)

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)...

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 ...

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...

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

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).

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.

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

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.

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.)

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.

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

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

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

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...

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

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.)

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

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.

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.

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

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

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))

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

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)

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

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…

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

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...

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...

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....

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)

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

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)

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

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

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

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

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.

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.

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...

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)

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

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.

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

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.

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

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...

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

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

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

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.

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…

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.

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

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.

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

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

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.

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....

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

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)

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.

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.

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.

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

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.

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

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

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)

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…

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.

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

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.

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.).

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

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)

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.

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.

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

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)

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)

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.

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)

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)

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

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.

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)

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

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.

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.

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.

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

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

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.))

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

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.

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

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)

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...

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)

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)

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

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

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

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

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.

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.

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....

Studies on biological macromolecules by neutron inelastic scattering

International Nuclear Information System (INIS)

Fujiwara, Satoru; Nakagawa, Hiroshi

2013-01-01

Neutron inelastic scattering techniques, including quasielastic and elastic incoherent neutron scattering, provide unique tools to directly measure the protein dynamics at a picosecond time scale. Since the protein dynamics at this time scale is indispensable to the protein functions, elucidation of the protein dynamics is indispensable for ultimate understanding of the protein functions. There are two complementary directions of the protein dynamics studies: one is to explore the physical basis of the protein dynamics using 'model' proteins, and the other is more biology-oriented. Examples of the studies on the protein dynamics with neutron inelastic scattering are described. The examples of the studies in the former direction include the studies on the dynamical transitions of the proteins, the relationship between the protein dynamics and the hydration water dynamics, and combined analysis of the protein dynamics with molecular dynamics simulation. The examples of the studies in the latter direction include the elastic incoherent and quasielastic neutrons scattering studies of actin. Future prospects of the studies on the protein dynamics with neutron scattering are briefly described. (author)

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.

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...

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 .

The effect of scattering on sound field control with a circular double-layer array of loudspeakers

DEFF Research Database (Denmark)

Chang, Jiho; Jacobsen, Finn

2012-01-01

A recent study has shown that a circular double-layer array of loudspeakers makes it possible to achieve a sound field control that can generate a controlled field inside the array and reduce sound waves propagating outside the array. This is useful if it is desirable not to disturb people outside...... the array or to prevent the effect of reflections from the room. The study assumed free field condition, however in practice a listener will be located inside the array. The listener scatters sound waves, which propagate outward. Consequently, the scattering effect can be expected to degrade the performance...

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

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.

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)

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

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

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.

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

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)

Ion-reversibility studies in amorphous solids using the two-atom scattering model

International Nuclear Information System (INIS)

Oen, O.S.

1981-06-01

An analytical two-atom scattering model has been developed to treat the recent discovery of the enhancement near 180 0 of Rutherford backscattering yields from disordered solids. In contrast to conventional calculations of Rutherford backscattering that treat scattering from a single atom only (the backscattering atom), the present model includes the interaction of a second atom lying between the target surface and the backscattering plane. The projectile ion makes a glancing collision with this second atom both before and after it is backscattered. The model predicts an enhancement effect whose physical origin arises from the tolerance of path for those ions whose inward and outward trajectories lie in the vicinity of the critical impact parameter. Results using Moliere scattering show how the yield enhancement depends on ion energy, backscattering depth, exit angle, scattering potential, atomic numbers of the projectile and target, and target density. In the model the critical impact parameter and critical angle play important roles. It is shown that these quantities depend on a single dimensionless parameter and analytical expressions for them are given which are accurate to better than 1%

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.

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.

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

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)

[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.

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.

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...

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.

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)

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

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...

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...

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…

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

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.

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.

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...

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

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.

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...

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...

Spatial distribution of intra-molecular water and polymeric components in polyelectrolyte dendrimers revealed by small angle scattering investigations

Science.gov (United States)

Wu, Bin; Li, Xin; Do, Changwoo; Kim, Tae-Hwan; Shew, Chwen-Yang; Liu, Yun; Yang, Jun; Hong, Kunlun; Porcar, Lionel; Chen, Chun-Yu; Liu, Emily L.; Smith, Gregory S.; Herwig, Kenneth W.; Chen, Wei-Ren

2011-10-01

An experimental scheme using contrast variation small angle neutron scattering technique is developed to investigate the structural characteristics of amine-terminated poly(amidoamine) dendrimers solutions. Using this methodology, we present the dependence of both the intra-dendrimer water and the polymer distribution on molecular protonation, which can be precisely adjusted by tuning the pH of the solution. Assuming spherical symmetry of the spatial arrangement of the constituent components of dendrimer, and that the atomic ratio of hydrogen-to-deuterium for the solvent residing within the cavities of dendrimer is identical to that for the solvent outside the dendrimer, the intra-dendrimer water distribution along the radial direction is determined. Our result clearly reveals an outward relocation of the peripheral groups, as well as enhanced intra-dendrimer hydration, upon increasing the molecular protonation and, therefore, allows the determination of segmental backfolding in a quantitative manner. The connection between these charge-induced structural changes and our recently observed progressively active segmental dynamics is also discussed.

Low energy pion-16O scattering

International Nuclear Information System (INIS)

Wafelbakker, C.K.

1981-01-01

In spite of some outward appearances, the modern microscopic theories of the pion-nucleus (πA) interaction are not fundamentally very different from each other. They can all be derived from the same source, multiple-scattering theory. They all treat the first-order optical potential in a comparatively detailed way and in all of them it is necessary to incorporate higher-order effects in general and pion-annihilation in particular phenomenologically. Basically the same physical features can be embodied in all of them. The presentation of the theoretical scheme underlying the present thesis is designed to stress this conceptual unity of current πA theory. In this thesis the methods developed by De Kam to incorporate Pauli- and binding-corrections to the impulse-approximation first-order optical potential for 4 He are extended to a more complicated nucleus, 16 O, for the first time. In concreto two situations are considered: π- 16 O scattering at energies below nucleon-knockout threshold (13.5 MeV) - 7 and 12 MeV - and at energies 40 and 49.7 MeV, above nucleon-knockout threshold but still well within the low-energy region. (Auth.)

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

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

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.

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.

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

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.

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

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

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.

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.

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.

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.

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.

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.

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)

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...

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.

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.

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...

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.

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

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.

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)

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

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.

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.

Quantum graphs: a simple model for chaotic scattering

International Nuclear Information System (INIS)

Kottos, Tsampikos; Smilansky, Uzy

2003-01-01

We connect quantum graphs with infinite leads, and turn them into scattering systems. We show that they display all the features which characterize quantum scattering systems with an underlying classical chaotic dynamics: typical poles, delay time and conductance distributions, Ericson fluctuations, and when considered statistically, the ensemble of scattering matrices reproduces quite well the predictions of the appropriately defined random matrix ensembles. The underlying classical dynamics can be defined, and it provides important parameters which are needed for the quantum theory. In particular, we derive exact expressions for the scattering matrix, and an exact trace formula for the density of resonances, in terms of classical orbits, analogous to the semiclassical theory of chaotic scattering. We use this in order to investigate the origin of the connection between random matrix theory and the underlying classical chaotic dynamics. Being an exact theory, and due to its relative simplicity, it offers new insights into this problem which is at the forefront of the research in chaotic scattering and related fields

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.

‘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

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

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)

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.

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

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

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

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.

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…

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

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.

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

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

Dynamics of Oxidation of Aluminum Nanoclusters using Variable Charge Molecular-Dynamics Simulations on Parallel Computers

Science.gov (United States)

Campbell, Timothy; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Ogata, Shuji; Rodgers, Stephen

1999-06-01

Oxidation of aluminum nanoclusters is investigated with a parallel molecular-dynamics approach based on dynamic charge transfer among atoms. Structural and dynamic correlations reveal that significant charge transfer gives rise to large negative pressure in the oxide which dominates the positive pressure due to steric forces. As a result, aluminum moves outward and oxygen moves towards the interior of the cluster with the aluminum diffusivity 60% higher than that of oxygen. A stable 40 Å thick amorphous oxide is formed; this is in excellent agreement with experiments.

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

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)

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

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

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)

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

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.

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

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

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....

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.

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.

Simulation of complete neutron scattering experiments: from model systems to liquid germanium

International Nuclear Information System (INIS)

Hugouvieux, V.

2004-11-01

In this thesis, both theoretical and experimental studies of liquids are done. Neutron scattering enables structural and dynamical properties of liquids to be investigated. On the theoretical side, molecular dynamics simulations are of great interest since they give positions and velocities of the atoms and the forces acting on each of them. They also enable spatial and temporal correlations to be computed and these quantities are also available from neutron scattering experiments. Consequently, the comparison can be made between results from molecular dynamics simulations and from neutron scattering experiments, in order to improve our understanding of the structure and dynamics of liquids. However, since extracting reliable data from a neutron scattering experiment is difficult, we propose to simulate the experiment as a whole, including both instrument and sample, in order to gain understanding and to evaluate the impact of the different parasitic contributions (absorption, multiple scattering associated with elastic and inelastic scattering, instrument resolution). This approach, in which the sample is described by its structure and dynamics as computed from molecular dynamics simulations, is presented and tested on isotropic model systems. Then liquid germanium is investigated by inelastic neutron scattering and both classical and ab initio molecular dynamics simulations. This enables us to simulate the experiment we performed and to evaluate the influence of the contributions from the instrument and from the sample on the detected signal. (author)

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.

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....

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.

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...

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)

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.

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.)

Quasielastic neutron scattering in biology: Theory and applications.

Science.gov (United States)

Vural, Derya; Hu, Xiaohu; Lindner, Benjamin; Jain, Nitin; Miao, Yinglong; Cheng, Xiaolin; Liu, Zhuo; Hong, Liang; Smith, Jeremy C

2017-01-01

Neutrons scatter quasielastically from stochastic, diffusive processes, such as overdamped vibrations, localized diffusion and transitions between energy minima. In biological systems, such as proteins and membranes, these relaxation processes are of considerable physical interest. We review here recent methodological advances and applications of quasielastic neutron scattering (QENS) in biology, concentrating on the role of molecular dynamics simulation in generating data with which neutron profiles can be unambiguously interpreted. We examine the use of massively-parallel computers in calculating scattering functions, and the application of Markov state modeling. The decomposition of MD-derived neutron dynamic susceptibilities is described, and the use of this in combination with NMR spectroscopy. We discuss dynamics at very long times, including approximations to the infinite time mean-square displacement and nonequilibrium aspects of single-protein dynamics. Finally, we examine how neutron scattering and MD can be combined to provide information on lipid nanodomains. 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 Elsevier B.V. All rights reserved.

Anisotropic light scattering of individual sickle red blood cells.

Science.gov (United States)

Kim, Youngchan; Higgins, John M; Dasari, Ramachandra R; Suresh, Subra; Park, YongKeun

2012-04-01

We present the anisotropic light scattering of individual red blood cells (RBCs) from a patient with sickle cell disease (SCD). To measure light scattering spectra along two independent axes of elongated-shaped sickle RBCs with arbitrary orientation, we introduce the anisotropic Fourier transform light scattering (aFTLS) technique and measured both the static and dynamic anisotropic light scattering. We observed strong anisotropy in light scattering patterns of elongated-shaped sickle RBCs along its major axes using static aFTLS. Dynamic aFTLS analysis reveals the significantly altered biophysical properties in individual sickle RBCs. These results provide evidence that effective viscosity and elasticity of sickle RBCs are significantly different from those of the healthy RBCs.

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...

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

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.

State-to-state inelastic and reactive molecular beam scattering from surfaces

International Nuclear Information System (INIS)

Lykke, K.R.; Kay, B.D.

1990-01-01

Resonantly enhanced multiphoton ionization (REMPI) laser spectroscopic and molecular beam-surface scattering techniques are coupled to study inelastic and reactive gas-surface scattering with state-to-state specificity. Rotational, vibrational, translational and angular distributions have been measured for the inelastic scattering of HCI and N 2 from Au(111). In both cases the scattering is direct-inelastic in nature and exhibits interesting dynamical features such as rotational rainbow scattering. In an effort to elucidate the dynamics of chemical reactions occurring on surfaces we have extended our quantum-resolved scattering studies to include the reactive scattering of a beam of gas phase H-atoms from a chlorinated metal surface M-CI. The nascent rotational and vibrational distributions of the HCI product are determined using REMPI. The thermochemistry for this reaction on Au indicates that the product formation proceeding through chemisorbed H-atoms is slightly endothermic while direct reaction of a has phase H-atom with M-CI is highly exothermic (ca. 50 kcal/mole). Details of the experimental techniques, results and implications regarding the scattering dynamics are discussed. 55 ref., 8 fig

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

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...

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...

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.)

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.

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

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)

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

Diffuse scattering in metallic tin polymorphs

International Nuclear Information System (INIS)

Wehinger, Björn; Bosak, Alexeï; Piccolboni, Giuseppe; Krisch, Michael; Refson, Keith; Chernyshov, Dmitry; Ivanov, Alexandre; Rumiantsev, Alexander

2014-01-01

The lattice dynamics of the metallic tin β and γ polymorphs has been studied by a combination of diffuse scattering, inelastic x-ray scattering and density functional perturbation theory. The non-symmorphic space group of the β -tin structure results in unusual asymmetry of thermal diffuse scattering. Strong resemblance of the diffuse scattering intensity distribution in β and γ-tin were observed, reflecting the structural relationship between the two phases and revealing the qualitative similarity of the underlying electronic potential. The strong influence of the electron subsystem on inter-ionic interactions creates anomalies in the phonon dispersion relations. All observed features are described in great detail by the density functional perturbation theory for both β - and γ-tin at arbitrary momentum transfers. The combined approach delivers thus a complete picture of the lattice dynamics in harmonic description. (paper)

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

The dynamics of double slab subduction

Science.gov (United States)

Holt, A. F.; Royden, L. H.; Becker, T. W.

2017-04-01

We use numerical models to investigate the dynamics of two interacting slabs with parallel trenches. Cases considered are: a single slab reference, outward dipping slabs (out-dip), inward dipping slabs (in-dip) and slabs dipping in the same direction (same-dip). Where trenches converge over time (same-dip and out-dip systems), large positive dynamic pressures in the asthenosphere are generated beneath the middle plate and large trench-normal extensional forces are transmitted through the middle plate. This results in slabs that dip away from the middle plate at depth, independent of trench geometry. The single slab, the front slab in the same-dip case and both out-dip slabs undergo trench retreat and exhibit stable subduction. However, slabs within the other double subduction systems tend to completely overturn at the base of the upper mantle, and exhibit either trench advance (rear slab in same-dip), or near-stationary trenches (in-dip). For all slabs, the net slab-normal dynamic pressure at 330 km depth is nearly equal to the slab-normal force induced by slab buoyancy. For double subduction, the net outward force on the slabs due to dynamic pressure from the asthenosphere is effectively counterbalanced by the net extensional force transmitted through the middle plate. Thus, dynamic pressure at depth, interplate coupling and lithospheric stresses are closely linked and their effects cannot be isolated. Our results provide insights into both the temporal evolution of double slab systems on Earth and, more generally, how the various components of subduction systems, from mantle flow/pressure to interplate coupling, are dynamically linked.

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

[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

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

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.

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.

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.)

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.

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.

Toward a new polyethylene scattering law determined using inelastic neutron scattering

International Nuclear Information System (INIS)

Lavelle, C.M.; Liu, C.-Y.; Stone, M.B.

2013-01-01

Monte Carlo neutron transport codes such as MCNP rely on accurate data for nuclear physics cross-sections to produce accurate results. At low energy, this takes the form of scattering laws based on the dynamic structure factor, S(Q,E). High density polyethylene (HDPE) is frequently employed as a neutron moderator at both high and low temperatures, however the only cross-sections available are for ambient temperatures (∼300K), and the evaluation has not been updated in quite some time. In this paper we describe inelastic neutron scattering measurements on HDPE at 5 and 294 K which are used to improve the scattering law for HDPE. We review some of the past HDPE scattering laws, describe the experimental methods, and compare computations using these models to the measured S(Q,E). The total cross-section is compared to available data, and the treatment of the carbon secondary scatterer as a free gas is assessed. We also discuss the use of the measurement itself as a scattering law via the one phonon approximation. We show that a scattering law computed using a more detailed model for the Generalized Density of States (GDOS) compares more favorably to this experiment, suggesting that inelastic neutron scattering can play an important role in both the development and validation of new scattering laws for Monte Carlo work. -- Highlights: ► Polyethylene at 5 K and 300 K is measured using inelastic neutron scattering (INS). ► Measurements conducted at the Wide Angular-Range Chopper Spectrometer at SNS. ► Several models for Polyethylene are compared to measurements. ► Improvements to existing models for the polyethylene scattering law are suggested. ► INS is shown to be highly valuable tool for scattering law development

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.

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.

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

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.

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.

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...

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.

PLANET-PLANET SCATTERING LEADS TO TIGHTLY PACKED PLANETARY SYSTEMS

International Nuclear Information System (INIS)

Raymond, Sean N.; Barnes, Rory; Veras, Dimitri; Armitage, Philip J.; Gorelick, Noel; Greenberg, Richard

2009-01-01

The known extrasolar multiple-planet systems share a surprising dynamical attribute: they cluster just beyond the Hill stability boundary. Here we show that the planet-planet scattering model, which naturally explains the observed exoplanet eccentricity distribution, can reproduce the observed distribution of dynamical configurations. We calculated how each of our scattered systems would appear over an appropriate range of viewing geometries; as Hill stability is weakly dependent on the masses, the mass-inclination degeneracy does not significantly affect our results. We consider a wide range of initial planetary mass distributions and find that some are poor fits to the observed systems. In fact, many of our scattering experiments overproduce systems very close to the stability boundary. The distribution of dynamical configurations of two-planet systems may provide better discrimination between scattering models than the distribution of eccentricity. Our results imply that, at least in their inner regions which are weakly affected by gas or planetesimal disks, planetary systems should be 'packed', with no large gaps between planets.

Neutron scattering treatise on materials science and technology

CERN Document Server

Kostorz, G

1979-01-01

Treatise on Materials Science and Technology, Volume 15: Neutron Scattering shows how neutron scattering methods can be used to obtain important information on materials. The book discusses the general principles of neutron scattering; the techniques used in neutron crystallography; and the applications of nuclear and magnetic scattering. The text also describes the measurement of phonons, their role in phase transformations, and their behavior in the presence of crystal defects; and quasi-elastic scattering, with its special merits in the study of microscopic dynamical phenomena in solids and

Design of fiber optic probes for laser light scattering

Science.gov (United States)

Dhadwal, Harbans S.; Chu, Benjamin

1989-01-01

A quantitative analysis is presented of the role of optical fibers in laser light scattering. Design of a general fiber optic/microlens probe by means of ray tracing is described. Several different geometries employing an optical fiber of the type used in lightwave communications and a graded index microlens are considered. Experimental results using a nonimaging fiber optic detector probe show that due to geometrical limitations of single mode fibers, a probe using a multimode optical fiber has better performance, for both static and dynamic measurements of the scattered light intensity, compared with a probe using a single mode fiber. Fiber optic detector probes are shown to be more efficient at data collection when compared with conventional approaches to measurements of the scattered laser light. Integration of fiber optic detector probes into a fiber optic spectrometer offers considerable miniaturization of conventional light scattering spectrometers, which can be made arbitrarily small. In addition static and dynamic measurements of scattered light can be made within the scattering cell and consequently very close to the scattering center.

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.

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

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.

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 ...

CHEMICAL APPLICATIONS OF INELASTIC X-RAY SCATTERING

Energy Technology Data Exchange (ETDEWEB)

HAYASHI,H.; UDAGAWA,Y.; GILLET,J.M.; CALIEBE,W.A.; KAO,C.C.

2001-08-01

Inelastic x-ray scattering (IXS), complementary to other more established inelastic scattering probes, such as light scattering, electron scattering, and neutron scattering, is becoming an important experimental technique in the study of elementary excitations in condensed matters. Over the past decade, IXS with total energy resolution of few meV has been achieved, and is being used routinely in the study of phonon dispersions in solids and liquids as well as dynamics in disordered and biological systems. In the study of electronic excitations, IXS with total energy resolution on the order of 100 meV to 1 eV is gaining wider applications also. For example, IXS has been used to study collective excitations of valence electrons, single electron excitations of valence electrons, as well as core electron excitations. In comparison with the alternative scattering techniques mentioned above, IXS has several advantages. First, IXS probes the full momentum transfer range of the dielectric response of the sample, whereas light scattering is limited to very small momentum transfers, and electron scattering suffers the effects of multiple scattering at large momentum transfers. Second, since IXS measures the bulk properties of the sample it is not surface sensitive, therefore it does not require special preparation of the sample. The greater flexibility in sample conditions and environments makes IXS an ideal probe in the study of liquids and samples under extreme temperature, pressure, and magnetic field. Third, the tunability of synchrotron radiation sources enables IXS to exploit element specificity and resonant enhancement of scattering cross sections. Fourth, IXS is unique in the study of dynamics of liquids and amorphous solids because it can probe the particular region of energy-momentum transfer phase space, which is inaccessible to inelastic neutron scattering. On the other hand, the main disadvantages of IXS are the small cross sections and the strong absorption of

Neutron Brillouin scattering in dense fluids

Energy Technology Data Exchange (ETDEWEB)

Verkerk, P [Technische Univ. Delft (Netherlands); FINGO Collaboration

1997-04-01

Thermal neutron scattering is a typical microscopic probe for investigating dynamics and structure in condensed matter. In contrast, light (Brillouin) scattering with its three orders of magnitude larger wavelength is a typical macroscopic probe. In a series of experiments using the improved small-angle facility of IN5 a significant step forward is made towards reducing the gap between the two. For the first time the transition from the conventional single line in the neutron spectrum scattered by a fluid to the Rayleigh-Brillouin triplet known from light-scattering experiments is clearly and unambiguously observed in the raw neutron data without applying any corrections. Results of these experiments are presented. (author).

Methods of contrast variation by nuclear polarisation in small-angle neutron scattering: Observation of domains of nuclear polarisation by neutron scattering

International Nuclear Information System (INIS)

Leymarie, E.

2002-11-01

In this thesis we study the theoretical and experimental aspects of Contrast Variation by Nuclear Polarization (CVNP) applied to small-angle neutron scattering. The basics of neutron scattering theory is developed by highlighting the origin of the CVNP method: the strong spin dependence of thermal neutron scattering, especially on protons. We also present the principles of NMR with a special attention on the method of dynamic nuclear polarization by the solid effect which makes it possible to control the proton polarization and therefore the contrast for neutron scattering. We present a theoretical study of the CVNP method called static which supposes that the nuclear polarization is homogeneous in the sample and constant during the experiment. We show that it allows one to obtain partial structure functions of systems with multiple components, by carrying out several acquisitions with different polarizations on a single sample. For this purpose, we tested a simple device to stabilize the nuclear polarization. We describe finally a new application of the CVNP method called dynamic. In a solution of deuterated glycerol-water containing a small concentration of paramagnetic centres, we showed the existence of domains of polarized protons at the onset of dynamic polarization. This reinforces considerably the coherent scattering of paramagnetic centres. We describe the theoretical reasons explaining the appearance of these domains of polarization, as well as the various techniques used to observe them by neutron scattering. (author)

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.

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.

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.

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.

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.

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

Differences in the neutralization of 2.4--10 keV Ne+ scattered from the Cu and Au atoms of an alloy surface

International Nuclear Information System (INIS)

Buck, T.M.; Wallace, W.E.; Baragiola, R.A.; Wheatley, G.H.; Rothman, J.B.; Gorte, R.J.; Tittensor, J.G.

1993-01-01

The neutralization behavior of low-energy Ne + ions scattered from a compositionally ordered Cu 3 Au(100) surface has been studied over a range of incident energy E 0 from 2.4 to 10 keV. Ion fractions of Ne scattered from Cu atoms in the first, or first two, atom layers exhibited a sharp increase setting in at an E 0 of 4--5 keV, reaching 70% at 10 keV for first-layer scattering. Inelastic energy losses, up to 130 eV, and Auger electron emission from Ne scattered from Cu, were also observed at incident energies above 4 keV. Ne scattered from the Au atoms on the same Cu 3 Au(100) surface showed only the usual velocity-dependent Auger and resonance neutralization. An explanation of the Cu results is given in terms of Ne 2s vacancy creation during the close collision of Ne, which is neutralized on the inward path, followed by autoionization on the outward path after scattering into the vacuum. Conversely, Ne cannot approach Au closely enough to form an appropriate inner-shell vacancy. This is due to the higher Coulombic repulsion created by the greater charge of the Au nucleus

Radial flow gas dynamic laser

International Nuclear Information System (INIS)

Damm, F.C.

1975-01-01

The unique gas dynamic laser provides outward radial supersonic flow from a toroidal shaped stacked array of a plurality of nozzles, through a diffuser having ring shaped and/or linear shaped vanes, and through a cavity which is cylindrical and concentric with the stacked array, with the resultant laser beam passing through the housing parallel to the central axis of the diffuser which is coincident with the axis of the gas dynamic laser. Therefore, greater beam extraction flexibility is attainable, because of fewer flow shock disturbances, as compared to the conventional unidirectional flow gas dynamic laser in which unidirectional supersonic flow sweeps through a rectangular cavity and is exhausted through a two-dimensional diffuser. (auth)

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)

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

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.

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.

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,...

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...

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

Planet-planet scattering leads to tightly packed planetary systems

OpenAIRE

Raymond, Sean N.; Barnes, Rory; Veras, Dimitri; Armitage, Philip J.; Gorelick, Noel; Greenberg, Richard

2009-01-01

The known extrasolar multiple-planet systems share a surprising dynamical attribute: they cluster just beyond the Hill stability boundary. Here we show that the planet-planet scattering model, which naturally explains the observed exoplanet eccentricity distribution, can reproduce the observed distribution of dynamical configurations. We calculated how each of our scattered systems would appear over an appropriate range of viewing geometries; as Hill stability is weakly dependent on the masse...

Neutron scattering studies of solid electrolytes

International Nuclear Information System (INIS)

Shapiro, S.M.

1976-01-01

The role which neutron scattering can play in determining the nature of the disorder and the conducting mechanism in the solid electrolytes is discussed. First, some of the general formalism for elastic and inelastic neutron scattering is reviewed, and the quantities which can be measured are pointed out. Then the application of neutron scattering to the studies of three different problems is examined; the anion disorder in the fluorite system, the dynamical behavior in beta-alumina, and the cation diffusion in αAgI are discussed. 8 figures

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

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.

Neutron scattering at the high-flux isotope reactor

International Nuclear Information System (INIS)

Cable, J.W. Chakoumakos, B.C.; Dai, P.

1995-01-01

The title facilities offer the brightest source of neutrons in the national user program. Neutron scattering experiments probe the structure and dynamics of materials in unique and complementary ways as compared to x-ray scattering methods and provide fundamental data on materials of interest to solid state physicists, chemists, biologists, polymer scientists, colloid scientists, mineralogists, and metallurgists. Instrumentation at the High- Flux Isotope Reactor includes triple-axis spectrometers for inelastic scattering experiments, a single-crystal four diffractometer for crystal structural studies, a high-resolution powder diffractometer for nuclear and magnetic structure studies, a wide-angle diffractometer for dynamic powder studies and measurements of diffuse scattering in crystals, a small-angle neutron scattering (SANS) instrument used primarily to study structure-function relationships in polymers and biological macromolecules, a neutron reflectometer for studies of surface and thin-film structures, and residual stress instrumentation for determining macro- and micro-stresses in structural metals and ceramics. Research highlights of these areas will illustrate the current state of neutron science to study the physical properties of materials

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…

Application of neutron scattering in polymers

International Nuclear Information System (INIS)

Han, C.C.

2003-01-01

Full text: Neutron scattering offers many opportunities in sciences and technology. This is particularly true in the field of polymer sciences and materials. It is mainly because that the scattering length scales (q -1 ) and scattering contrast (scattering cross-sections) makes neutron a perfect tool for polymer studies. Several examples will be used to illustrate the importance of the small angle neutron scattering and the neutron reflection studies in polymer physics. These include the determination of phase diagram, interaction parameter, and spinodal decomposition kinetics by SANS. In the dynamics area, examples will be given to illustrate the critical temperature shift and mixing of polymer blends under shear flow. Also, the confinement effect on the phase separated structure of polymer blend films will be used to demonstrate the importance of the neutron reflectivity measurement

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....

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

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.

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.

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)

Scattering in relativistic particle mechanics

International Nuclear Information System (INIS)

De Bievre, S.

1986-01-01

The problem of direct interaction in relativistic particle mechanics has been extensively studied and a variety of models has been proposed avoiding the conclusions of the so-called no-interaction theorems. In this thesis the authors studied scattering in the relativistic two-body problem. He uses the results to analyze gauge invariance in Hamiltonian constraint models and the uniqueness of the symplectic structure in manifestly covariant relativistic particle mechanics. A general geometric framework that underlies approaches to relativistic particle mechanics is presented and the kinematic properties of the scattering transformation, i.e., those properties that arise solely from the invariance of the theory under the Poincare group are studied. The second part of the analysis of the relativistic two-body scattering problem is devoted to the dynamical properties of the scattering process. Using general geometric arguments, gauge invariance of the scattering transformation in the Todorov-Komar Hamiltonian constraint model is proved. Finally, quantization of the models is discussed

Reconsidering the boundary conditions for a dynamic, transient mode I crack problem

KAUST Repository

Leise, Tanya; Walton, Jay; Gorb, Yuliya

2008-01-01

. In particular, a transient compressive stress wave travels along the crack faces, moving outward from the loading region on the crack face. This does not occur in the quasistatic or steady state problems, and is a special feature of the transient dynamic problem

Pion–nucleon scattering: from chiral perturbation theory to Roy–Steiner equations

International Nuclear Information System (INIS)

Kubis, Bastian; Hoferichter, Martin; Elvira, Jacobo Ruiz de; Meißner, Ulf-G.

2016-01-01

Ever since Weinberg’s seminal predictions of the pion–nucleon scattering amplitudes at threshold, this process has been of central interest for the study of chiral dynamics involving nucleons. The scattering lengths or the pion–nucleon σ-term are fundamental quantities characterizing the explicit breaking of chiral symmetry by means of the light quark masses. On the other hand, pion–nucleon dynamics also strongly affects the long-range part of nucleon–nucleon potentials, and hence has a far-reaching impact on nuclear physics. We discuss the fruitful combination of dispersion-theoretical methods, in the form of Roy–Steiner equations, with chiral dynamics to determine pion–nucleon scattering amplitudes at low energies with high precision.

Pion-nucleon scattering: from chiral perturbation theory to Roy-Steiner equations

Science.gov (United States)

Kubis, Bastian; Hoferichter, Martin; de Elvira, Jacobo Ruiz; Meißner, Ulf-G.

2016-11-01

Ever since Weinberg's seminal predictions of the pion-nucleon scattering amplitudes at threshold, this process has been of central interest for the study of chiral dynamics involving nucleons. The scattering lengths or the pion-nucleon σ-term are fundamental quantities characterizing the explicit breaking of chiral symmetry by means of the light quark masses. On the other hand, pion-nucleon dynamics also strongly affects the long-range part of nucleon-nucleon potentials, and hence has a far-reaching impact on nuclear physics. We discuss the fruitful combination of dispersion-theoretical methods, in the form of Roy-Steiner equations, with chiral dynamics to determine pion-nucleon scattering amplitudes at low energies with high precision.*

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

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.

Chaotic scattering from hydrogen atoms in a circularly polarized laser field

International Nuclear Information System (INIS)

Okon, Elias; Parker, William; Chism, Will; Reichl, Linda E.

2002-01-01

We investigate the classical dynamics of a hydrogen atom in a circularly polarized laser beam with finite radius. The spatial cutoff for the laser field allows us to use scattering processes to examine the laser-atom dynamics. We find that for certain field parameters, the delay times, the angular momentum, and the distance of closest approach of the scattered electron exhibit fractal behavior. This fractal behavior is a signature of chaos in the dynamics of the atom-field system

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.)

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)

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.

On the microscopic foundation of scattering theory

International Nuclear Information System (INIS)

Moser, T.

2007-01-01

The aim of the thesis is to give a contribution to the microscopic foundation of scattering theory, i. e. to show, how the asymptotic formalism of scattering theory with objects like the S-matrix as well the initial and final asymptotics ψ in and ψ out can be derived from a microscopic description of the basic system. First the final statistics from a N-particle system through farly distant surfaces is derived. Thereafter we confine us to the 1-particle scattering and apply the final statistics in order to derive the scattering cross section from a microscopical description of the scattering situation. The basing dynamics are Bohm's mechanics, a theory on the motion of point particles, which reproduces all results of nonrelativistic quantum mechanics

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

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

Neutron scattering studies of the H2a-H2b and (H3-H4)2 histone complexes

International Nuclear Information System (INIS)

Carlson, R.D.

1982-01-01

Neutron scattering experiments have shown that both the (H3-H4) 2 and H2a-H2b histone complexes are quite asymmetric in solution. The (H3-H4) 2 tetramer is an oblate or flattened structure, with a radius of gyration almost as large as that of the core octamer. If the tetramer is primarily globular, it must have an axial ratio of about 1:5. It is more likely, however, that this asymmetry results in part from N-terminal arms that extend outward approximately within the major plane of the particle. If this is the case, less asymmetric models for the globular part of the tetramer, including a dislocated disk, can be made consistent with the scattering data. The H2a-H2b dimer, on the other hand, is an elongated structure. 48 references, 12 figures, 1 table

[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

Stimulated resonant scattering at stressed fused silica surface

International Nuclear Information System (INIS)

Bouchut, Philippe; Reymermier, Maryse

2015-01-01

The radiative emission in CO 2 laser heated stressed fused silica is radically modified when gold microspheres are on the surface. At high heating rates, the emission dynamics changes from thermoluminescence to stimulated resonant scattering with an emission rate that is increased tenfold and the near infrared (NIR) spectrum is red-shifted. We show that the dynamic tensile stress that rises in heated silica is coupled with a fluctuating electromagnetic field that enables electromagnetic friction between moving OH emitters from silica bulk and NIR resonant scatterers at the silica surface. (paper)

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.

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.

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

Diffraction and absorption of inelastically scattered electrons for K-shell ionization

International Nuclear Information System (INIS)

Josefsson, T.W.; Allen, L.J.

1995-01-01

An expression for the nonlocal inelastic scattering cross section for fast electrons in a crystalline environment, which explicitly includes diffraction as well as absorption for the inelastically scattered electrons, is used to carry out realistic calculations of K-shell electron energy loss spectroscopy (EELS) and energy dispersive x-ray (EDX) analysis cross sections. The calculations demonstrate quantitatively why, in EDX spectroscopy, integration over the dynamical states of the inelastically scattered electron averages in such a way that an effective plane wave representation of the scattered electrons is a good approximation. This is only the case for large enough acceptance angles of the detector in an EELS experiment. For EELS with smaller detector apertures, explicit integration over the dynamical final states is necessary and inclusion of absorption for the scattered electrons is important, particularly for thicker crystals. 50 refs., 7 figs

Speckle dynamics under ergodicity breaking

Science.gov (United States)

Sdobnov, Anton; Bykov, Alexander; Molodij, Guillaume; Kalchenko, Vyacheslav; Jarvinen, Topias; Popov, Alexey; Kordas, Krisztian; Meglinski, Igor

2018-04-01

Laser speckle contrast imaging (LSCI) is a well-known and versatile approach for the non-invasive visualization of flows and microcirculation localized in turbid scattering media, including biological tissues. In most conventional implementations of LSCI the ergodic regime is typically assumed valid. However, most composite turbid scattering media, especially biological tissues, are non-ergodic, containing a mixture of dynamic and static centers of light scattering. In the current study, we examined the speckle contrast in different dynamic conditions with the aim of assessing limitations in the quantitative interpretation of speckle contrast images. Based on a simple phenomenological approach, we introduced a coefficient of speckle dynamics to quantitatively assess the ratio of the dynamic part of a scattering medium to the static one. The introduced coefficient allows one to distinguish real changes in motion from the mere appearance of static components in the field of view. As examples of systems with static/dynamic transitions, thawing and heating of Intralipid samples were studied by the LSCI approach.

Applications of thermal neutron scattering in biology, biochemistry and biophysics

International Nuclear Information System (INIS)

Worcester, D.L.

1977-01-01

Biological applications of thermal neutron scattering have increased rapidly in recent years. The following categories of biological research with thermal neutron scattering are presently identified: crystallography of biological molecules; neutron small-angle scattering of biological molecules in solution (these studies have already included numerous measurements of proteins, lippoproteins, viruses, ribosomal subunits and chromatin subunit particles); neutron small-angle diffraction and scattering from biological membranes and membrane components; and neutron quasielastic and inelastic scattering studies of the dynamic properties of biological molecules and materials. (author)

Neutron scattering studies of the H2a-H2b and (H3-H4)/sub 2/ histone complexes

Energy Technology Data Exchange (ETDEWEB)

Carlson, R.D.

1982-01-01

Neutron scattering experiments have shown that both the (H3-H4)/sub 2/ and H2a-H2b histone complexes are quite asymmetric in solution. The (H3-H4)/sub 2/ tetramer is an oblate or flattened structure, with a radius of gyration almost as large as that of the core octamer. If the tetramer is primarily globular, it must have an axial ratio of about 1:5. It is more likely, however, that this asymmetry results in part from N-terminal arms that extend outward approximately within the major plane of the particle. If this is the case, less asymmetric models for the globular part of the tetramer, including a dislocated disk, can be made consistent with the scattering data. The H2a-H2b dimer, on the other hand, is an elongated structure. 48 references, 12 figures, 1 table.

Medium energy hadron scattering from nuclei

International Nuclear Information System (INIS)

Ginocchio, J.N.; Wenes, G.

1986-01-01

The Glauber approximation for medium energy scattering of hadronic projectiles from nuclei is combined with the interacting boson model of nuclei to produce a transition matrix for elastic and inelastic scattering in algebraic form which includes coupling to all the intermediate states. We present closed form analytic expresions for the transition matrix elements for the three dynamical symmetries of the interacting boson model; that is for, a spherical quadrupole vibrator, a γ unstable rotor, and both prolate and oblate axially symmetric rotors. We give examples of application of this formalism to proton scattering from 154 Sm and 154 Gd. 27 refs., 5 figs., 1 tab

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.

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

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

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

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

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.

Molecular simulation study to examine the possibility of detecting collective motion in protein by inelastic neutron scattering

International Nuclear Information System (INIS)

Yasumasa, Joti; Nobuhiro, Go; Akio, Kitao; Nobuhiro, Go

2003-01-01

Inelastic and quasielastic neutron scattering gives the information on the dynamics of biological macromolecules. The combination of computer simulation with neutron scattering experiments allows us to characterize a wide range of dynamical phenomena in condensed phase bio-molecular systems. In this work, the dynamic structure factors in (Q,ω)-space were calculated by using the results of bio-molecular simulations. From the simulated inelastic neutron scattering spectra, we discuss the (Q,ω)-range and the resolution of a detector needed to observe function-related protein dynamics. (authors)

Introduction to the theory of thermal neutron scattering

CERN Document Server

Squires, G L

2012-01-01

Since the advent of the nuclear reactor, thermal neutron scattering has proved a valuable tool for studying many properties of solids and liquids, and research workers are active in the field at reactor centres and universities throughout the world. This classic text provides the basic quantum theory of thermal neutron scattering and applies the concepts to scattering by crystals, liquids and magnetic systems. Other topics discussed are the relation of the scattering to correlation functions in the scattering system, the dynamical theory of scattering and polarisation analysis. No previous knowledge of the theory of thermal neutron scattering is assumed, but basic knowledge of quantum mechanics and solid state physics is required. The book is intended for experimenters rather than theoreticians, and the discussion is kept as informal as possible. A number of examples, with worked solutions, are included as an aid to the understanding of the text.

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.

The contribution of neutron scattering to molecular biology

International Nuclear Information System (INIS)

Stuhrmann, H.B.

1983-01-01

About half of the atoms of living cells are hydrogens, and nearly all biological applications of neutron scattering rely on the well-known difference in the scattering lengths of the proton and the deuteron. This introduces us to a wide variety of biological problems, which are related with hydrogen in water, proteins, nucleic acids and lipids. Neutron scattering gives an answer to both structural and dynamical aspects of the system in question. With deuterium labelled samples unambiguous information about molecular structure and motion becomes accessible. The architecture of viruses, cell membranes and gene expressing molecules has become a lot clearer with neutron scattering. (author)

Effect of static scatterers in laser speckle contrast imaging: an experimental study on correlation and contrast

Science.gov (United States)

Vaz, Pedro G.; Humeau-Heurtier, Anne; Figueiras, Edite; Correia, Carlos; Cardoso, João

2018-01-01

Laser speckle contrast imaging (LSCI) is a non-invasive microvascular blood flow assessment technique with good temporal and spatial resolution. Most LSCI systems, including commercial devices, can perform only qualitative blood flow evaluation, which is a major limitation of this technique. There are several factors that prevent the utilization of LSCI as a quantitative technique. Among these factors, we can highlight the effect of static scatterers. The goal of this work was to study the influence of differences in static and dynamic scatterer concentration on laser speckle correlation and contrast. In order to achieve this, a laser speckle prototype was developed and tested using an optical phantom with various concentrations of static and dynamic scatterers. It was found that the laser speckle correlation could be used to estimate the relative concentration of static/dynamic scatterers within a sample. Moreover, the speckle correlation proved to be independent of the dynamic scatterer velocity, which is a fundamental characteristic to be used in contrast correction.

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.

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...

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...

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.

The scattering matrix element of the three body reactive collision

International Nuclear Information System (INIS)

Morsy, M.W.; Hilal, A.A.; El-Sabagh, M.A.

1980-08-01

The optical model approximation has been applied to a previously derived set of coupled equations representing the dynamics of the three-body reactive scattering. The Schroedinger equation obtained describing the scattering problem has then been solved by inserting the effective mass approximation. The asymptotic requirements for both the entrance and exit channels, respectively, have been supplied to give the scattering matrix element of the reactive collision. (author)

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

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.

Elastic scattering and quasi-elastic transfers

International Nuclear Information System (INIS)

Mermaz, M.C.

1978-01-01

Experiments are presented which it will be possible to carry out at GANIL on the elastic scattering of heavy ions: diffraction phenomena if the absorption is great, refraction phenomena if absorption is low. The determination of the optical parameters can be performed. The study of the quasi-elastic transfer reactions will make it possible to know the dynamics of the nuclear reactions, form exotic nuclei and study their energy excitation spectrum, and analyse the scattering and reaction cross sections [fr

Neutron scattering from polarised proton domains

CERN Document Server

Van den Brandt, B; Kohbrecher, J; Konter, J A; Mango, S; Glattli, H; Leymarie, E; Grillo, I; May, R P; Jouve, H; Stuhrmann, H B; Stuhrmann, H B; Zimmer, O

2002-01-01

Time-dependent small-angle polarised neutron scattering from domains of polarised protons has been observed at the onset of dynamic nuclear polarisation in a frozen solution of 98% deuterated glycerol-water at 1 K containing a small concentration of paramagnetic centres (EHBA-Cr sup V). Simultaneous NMR measurements show that the observed scattering arises from protons around the Cr sup V -ions which are polarised to approx 10% in a few seconds, much faster than the protons in the bulk. (authors)

Scattering of low-energy pions by p-shell nuclei

International Nuclear Information System (INIS)

Khankhasaev, M.Kh.

1987-01-01

Low-energy pion-carbon scattering (up to 50 MeV) is analysed in the framework of the unitary approach based on the method of evolution in the coupling constant. It is shown that at pion energy ∼ 50 MeV the differential cross section arises as a result of the strong interference between the pure potential scattering and absorption channels. In this energy region the scattering data are very sensitive to the dynamics of the pion-nucleus interaction

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

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...

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

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

Light and neutron scattering study of strongly interacting ionic micelles

International Nuclear Information System (INIS)

Degiorgio, V.; Corti, M.; Piazza, R.

1989-01-01

Dilute solutions of ionic micelles formed by biological glycolipids (gangliosides) have been investigated at various ionic strengths by static and dynamic light scaterring and by small-angle neutron scattering. The size and shape of the micelle is not appreciably affected by the added salt concentration in the range 0-100 mM NaCL. From the measured intensity of scattered light we derive the electric charge Z of the micelle by fitting the data to a theoretical calculation which uses a screened Coulomb potential for the intermicellar interaction, and the hypernetted chain approximation for the calculation of the radial distribution function. The correlation function derived from dynamic light scattering shows the long time contribution typical of concentrated polydisperse systems (author). 15 refs.; 6 figs

Deep inelastic lepton-nucleus scattering from the light-cone quantum field theory

International Nuclear Information System (INIS)

Boqiang Ma; Ji Sun

1990-01-01

We show that for deep inelastic lepton-nucleus scattering, the conditions which validate the impulse approximation are hardly satisfied when using ordinary instant form dynamics in the rest frame of the nucleus, whereas they are well satisfied when using instant form dynamics in the infinite-momentum frame, or using light-front form dynamics in an ordinary frame. Therefore a reliable theoretical treatment of deep inelastic lepton-nucleus scattering should be performed in the time-ordered perturbation theory in the infinite-momentum frame, or its equivalent, the light-cone perturbation theory in an ordinary frame. To this end, we extend the light-cone quantum field theory to the baryon-meson field to establish a relativistic composite model of nuclei. We then apply the impulse approximation to deep inelastic lepton-nucleus scattering in this model.(author)

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

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)

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

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.

Neutron scattering from (CD3ND3)2MnCl4

International Nuclear Information System (INIS)

Lehner, N.

1978-12-01

For the perovskite-type crystal (CD 3 ND 3 ) 2 MnCl 4 neutron scattering experiments were performed concerning the magnetic behaviour, critical phenomena and lattice dynamics. The crystal is built up from layers, resulting in a quasi two-dimensional antiferromagnetic order, whereas the lattice dynamics shows a more three-dimensional behaviour; this can be explained by long-range Coulomb forces. Only the correlation lengths, which were determined by critical scattering, show a pronounced anisotropy. (orig.) [de

Pion-nucleus scattering in the isobar formalism

International Nuclear Information System (INIS)

Moniz, E.J.

1978-06-01

Lectures on the isobar-hole model for pion reactions include the isobar as an explicit degree of freedom and the connection with a purely pion and nucleon system, the formalism and its relation to the pion optical potential, the extended schematic model for pion scattering, a simple spinless s-wave model, application to pion-oxygen 16 scattering and comparison with elastic scattering data. In this way the extent is shown to which microscopic treatment of the many-body dynamics explains the data and the extent to which additional physical input is required. Another test is the various inelastic processes. Inclusive reactions are briefly discussed. 37 references

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.

Institutional Change, Strategic Orientation and Dynamic Capabilities

DEFF Research Database (Denmark)

Li, Ming Hua

2012-01-01

research streams including the resource-based view, institutional and organizational theory frameworks, as well as the dynamic capabilities perspective, we suggest that institutional change in China serves a formative role in the development of firm strategic orientation and dynamic capabilities leading......The phenomenon of systematic institutional change in many developing countries can produce enduring transformations in the strategic orientation and organization of domestic firms. Such changes may impact the formation of their dynamic capabilities and adaptive learning which can translate...... into visible differences in their internationalization strategies and pathways. Using China as an illustrative example of a transitioning economy experiencing upsurges in outward FDI, this study develops a theoretical framework to explain how institutional transformation at various levels of government led...

A neutron scattering study of DCN

International Nuclear Information System (INIS)

Mackenzie, G.A.; Pawley, G.S.

1979-01-01

Phonons in deuterium cyanide have been measured by neutron coherent inelastic scattering. The main subject of study was the transverse acoustic mode in the (110) direction polarised along (110) which is associated with the first-order structural phase transition at 160 K. Measurements have shown that the frequency decreases by about 25% between about 225 and 160 K as the transition temperature is approached. The other acoustic modes observable in the a*b* scattering plane have been measured and show no anomalous temperature dependence. Optic modes were unobservable because of the small size of the single-crystal sample which gave insufficient scattered intensity. Apart from the 'soft' mode, the measured frequencies are in good agreement with lattice dynamics calculations. (author)

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)

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

Scattering of traveling spots in dissipative systems

Science.gov (United States)

Nishiura, Yasumasa; Teramoto, Takashi; Ueda, Kei-Ichi

2005-12-01

One of the fundamental questions for self-organization in pattern formation is how spatial periodic structure is spontaneously formed starting from a localized fluctuation. It is known in dissipative systems that splitting dynamics is one of the driving forces to create many particle-like patterns from a single seed. On the way to final state there occur many collisions among them and its scattering manner is crucial to predict whether periodic structure is realized or not. We focus on the colliding dynamics of traveling spots arising in a three-component system and study how the transition of scattering dynamics is brought about. It has been clarified that hidden unstable patterns called "scattors" and their stable and unstable manifolds direct the traffic flow of orbits before and after collisions. The collision process in general can be decomposed into several steps and each step is controlled by such a scattor, in other words, a network among scattors forms the backbone for scattering dynamics. A variety of input-output relations comes from the complexity of the network as well as high Morse indices of the scattor. The change of transition manners is caused by the switching of the network from one structure to another, and such a change is caused by the singularities of scattors. We illustrate a typical example of the change of transition caused by the destabilization of the scattor. A new instability of the scattor brings a new destination for the orbit resulting in a new input-output relation, for instance, Hopf instability for the scattor of peanut type brings an annihilation.

Variational methods in electron-atom scattering theory

CERN Document Server

Nesbet, Robert K

1980-01-01

The investigation of scattering phenomena is a major theme of modern physics. A scattered particle provides a dynamical probe of the target system. The practical problem of interest here is the scattering of a low­ energy electron by an N-electron atom. It has been difficult in this area of study to achieve theoretical results that are even qualitatively correct, yet quantitative accuracy is often needed as an adjunct to experiment. The present book describes a quantitative theoretical method, or class of methods, that has been applied effectively to this problem. Quantum mechanical theory relevant to the scattering of an electron by an N-electron atom, which may gain or lose energy in the process, is summarized in Chapter 1. The variational theory itself is presented in Chapter 2, both as currently used and in forms that may facilitate future applications. The theory of multichannel resonance and threshold effects, which provide a rich structure to observed electron-atom scattering data, is presented in Cha...

Photon scattering by the giant dipole resonance

International Nuclear Information System (INIS)

Bowles, T.J.; Holt, R.J.; Jackson, H.E.; McKeown, R.D.; Specht, J.R.

1979-01-01

Although many features of the giant dipole resonance are well known, the coupling between the basic dipole oscillation and other nuclear collective degrees of freedom such as surface vibrations and rotations is poorly understood. This aspect was investigated by elastic and inelastic bremsstrahlung scattering of tagged photons over the energy range 15 to 22 MeV. Target nuclei were 60 Ni, 52 Cr, 56 Fe, 92 Mo, and 96 Mo. Scattering and absorption cross sections are tabulated, along with parameters obtained from a two-Lorentzian analysis of the scattering cross sections; measured spectra are shown. It was necessary to remove Thomson scattering from the experimental results. It was found that coupling to surface vibrations in the giant dipole resonance is much weaker than the dynamic collective model suggests. The elastic scattering cross section for all targets but 60 Ni showed structure that is not evident in the absorption cross section measurement. 12 figures, 2 tables

Analysis and characterization. Nuclear resonant scattering with the synchrotron radiation

International Nuclear Information System (INIS)

Ruffer, R.; Teillet, J.

2003-01-01

The nuclear resonant scattering using the synchrotron radiation combines the uncommon properties of the Moessbauer spectroscopy and those of the synchrotron radiation. Since its first observation in 1984, this technique and its applications have been developed rapidly. The nuclear resonant scattering is now a standard technique for all the synchrotron radiation sources of the third generation. As the Moessbauer spectroscopy, it is a method of analysis at the atomic scale and a non destructive method. It presents the advantage not to require the use of radioactive sources of incident photons which can be difficult to make, of a lifetime which can be short and of an obviously limited intensity. The current applications are the hyperfine spectroscopy and the structural dynamics. In hyperfine spectroscopy, the nuclear resonant scattering can measure the same size than the Moessbauer spectroscopy. Nevertheless, it is superior in the ranges which exploit the specific properties of the synchrotron radiation, such as the very small samples, the monocrystals, the measures under high pressures, the geometry of small angle incidence for surfaces and multilayers. The structural dynamics, in a time scale of the nanosecond to the microsecond can be measured in the temporal scale. Moreover, the nuclear inelastic scattering gives for the first time a tool which allows to have directly the density of states of phonons and then allow to deduce the dynamical and thermodynamical properties of the lattice. The nuclear resonant scattering technique presented here, which corresponds to the Moessbauer spectroscopy technique (SM), is called 'nuclear forward scattering' (NFS). Current applications in physics and chemistry are develop. The NFS is compared to the usual SM technique in order to reveal its advantages and disadvantages. (O.M.)

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

Direct observation of forward-scattering oscillations in the H+HD→H2+D reaction

Science.gov (United States)

Yuan, Daofu; Yu, Shengrui; Chen, Wentao; Sang, Jiwei; Luo, Chang; Wang, Tao; Xu, Xin; Casavecchia, Piergiorgio; Wang, Xingan; Sun, Zhigang; Zhang, Dong H.; Yang, Xueming

2018-06-01

Accurate measurements of product state-resolved angular distributions are central to fundamental studies of chemical reaction dynamics. Yet, fine quantum-mechanical structures in product angular distributions of a reactive scattering process, such as the fast oscillations in the forward-scattering direction, have never been observed experimentally and the nature of these oscillations has not been fully explored. Here we report the crossed-molecular-beam experimental observation of these fast forward-scattering oscillations in the product angular distribution of the benchmark chemical reaction, H + HD → H2 + D. Clear oscillatory structures are observed for the H2(v' = 0, j' = 1, 3) product states at a collision energy of 1.35 eV, in excellent agreement with the quantum-mechanical dynamics calculations. Our analysis reveals that the oscillatory forward-scattering components are mainly contributed by the total angular momentum J around 28. The partial waves and impact parameters responsible for the forward scatterings are also determined from these observed oscillations, providing crucial dynamics information on the transient reaction process.

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

Abnormal scattering of polymer in binary solvent

Science.gov (United States)

To, Kiwing; Kim, Chul A.; Choi, Hyoung J.

The behavior of a high molecular weight polymer (polyethylene-oxide, PEO) in a binary liquid mixture (nitroethane/3-methyl-pentane, NE/MP) is studied at the one-phase temperature of NE/MP by static and dynamic light scattering methods. We found that the scattering intensity increased abruptly near the critical composition of NE/MP although the sample was very far from the critical temperature of NE/MP. Explanations in terms of critical opalescence and wetting layer inversion are discussed.

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.

Nd:YAG Laser-Based Dual-Line Detection Rayleigh Scattering and Current Efforts on UV, Filtered Rayleigh Scattering

Science.gov (United States)

Otugen, M. Volkan; Popovic, Svetozar

1996-01-01

Ongoing research in Rayleigh scattering diagnostics for variable density low speed flow applications and for supersonic flow measurements are described. During the past several years, the focus has been on the development and use of a Nd:YAG-based Rayleigh scattering system with improved signal-to-noise characteristics and with applicability to complex, confined flows. This activity serves other research projects in the Aerodynamics Laboratory which require the non-contact, accurate, time-frozen measurement of gas density, pressure, and temperature (each separately), in a fairly wide dynamic range of each parameter. Recently, with the acquisition of a new seed-injected Nd:YAG laser, effort also has been directed to the development of a high-speed velocity probe based on a spectrally resolved Rayleigh scattering technique.

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....

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.

Scattering by ensembles of small particles

International Nuclear Information System (INIS)

Gustafson, B. Aa. S.

1980-11-01

With the advent of high altitude rockets and of space probes, evidence has accumulated that several particle types coexiste in the interplanetary medium. It also became apparent that the zodiacal light is not produced by particles with previously known scattering characteristics. However, the scattering is here shown to be consistent with the hypothesis that presolar interstellar grains accumulate into comets which through fragmentation provide a major component of the interplanetary dust complex. Cometary debris - zodiscal light particles - are therefore modeled as conglomerates of elongated core-mantle particles. Light scattering characteristics of the conglomerates are investigated using a micro-wave analogue method. Approximate theoretical methods for prediction and interpretation of the electro-magnetic scattering patterns are developed and are found to compare favorably with the experimental results and with observations of the zodiacal light. The model is also found to be consistent with comet- and impactdata. Dynamical considerations predicts a small particle component rapidly receding from the Sun, an identification with the B-meteoroids is tentatively suggested. (author)

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.

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.

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

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.

Visualizing quantum scattering on the CM-2 supercomputer

International Nuclear Information System (INIS)

Richardson, J.L.

1991-01-01

We implement parallel algorithms for solving the time-dependent Schroedinger equation on the CM-2 supercomputer. These methods are unconditionally stable as well as unitary at each time step and have the advantage of being spatially local and explicit. We show how to visualize the dynamics of quantum scattering using techniques for visualizing complex wave functions. Several scattering problems are solved to demonstrate the use of these methods. (orig.)

Inelastic scattering from amorphous solids

International Nuclear Information System (INIS)

Price, D.L.

1985-08-01

The potential of inelastic neutron scattering techniques for surveying various aspects of the dynamics of amorphous solids is briefly reviewed. The recent use of the Intense Pulsed Neutron Source to provide detailed information on the optical vibrations of glasses is discussed in more detail. The density of states represents an averaged quantity which gives information about the general characteristics of the structure and bonding. More extensive information can be obtained by studying the detailed wavevector dependence of the dynamic structure factor. 15 refs., 7 figs

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.

Neutron scattering investigations of frustated magnets

Science.gov (United States)

Fennell, Tom

This thesis describes the experimental investigation of frustrated magnetic systems based on the pyrochlore lattice of corner-sharing tetrahedra. Ho2Ti207 and Dy2Ti207 are examples of spin ices, in which the manifold of disordered magnetic groundstates maps onto that of the proton positions in ice. Using single crystal neutron scattering to measure Bragg and diffuse scattering, the effect of applying magnetic fields along different directions in the crystal was investigated. Different schemes of degeneracy removal were observed for different directions. Long and short range order, and the coexistence of both could be observed by this technique.The field and temperature dependence of magnetic ordering was studied in Ho2Ti207 and Dy2Ti207. Ho2Ti2()7 has been more extensively investigated. The field was applied on [00l], [hh0], [hhh] and [hh2h]. Dy2Ti207 was studied with the field applied on [00l] and [hho] but more detailed information about the evolution of the scattering pattern across a large area of reciprocal space was obtained.With the field applied on [00l] both materials showed complete degeneracy removal. A long range ordered structure was formed. Any magnetic diffuse scattering vanished and was entirely replaced by strong magnetic Bragg scattering. At T =0.05 K both materials show unusual magnetization curves, with a prominent step and hysteresis. This was attributed to the extremely slow dynamics of spin ice materials at this temperature.Both materials were studied in greatest detail with the field applied on [hh0]. The coexistence of long and short range order was observed when the field was raised at T = 0.05 K. The application of a field in this direction separated the spin system into two populations. One could be ordered by the field, and one remained disordered. However, via spin-spin interactions, the field restricted the degeneracy of the disordered spin population. The neutron scattering pattern of Dy2Ti207 shows that the spin system was separated

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.

Theory of Graphene Raman Scattering.

Science.gov (United States)

Heller, Eric J; Yang, Yuan; Kocia, Lucas; Chen, Wei; Fang, Shiang; Borunda, Mario; Kaxiras, Efthimios

2016-02-23

Raman scattering plays a key role in unraveling the quantum dynamics of graphene, perhaps the most promising material of recent times. It is crucial to correctly interpret the meaning of the spectra. It is therefore very surprising that the widely accepted understanding of Raman scattering, i.e., Kramers-Heisenberg-Dirac theory, has never been applied to graphene. Doing so here, a remarkable mechanism we term"transition sliding" is uncovered, explaining the uncommon brightness of overtones in graphene. Graphene's dispersive and fixed Raman bands, missing bands, defect density and laser frequency dependence of band intensities, widths of overtone bands, Stokes, anti-Stokes anomalies, and other known properties emerge simply and directly.

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%.

High energy scattering in gravity and supergravity

DEFF Research Database (Denmark)

B. Giddings, Steven; Schmidt-Sommerfeld, Maximilian; Andersen, Jeppe Rosenkrantz

2010-01-01

We investigate features of perturbative gravity and supergravity by studying scattering in the ultraplanckian limit, and sharpen arguments that the dynamics is governed by long-distance physics. A simple example capturing aspects of the eikonal resummation suggests why short distance phenomena...... and in particular divergences or nonrenormalizability do not necessarily play a central role in this regime. A more profound problem is apparently unitarity. These considerations can be illustrated by showing that known gravity and supergravity amplitudes have the same long-distance behavior, despite the extra...... a physical scattering process, and ultraplanckian scattering exhibiting Regge behavior. These arguments sharpen the need to find a nonperturbative completion of gravity with mechanisms which restore unitarity in the strong gravity regime....

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.

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.

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.

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.

Laser light scatter experiments on plasma focus plant

International Nuclear Information System (INIS)

Wenzel, N.

1985-01-01

The plasma focus plant is an experiment on nuclear fusion, which is distinguished by a high neutron yield. Constituting an important method of diagnosis in plasma focussing, the laser light scatter method makes it possible, apart from finding the electron temperature and density, to determine the ion temperature resolved according to time and place and further, to study the occurrence of micro-turbulent effects. Starting from the theoretical basis, this dissertation describes light scatter measurements with ruby lasers on the POSEIDON plasma focus. They are given, together with earlier measurements on the Frascati 1 MJ plant and the Heidelberg 12 KJ plant. The development of the plasma parameters and the occurrence of superthermal light scatter events are discussed in connection with the dynamics of the plasma and the neutron emission characteristics of the individual plants. The results support the view that the thermo-nuclear neutron production at the plasma focus is negligible. Although the importance of micro-turbulent mechanisms in producing neutrons cannot be finally judged, important guidelines are given for the spatial and time relationships with plasma dynamics, plasma parameters and neutron emission. The work concludes with a comparison of all light scatter measurements at the plasma focus described in the literature. (orig.) [de

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

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.

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.

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)

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

Thomson scattering upgrade on Tore Supra

Energy Technology Data Exchange (ETDEWEB)

Leroux, F., E-mail: fabrice.leroux@cea.f [CEA, IRFM, F-13108 Saint-Paul-lez-Durance (France); Manenc, L.; Moreau, M. [CEA, IRFM, F-13108 Saint-Paul-lez-Durance (France)

2010-07-15

The Thomson scattering diagnostic supplies the electron temperature and density of Tore Supra plasmas from the spectrum analysis of scattered light of a very short laser pulse. A new spectrometer has been realized to improve the signal to noise ratio. In order to obtain an efficient noise reduction, a real time calculation is necessary. The current analogue integration of the signal is inadequate. A fast digitalization must be used with a sampling rate of 1 GSamples/s, a bandwidth of 150 MHz and a 12 bits dynamic range. In a first step, fast analogue data acquisition boards for 4 channels were added in 2009 to the VME acquisition system in place. A MATACQ (Matrix for acquisition) board was chosen for sampling analogue data up to 2 GSamples/s over 4 channels with a large bandwidth of 300 MHz and a 14 bits dynamic range. This solution offers a low cost acquisition system that is not available in any other commercial board with this dynamic range. The first results will be obtained on calibration period with a light emitted diode before the summer 2009. This article will present the new data acquisition system and the coming first results.

Edge-core interaction of ITG turbulence in Tokamaks: Is the Tail Wagging the Dog?

Science.gov (United States)

Ku, S.; Chang, C. S.; Dif-Pradalier, G.; Diamond, P. H.

2010-11-01

A full-f XGC1 gyrokinetic simulation of ITG turbulence, together with the neoclassical dynamics without scale separation, has been performed for the whole-volume plasma in realistic diverted DIII-D geometry. The simulation revealed that the global structure of the turbulence and transport in tokamak plasmas results from a synergy between edge-driven inward propagation of turbulence intensity and the core-driven outward heat transport. The global ion confinement and the ion temperature gradient then self-organize quickly at turbulence propagation time scale. This synergy results in inward-outward pulse scattering leading to spontaneous production of strong internal shear layers in which the turbulent transport is almost suppressed over several radial correlation lengths. Co-existence of the edge turbulence source and the strong internal shear layer leads to radially increasing turbulence intensity and ion thermal transport profiles.

Effects of terraces, surface steps and 'over-specular' reflection due to inelastic energy losses on angular scattering spectra for glancing incidence scattering

CERN Document Server

Danailov, D; O'Connor, D J

2002-01-01

Recent experiments and our molecular-dynamics simulations indicate that the main signal of the angular scattering spectra of glancing incidence scattering are not affected by the thermal motion of surface atoms and can be explained by our row-model with averaged cylindrical potentials. At the ICACS-18 Conference [Nucl. Instr. and Meth. B 164-165 (2000) 583] we reported good agreement between experimental and calculated multimodal azimuthal angular scattering spectra for the glancing scattering of 10 and 15 keV [Nucl. Instr. and Meth. B 180 (2001) 265, Appl. Surf. Sci. 171 (2001) 113] He sup 0 beam along the [1 0 0] direction on the Fe(1 0 0) face. Our simulations also predicted that in contrast to the 2D angular scattering distribution, the 1D azimuthal angular distribution of scattered particles is very sensitive to the interaction potential used. Here, we report more detailed calculations incorporating the influence of terraces and surface steps on surface channeling, which show a reduction of the angular s...

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

Nonlinear Scattering of VLF Waves in the Radiation Belts

Science.gov (United States)

Crabtree, Chris; Rudakov, Leonid; Ganguli, Guru; Mithaiwala, Manish

2014-10-01

Electromagnetic VLF waves, such as whistler mode waves, control the lifetime of trapped electrons in the radiation belts by pitch-angle scattering. Since the pitch-angle scattering rate is a strong function of the wave properties, a solid understanding of VLF wave sources and propagation in the magnetosphere is critical to accurately calculate electron lifetimes. Nonlinear scattering (Nonlinear Landau Damping) is a mechanism that can strongly alter VLF wave propagation [Ganguli et al. 2010], primarily by altering the direction of propagation, and has not been accounted for in previous models of radiation belt dynamics. Laboratory results have confirmed the dramatic change in propagation direction when the pump wave has sufficient amplitude to exceed the nonlinear threshold [Tejero et al. 2014]. Recent results show that the threshold for nonlinear scattering can often be met by naturally occurring VLF waves in the magnetosphere, with wave magnetic fields of the order of 50-100 pT inside the plasmapause. Nonlinear scattering can then dramatically alter the macroscopic dynamics of waves in the radiation belts leading to the formation of a long-lasting wave-cavity [Crabtree et al. 2012] and, when amplification is present, a multi-pass amplifier [Ganguli et al. 2012]. By considering these effects, the lifetimes of electrons can be dramatically reduced. This work is supported by the Naval Research Laboratory base program.

Magnetic inelastic scattering: Present results and future trends

Energy Technology Data Exchange (ETDEWEB)

Osborn, R.

1996-04-01

Experience over the last 15 years has shsown that pulsed neutron spectrometers are able to contribute to the field of magnetic inelastic scattering. Such spectrometers have high resolution and wide dynamic range, both of which are necessary in order to characterize the magnetic response of the complex systems of current interest, ranging from rare earth-transition metal permanent magnets to quantum critical scatterers. Howevera, all these studies have been constrained by current flux limitations. The development of more powerful spallation neutron sources, such as the JHP, is likely to transform these interesting demonstrations of the potential of pulsed neutron scattering into routine tools for the study of magnetic correlations.

Laser scattering in a hanging drop vapor diffusion apparatus for protein crystal growth in a microgravity environment

Science.gov (United States)

Casay, G. A.; Wilson, W. W.

1992-01-01

One type of hardware used to grow protein crystals in the microgravity environment aboard the U.S. Space Shuttle is a hanging drop vapor diffusion apparatus (HDVDA). In order to optimize crystal growth conditions, dynamic control of the HDVDA is desirable. A critical component in the dynamically controlled system is a detector for protein nucleation. We have constructed a laser scattering detector for the HDVDA capable of detecting the nucleation stage. The detector was successfully tested for several scatterers differing in size using dynamic light scattering techniques. In addition, the ability to detect protein nucleation using the HDVDA was demonstrated for lysozyme.

KN scattering in the nonrelativistic quark model

International Nuclear Information System (INIS)

Barnes, F.E.

1995-01-01

KN scattering is of interest as a probe of nuclear structure and, more fundamentally, as a laboratory for the study of nonresonant hadron-hadron interactions. KN is a I theoretically attractive channel because of its simplicity, having only S = 1/2, no one pion exchange contributions and no valence q anti q annihilation. It may therefore be useful for the study of short-ranged quark forces analogous to the NN repulsive core. Since there are two isospin states, comparison of two closely related amplitudes is possible. This contribution reviews the experimental status of S-wave KN scattering and related theoretical studies based on quark-gluon dynamics. The experimental low-energy S-wave phase shift is well established for I = 1, but is not yet well determined for I = 0. The ratio of I = 0 to I = 1 scattering lengths is an interesting number theoretically, and may discriminate between different scattering mechanisms. A measurement of these scattering lengths at DAPHNE would be a useful contribution to low energy hadron physics

Delayed coherent quantum feedback from a scattering theory and a matrix product state perspective

Science.gov (United States)

Guimond, P.-O.; Pletyukhov, M.; Pichler, H.; Zoller, P.

2017-12-01

We study the scattering of photons propagating in a semi-infinite waveguide terminated by a mirror and interacting with a quantum emitter. This paradigm constitutes an example of coherent quantum feedback, where light emitted towards the mirror gets redirected back to the emitter. We derive an analytical solution for the scattering of two-photon states, which is based on an exact resummation of the perturbative expansion of the scattering matrix, in a regime where the time delay of the coherent feedback is comparable to the timescale of the quantum emitter’s dynamics. We compare the results with numerical simulations based on matrix product state techniques simulating the full dynamics of the system, and extend the study to the scattering of coherent states beyond the low-power limit.

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)

Neutron scattering and HPLC study on L-ascorbic acid and its degradation

International Nuclear Information System (INIS)

Bellocco, E.; Barreca, D.; Lagana, G.; Leuzzi, U.; Migliardo, F.; Torre, R. La; Galli, G.; Galtieri, A.; Minutoli, L.; Squadrito, F.

2008-01-01

The present paper shows a systematic dynamic and kinetic study on L-ascorbic acid and its degradation at high temperature. The neutron scattering study allows, through the behavior of quasi-elastic neutron scattering (QENS) spectra, to characterize the diffusive dynamics of L-ascorbic acid in water mixtures. Ascorbic acid undergoes degradation process at high temperature, but the presence of trehalose in solution markedly avoids ascorbic acid loss enhancing its t 1/2 (half life time), as determined by high performance liquid chromatography (HPLC)

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

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

Molecular Dynamics Simulations of the Human Glucose Transporter GLUT1.

Directory of Open Access Journals (Sweden)

Min-Sun Park

Full Text Available Glucose transporters (GLUTs provide a pathway for glucose transport across membranes. Human GLUTs are implicated in devastating diseases such as heart disease, hyper- and hypo-glycemia, type 2 diabetes and cancer. The human GLUT1 has been recently crystalized in the inward-facing open conformation. However, there is no other structural information for other conformations. The X-ray structures of E. coli Xylose permease (XylE, a glucose transporter homolog, are available in multiple conformations with and without the substrates D-xylose and D-glucose. XylE has high sequence homology to human GLUT1 and key residues in the sugar-binding pocket are conserved. Here we construct a homology model for human GLUT1 based on the available XylE crystal structure in the partially occluded outward-facing conformation. A long unbiased all atom molecular dynamics simulation starting from the model can capture a new fully opened outward-facing conformation. Our investigation of molecular interactions at the interface between the transmembrane (TM domains and the intracellular helices (ICH domain in the outward- and inward-facing conformation supports that the ICH domain likely stabilizes the outward-facing conformation in GLUT1. Furthermore, inducing a conformational transition, our simulations manifest a global asymmetric rocker switch motion and detailed molecular interactions between the substrate and residues through the water-filled selective pore along a pathway from the extracellular to the intracellular side. The results presented here are consistent with previously published biochemical, mutagenesis and functional studies. Together, this study shed light on the structure and functional relationships of GLUT1 in multiple conformational states.

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)

Dynamic Soil-Structure-Interaction

DEFF Research Database (Denmark)

Kellezi, Lindita

1998-01-01

The aim of this thesis is to investigate and develop alternative methods of analyzing problems in dynamic soil-structure-interaction. The main focus is the major difficulty posed by such an analysis - the phenomenon of waves which radiate outward from the excited structures towards infinity....... In numerical calculations, only a finite region of the foundation metium is analyzed and something is done to prevent the outgoing radiating waves to reflect from the regions's boundary. The prosent work concerns itself with the study of such effects, using the finite element method, and artificial...... transmitting boundary at the edges of the computational mesh. To start with, an investigation of the main effects of the interaction phenomena is carried out employing a widely used model, considering dynamic stiffness of the unbounded soil as frequency independent. Then a complete description...

Compton scattering collision module for OSIRIS

Science.gov (United States)

Del Gaudio, Fabrizio; Grismayer, Thomas; Fonseca, Ricardo; Silva, Luís

2017-10-01

Compton scattering plays a fundamental role in a variety of different astrophysical environments, such as at the gaps of pulsars and the stagnation surface of black holes. In these scenarios, Compton scattering is coupled with self-consistent mechanisms such as pair cascades. We present the implementation of a novel module, embedded in the self-consistent framework of the PIC code OSIRIS 4.0, capable of simulating Compton scattering from first principles and that is fully integrated with the self-consistent plasma dynamics. The algorithm accounts for the stochastic nature of Compton scattering reproducing without approximations the exchange of energy between photons and unbound charged species. We present benchmarks of the code against the analytical results of Blumenthal et al. and the numerical solution of the linear Kompaneets equation and good agreement is found between the simulations and the theoretical models. This work is supported by the European Research Council Grant (ERC- 2015-AdG 695088) and the Fundao para a Céncia e Tecnologia (Bolsa de Investigao PD/BD/114323/2016).

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...

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...

Quasiparticles in Raman scattering of an electromagnetic wave by an atomic condensate

International Nuclear Information System (INIS)

Il’ichev, L. V.

2011-01-01

Raman scattering of an intense electromagnetic wave by a free atomic Bose condensate is considered. In a system of atoms and photons, a subsystem is separated whose dynamics can be naturally described in terms of quasiparticles: quasi-atoms and quasi-photons. The dispersion laws of quasiparticles are interrupted by the instability interval. The introduction of quasiparticles within this interval is impossible, while dispersion laws that are continued formally acquire imaginary components. The dynamic scattering model is generalized by including dissipative annihilation processes of scattered photons and uncondensed atoms. A stationary solution of the corresponding quantum control equation is found, allowing the calculation of momentum distributions of real particles and quasiparticles. The outlook for the experimental detection of quasiparticles is discussed.

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...

Neutron scattering and HPLC study on L-ascorbic acid and its degradation

Energy Technology Data Exchange (ETDEWEB)

Bellocco, E. [Department of Organic and Biological Chemistry, University of Messina, Messina (Italy)], E-mail: bellocco@isengard.unime.it; Barreca, D.; Lagana, G.; Leuzzi, U. [Department of Organic and Biological Chemistry, University of Messina, Messina (Italy); Migliardo, F.; Torre, R. La; Galli, G. [Department of Physics, University of Messina, Messina (Italy); Galtieri, A. [Department of Organic and Biological Chemistry, University of Messina, Messina (Italy); Minutoli, L.; Squadrito, F. [Department of Clinical and Experimental Medicine and Pharmacology, University of Messina, Messina (Italy)

2008-04-18

The present paper shows a systematic dynamic and kinetic study on L-ascorbic acid and its degradation at high temperature. The neutron scattering study allows, through the behavior of quasi-elastic neutron scattering (QENS) spectra, to characterize the diffusive dynamics of L-ascorbic acid in water mixtures. Ascorbic acid undergoes degradation process at high temperature, but the presence of trehalose in solution markedly avoids ascorbic acid loss enhancing its t{sub 1/2} (half life time), as determined by high performance liquid chromatography (HPLC)

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)

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.

Survival of extrasolar giant planet moons in planet-planet scattering

Science.gov (United States)

CIAN HONG, YU; Lunine, Jonathan; Nicholson, Phillip; Raymond, Sean

2015-12-01

Planet-planet scattering is the best candidate mechanism for explaining the eccentricity distribution of exoplanets. Here we study the survival and dynamics of exomoons under strong perturbations during giant planet scattering. During close encounters, planets and moons exchange orbital angular momentum and energy. The most common outcomes are the destruction of moons by ejection from the system, collision with the planets and the star, and scattering of moons onto perturbed but still planet-bound orbits. A small percentage of interesting moons can remain bound to ejected (free-floating) planets or be captured by a different planet. Moons' survival rate is correlated with planet observables such as mass, semi-major axis, eccentricity and inclination, as well as the close encounter distance and the number of close encounters. In addition, moons' survival rate and dynamical outcomes are predetermined by the moons' initial semi-major axes. The survival rate drops quickly as moons' distances increase, but simulations predict a good chance of survival for the Galilean moons. Moons with different dynamical outcomes occupy different regions of orbital parameter space, which may enable the study of moons' past evolution. Potential effects of planet obliquity evolution caused by close encounters on the satellites’ stability and dynamics will be reported, as well as detailed and systematic studies of individual close encounter events.

Fragility of complexity biophysical systems by neutron scattering

Energy Technology Data Exchange (ETDEWEB)

Magazu, Salvatore [Dipartimento di Fisica, Universita di Messina, P.O. Box 55, I-98166 Messina (Italy)]. E-mail: smagazu@unime.it; Migliardo, Federica [Dipartimento di Fisica, Universita di Messina, P.O. Box 55, I-98166 Messina (Italy); Bellocco, Ersilia [Dipartimento di Chimica Organica e Biologica, Universita di Messina, I-98166 Messina (Italy); Lagana, Giuseppina [Dipartimento di Chimica Organica e Biologica, Universita di Messina, I-98166 Messina (Italy); Mondelli, Claudia [CNR-INFM OGG and CRS-SOFT, c/o ILL, 6 Jules Horowitz, BP 156, 38042 Grenoble Cedex 9 (France)

2006-11-15

Neutron scattering is an exceptional tool to investigate structural and dynamical properties of systems of biophysical interest, such as proteins, enzymes, lipids and sugars. Moreover, elastic neutron scattering enhances the investigation of atomic motions in hydrated proteins in a wide temperature range and on the picosecond timescale. Homologous disaccharides, such as trehalose, maltose and sucrose, are cryptobiotic substances, since they allow to many organisms to undergo in a 'suspended life' state, known as cryptobiosis in extreme environmental conditions. The present paper is aimed to discuss the fragility degree of disaccharides, as evaluated of the temperature dependence of the mean square displacement by elastic neutron scattering, in order to link this feature with their bioprotective functions.

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.

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)

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.

Gated integrator PXI-DAQ system for Thomson scattering diagnostics

Energy Technology Data Exchange (ETDEWEB)

Patel, Kiran, E-mail: kkpatel@ipr.res.in; Pillai, Vishal; Singh, Neha; Thomas, Jinto; Kumar, Ajai

2017-06-15

Gated Integrator (GI) PXI based data acquisition (DAQ) system has been designed and developed for the ease of acquiring fast Thomson Scattered signals (∼50 ns pulse width). The DAQ system consists of in-house designed and developed GI modules and PXI-1405 chassis with several PXI-DAQ modules. The performance of the developed system has been validated during the SST-1 campaigns. The dynamic range of the GI module depends on the integrating capacitor (C{sub i}) and the modules have been calibrated using 12 pF and 27 pF integrating capacitors. The developed GI module based data acquisition system consists of sixty four channels for simultaneous sampling using eight PXI based digitization modules having eight channels per module. The error estimation and functional tests of this unit are carried out using standard source and also with the fast detectors used for Thomson scattering diagnostics. User friendly Graphical User Interface (GUI) has been developed using LabVIEW on Windows platform to control and acquire the Thomson scattering signal. A robust, easy to operate and maintain with low power consumption, having higher dynamic range with very good sensitivity and cost effective DAQ system is developed and tested for the SST-1 Thomson scattering diagnostics.

High energy scattering in gravity and supergravity

CERN Document Server

Giddings, Steven B; Andersen, Jeppe R

2010-01-01

We investigate features of perturbative gravity and supergravity by studying scattering in the ultraplanckian limit, and sharpen arguments that the dynamics is governed by long-distance physics. A simple example capturing aspects of the eikonal resummation suggests why short distance phenomena and in particular divergences or nonrenormalizability do not necessarily play a central role in this regime. A more profound problem is apparently unitarity. These considerations can be illustrated by showing that known gravity and supergravity amplitudes have the same long-distance behavior, despite the extra light states of supergravity, and this serves as an important check on long-range dynamics in a context where perturbative amplitudes are finite. We also argue that these considerations have other important implications: they obstruct probing the conjectured phenomenon of asymptotic safety through a physical scattering process, and gravity appears not to reggeize. These arguments sharpen the need to find a nonpert...

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.

Trampoline motions in Xe-graphite(0 0 0 1) surface scattering

Science.gov (United States)

Watanabe, Yoshimasa; Yamaguchi, Hiroki; Hashinokuchi, Michihiro; Sawabe, Kyoichi; Maruyama, Shigeo; Matsumoto, Yoichiro; Shobatake, Kosuke

2005-09-01

We have investigated Xe scattering from the graphite(0 0 0 1) surface at hyperthermal incident energies using a molecular beam-surface scattering technique and molecular dynamics simulations. For all incident conditions, the incident Xe atom conserves the momentum parallel to the surface and loses approximately 80% of the normal incident energy. The weak interlayer potential of graphite disperses the deformation over the wide range of a graphene sheet. The dynamic corrugation induced by the collision is smooth even at hyperthermal incident energy; the graphene sheet moves like a trampoline net and the Xe atom like a trampoliner.

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.

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

Interesting results from neutron-scattering

International Nuclear Information System (INIS)

Woods, A.D.B.

Neutron scattering has been a useful tool in the determination of the lattice dynamics of metals, studies of the physics of magnetism in rare-earth systems, observing changes in the structure of DNA bases after ultraviolet irradiation, looking at plastic crystals, following structural phase changes in ferroelectric materials, and studying liquid He. Both low- and high-flux facilities are useful. (LL)

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

Energy evolution of the large-t elastic scattering and its correlation with multiparticle production

International Nuclear Information System (INIS)

Troshin, S. M.

2013-01-01

It is emphasized that the collective dynamics associated with color confinement is dominating over a point-like mechanism related to a scattering of the proton constituents at the currently available values of the momentum transferred in proton elastic scattering at the LHC. Deep-elastic scattering and its role in the dissimilation of the absorptive and reflective asymptotic scattering mechanisms are discussed with emphasis on the experimental signatures associated with the multiparticle production processes.

Energy evolution of the large-t elastic scattering and its correlation with multiparticle production

Energy Technology Data Exchange (ETDEWEB)

Troshin, S. M. [Institute for High Energy Physics, Protvino, Moscow Region, 142281 (Russian Federation)

2013-04-15

It is emphasized that the collective dynamics associated with color confinement is dominating over a point-like mechanism related to a scattering of the proton constituents at the currently available values of the momentum transferred in proton elastic scattering at the LHC. Deep-elastic scattering and its role in the dissimilation of the absorptive and reflective asymptotic scattering mechanisms are discussed with emphasis on the experimental signatures associated with the multiparticle production processes.

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.

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

Critical scattering of neutrons from terbium

DEFF Research Database (Denmark)

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

1968-01-01

The inelasticity of the critical scattering of neutrons in terbium has been measured above the Neél temperature at the (0, 0, 2−Q) satellite position. The results show that dynamic slowing down of the fluctuations does occur in a second‐order phase transition in agreement with the general theory...

Some applications of polarized inelastic neutron scattering

Indian Academy of Sciences (India)

A brief account of applications of polarized inelastic neutron scattering in condensed matter research is given. ... the itinerant antiferromagnet chromium we demonstrate that the dynamics of the longitudinal and transverse excitations are very different, resolving a long standing puzzle concerning the slope of their dispersion.

Neutron scattering (progress report) January - December 1991

International Nuclear Information System (INIS)

Buehrer, W.; Fischer, P.; Furrer, A.

1992-02-01

Progress made by the Laboratory for Neutron Scattering of the Swiss Federal Institute of Technology during the year 1991 in the fields of high-T c superconductors, materials science, magnetism, structural research, lattice dynamics, phase transitions, instrumental and support activities is reported. figs., tabs., refs

A thermal neutron scattering law for yttrium hydride

Science.gov (United States)

Zerkle, Michael; Holmes, Jesse

2017-09-01

Yttrium hydride (YH2) is of interest as a high temperature moderator material because of its superior ability to retain hydrogen at elevated temperatures. Thermal neutron scattering laws for hydrogen bound in yttrium hydride (H-YH2) and yttrium bound in yttrium hydride (Y-YH2) prepared using the ab initio approach are presented. Density functional theory, incorporating the generalized gradient approximation (GGA) for the exchange-correlation energy, is used to simulate the face-centered cubic structure of YH2 and calculate the interatomic Hellmann-Feynman forces for a 2 × 2 × 2 supercell containing 96 atoms. Lattice dynamics calculations using PHONON are then used to determine the phonon dispersion relations and density of states. The calculated phonon density of states for H and Y in YH2 are used to prepare H-YH2 and Y-YH2 thermal scattering laws using the LEAPR module of NJOY2012. Analysis of the resulting integral and differential scattering cross sections demonstrates adequate resolution of the S(α,β) function. Comparison of experimental lattice constant, heat capacity, inelastic neutron scattering spectra and total scattering cross section measurements to calculated values are used to validate the thermal scattering laws.

Distorted-wave Born approximation in the case of an optical scattering potential

International Nuclear Information System (INIS)

Mytnichenko, Sergey V.

2005-01-01

Application of the distorted-wave Born approximation in the conventional form developed for the case of a real scattering potential is shown to cause significant errors in calculating X-ray diffuse scattering from non-ideal crystals, superlattices, multilayers and other objects if energy dissipation (photoabsorption, inelastic scattering, and so on) is not negligible, or in other words, in the case of an optical (complex) scattering potential. We show how a correct expression for the X-ray diffuse-scattering cross-section can be obtained in this case. Generally, the diffuse-scattering cross-section from an optical potential is not T-invariant, i.e. the reciprocity principle is violated. Violations of T-invariance are more evident when the dynamical nature of the diffraction is more critical

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

S-matrix formulation of thermodynamics with N-body scatterings

Energy Technology Data Exchange (ETDEWEB)

Lo, Pok Man [University of Wroclaw, Institute of Theoretical Physics, Wroclaw (Poland); Extreme Matter Institute EMMI, GSI, Darmstadt (Germany)

2017-08-15

We apply a phase space expansion scheme to incorporate the N-body scattering processes in the S-matrix formulation of statistical mechanics. A generalized phase shift function suitable for studying the thermal contribution of N → N processes is motivated and examined in various models. Using the expansion scheme, we revisit how the hadron resonance gas model emerges from the S-matrix framework, and consider an example of structureless scattering in which the phase shift function can be exactly worked out. Finally we analyze the influence of dynamics on the phase shift function in a simple example of 3- and 4-body scattering. (orig.)

The fate of scattered planets

Energy Technology Data Exchange (ETDEWEB)

Bromley, Benjamin C. [Department of Physics and Astronomy, University of Utah, 115 S 1400 E, Rm 201, Salt Lake City, UT 84112 (United States); Kenyon, Scott J., E-mail: bromley@physics.utah.edu, E-mail: skenyon@cfa.harvard.edu [Smithsonian Astrophysical Observatory, 60 Garden Street, Cambridge, MA 02138 (United States)

2014-12-01

As gas giant planets evolve, they may scatter other planets far from their original orbits to produce hot Jupiters or rogue planets that are not gravitationally bound to any star. Here, we consider planets cast out to large orbital distances on eccentric, bound orbits through a gaseous disk. With simple numerical models, we show that super-Earths can interact with the gas through dynamical friction to settle in the remote outer regions of a planetary system. Outcomes depend on planet mass, the initial scattered orbit, and the evolution of the time-dependent disk. Efficient orbital damping by dynamical friction requires planets at least as massive as the Earth. More massive, longer-lived disks damp eccentricities more efficiently than less massive, short-lived ones. Transition disks with an expanding inner cavity can circularize orbits at larger distances than disks that experience a global (homologous) decay in surface density. Thus, orbits of remote planets may reveal the evolutionary history of their primordial gas disks. A remote planet with an orbital distance ∼100 AU from the Sun is plausible and might explain correlations in the orbital parameters of several distant trans-Neptunian objects.

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...

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

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.

An inelastic neutron scattering study of hematite nanoparticles

DEFF Research Database (Denmark)

Hansen, Mikkel Fougt; Klausen, Stine Nyborg; Lefmann, K

2003-01-01

We have studied the magnetic dynamics in nanocrystalline hematite by inelastic neutron scattering at the high-resolution time-of-flight spectrometer IRIS at ISIS. Compared to previous inelastic neutron scattering experiments an improvement of the resolution function is achieved and more detailed...... moment at the antiferromagnetic Bragg reflection. We have studied different weightings of the particle size distribution. The data and their temperature dependence can with good agreement be interpreted on the basis of the Neel-Brown theory for superparamagnetic relaxation and a model for the collective...

Resonant scattering of surface plasmon polaritons by dressed quantum dots

Energy Technology Data Exchange (ETDEWEB)

Huang, Danhong; Cardimona, Dave [Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, New Mexico 87117 (United States); Easter, Michelle [Department of Mechanical Engineering, Stevens Institute of Technology, 1 Castle Point Terrace, Hoboken, New Jersey 07030 (United States); Gumbs, Godfrey [Department of Physics and Astronomy, Hunter College of the City University of New York, 695 Park Avenue, New York, New York 10065 (United States); Maradudin, A. A. [Department of Physics and Astronomy, University of California, Irvine, California 92697 (United States); Lin, Shawn-Yu [Department of Electrical, Computer and Systems Engineering, Rensselaer Polytechnic Institute, 110 8th Street, Troy, New York 12180 (United States); Zhang, Xiang [Department of Mechanical Engineering, 3112 Etcheverry Hall, University of California at Berkeley, Berkeley, California 94720 (United States)

2014-06-23

The resonant scattering of surface plasmon-polariton waves (SPP) by embedded semiconductor quantum dots above the dielectric/metal interface is explored in the strong-coupling regime. In contrast to non-resonant scattering by a localized dielectric surface defect, a strong resonant peak in the spectrum of the scattered field is predicted that is accompanied by two side valleys. The peak height depends nonlinearly on the amplitude of SPP waves, reflecting the feedback dynamics from a photon-dressed electron-hole plasma inside the quantum dots. This unique behavior in the scattered field peak strength is correlated with the occurrence of a resonant dip in the absorption spectrum of SPP waves due to the interband photon-dressing effect. Our result on the scattering of SPP waves may be experimentally observable and applied to spatially selective illumination and imaging of individual molecules.

X-ray and neutron scattering studies of complex confined fluids

International Nuclear Information System (INIS)

Sinha, S. K.

1999-01-01

We review recent X-ray and neutron scattering studies of the structure and dynamics of confined complex fluids. This includes the study of polymer conformations and binary fluid phase transitions in porous media using Small Angle Neutron scattering, and the use of synchrotrons radiation to study ordering and fluctuation phenomena at solid/liquid and liquid/air interfaces. Ordering of liquids near a solid surface or in confinement will be discussed, and the study, via specular and off-specular X-ray reflectivity, of capillary wave fluctuations on liquid polymer films. Finally, we shall discuss the use of high-brilliance beams from X-ray synchrotrons to study via photon correlation spectroscopy the slow dynamics of soft condensed matter systems

Thermal-neutron multiple scattering: critical double scattering

International Nuclear Information System (INIS)

Holm, W.A.

1976-01-01

A quantum mechanical formulation for multiple scattering of thermal-neutrons from macroscopic targets is presented and applied to single and double scattering. Critical nuclear scattering from liquids and critical magnetic scattering from ferromagnets are treated in detail in the quasielastic approximation for target systems slightly above their critical points. Numerical estimates are made of the double scattering contribution to the critical magnetic cross section using relevant parameters from actual experiments performed on various ferromagnets. The effect is to alter the usual Lorentzian line shape dependence on neutron wave vector transfer. Comparison with corresponding deviations in line shape resulting from the use of Fisher's modified form of the Ornstein-Zernike spin correlations within the framework of single scattering theory leads to values for the critical exponent eta of the modified correlations which reproduce the effect of double scattering. In addition, it is shown that by restricting the range of applicability of the multiple scattering theory from the outset to critical scattering, Glauber's high energy approximation can be used to provide a much simpler and more powerful description of multiple scattering effects. When sufficiently close to the critical point, it provides a closed form expression for the differential cross section which includes all orders of scattering and has the same form as the single scattering cross section with a modified exponent for the wave vector transfer

Molecular dynamics of conformation-specific dopamine transporter-inhibitor complexes.

Science.gov (United States)

Jean, Bernandie; Surratt, Christopher K; Madura, Jeffry D

2017-09-01

The recreational psychostimulant cocaine inhibits dopamine reuptake from the synapse, resulting in excessive stimulation of postsynaptic dopamine receptors in brain areas associated with reward and addiction. Cocaine binds to and stabilizes the outward- (extracellular-) facing conformation of the dopamine transporter (DAT) protein, while the low abuse potential DAT inhibitor benztropine prefers the inward- (cytoplasmic-) facing conformation. A correlation has been previously postulated between psychostimulant abuse potential and preference for the outward-facing DAT conformation. The 3β-aryltropane cocaine analogs LX10 and LX11, however, differ only in stereochemistry and share a preference for the outward-facing DAT, yet are reported to vary widely in abuse potential in an animal model. In search of the molecular basis for DAT conformation preference, complexes of cocaine, benztropine, LX10 or LX11 bound to each DAT conformation were subjected to 100ns of all-atom molecular dynamics simulation. Results were consistent with previous findings from cysteine accessibility assays used to assess an inhibitor's DAT conformation preference. The respective 2β- and 2α-substituted phenyltropanes of LX10 and LX11 interacted with hydrophobic regions of the DAT S1 binding site that were inaccessible to cocaine. Solvent accessibility measurements also revealed subtle differences in inhibitor positioning within a given DAT conformation. This work serves to advance our understanding of the conformational selectivity of DAT inhibitors and suggests that MD may be useful in antipsychostimulant therapeutic design. Copyright © 2017 Elsevier Inc. All rights reserved.

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)

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

Thermal neutron scattering cross sections of beryllium and magnesium oxides

International Nuclear Information System (INIS)

Al-Qasir, Iyad; Jisrawi, Najeh; Gillette, Victor; Qteish, Abdallah

2016-01-01

Highlights: • Neutron thermalization in BeO and MgO was studied using Ab initio lattice dynamics. • The BeO phonon density of states used to generate the current ENDF library has issues. • The BeO cross sections can provide a more accurate ENDF library than the current one. • For MgO an ENDF library is lacking: a new accurate one can be built from our results. • BeO is a better filter than MgO, especially when cooled down to 77 K. - Abstract: Alkaline-earth beryllium and magnesium oxides are fundamental materials in nuclear industry and thermal neutron scattering applications. The calculation of the thermal neutron scattering cross sections requires a detailed knowledge of the lattice dynamics of the scattering medium. The vibrational properties of BeO and MgO are studied using first-principles calculations within the frame work of the density functional perturbation theory. Excellent agreement between the calculated phonon dispersion relations and the experimental data have been obtained. The phonon densities of states are utilized to calculate the scattering laws using the incoherent approximation. For BeO, there are concerns about the accuracy of the phonon density of states used to generate the current ENDF/B-VII.1 libraries. These concerns are identified, and their influences on the scattering law and inelastic scattering cross section are analyzed. For MgO, no up to date thermal neutron scattering cross section ENDF library is available, and our results represent a potential one for use in different applications. Moreover, the BeO and MgO efficiencies as neutron filters at different temperatures are investigated. BeO is found to be a better filter than MgO, especially when cooled down, and cooling MgO below 77 K does not significantly improve the filter’s efficiency.

Rayleigh scattering in few-mode optical fibers.

Science.gov (United States)

Wang, Zhen; Wu, Hao; Hu, Xiaolong; Zhao, Ningbo; Mo, Qi; Li, Guifang

2016-10-24

The extremely low loss of silica fibers has enabled the telecommunication revolution, but single-mode fiber-optic communication systems have been driven to their capacity limits. As a means to overcome this capacity crunch, space-division multiplexing (SDM) using few-mode fibers (FMF) has been proposed and demonstrated. In single-mode optical fibers, Rayleigh scattering serves as the dominant mechanism for optical loss. However, to date, the role of Rayleigh scattering in FMFs remains elusive. Here we establish and experimentally validate a general model for Rayleigh scattering in FMFs. Rayleigh backscattering not only sets the intrinsic loss limit for FMFs but also provides the theoretical foundation for few-mode optical time-domain reflectometry, which can be used to probe perturbation-induced mode-coupling dynamics in FMFs. We also show that forward inter-modal Rayleigh scattering ultimately sets a fundamental limit on inter-modal-crosstalk for FMFs. Therefore, this work not only has implications specifically for SDM systems but also broadly for few-mode fiber optics and its applications in amplifiers, lasers, and sensors in which inter-modal crosstalk imposes a fundamental performance limitation.

Study of scattering from turbulence structure generated by propeller with FLUENT

Science.gov (United States)

Luo, Gen

2017-07-01

In this article, the turbulence structure generated by a propeller is simulated with the computational fluid dynamics (CFD) software FLUENT. With the method of moments, the backscattering radar cross sections (RCS) of the turbulence structure are calculated. The scattering results can reflect the turbulent intensity of the wave profiles. For the wake turbulence with low rotating speed, the scattering intensity of HH polarization is much smaller than VV polarization at large incident angles. When the turbulence becomes stronger with high rotating speed, the scattering intensity of HH polarization also becomes stronger at large incident angles, which is almost the same with VV polarization. And also, the bistatic scattering of the turbulence structure has the similar situation. These scattering results indicate that the turbulence structure can also give rise to an anomaly compared with traditional sea surface. The study of electromagnetic (EM) scattering from turbulence structure generated by the propeller can help in better understanding of the scattering from different kinds of waves and provide more bases to explain the anomalies of EM scattering from sea surfaces.

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.

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.)

Screening-induced surface polar optical phonon scattering in dual-gated graphene field effect transistors

Energy Technology Data Exchange (ETDEWEB)

Hu, Bo, E-mail: hubo2011@semi.ac.cn

2015-03-15

The effect of surface polar optical phonons (SOs) from the dielectric layers on electron mobility in dual-gated graphene field effect transistors (GFETs) is studied theoretically. By taking into account SO scattering of electron as a main scattering mechanism, the electron mobility is calculated by the iterative solution of Boltzmann transport equation. In treating scattering with the SO modes, the dynamic dielectric screening is included and compared to the static dielectric screening and the dielectric screening in the static limit. It is found that the dynamic dielectric screening effect plays an important role in the range of low net carrier density. More importantly, in-plane acoustic phonon scattering and charged impurity scattering are also included in the total mobility for SiO{sub 2}-supported GFETs with various high-κ top-gate dielectric layers considered. The calculated total mobility results suggest both Al{sub 2}O{sub 3} and AlN are the promising candidate dielectric layers for the enhancement in room temperature mobility of graphene in the future.

Phase transitions and neutron scattering

International Nuclear Information System (INIS)

Shirane, G.

1993-01-01

A review is given of recent advances in neutron scattering studies of solid state physics. I have selected the study of a structural phase transition as the best example to demonstrate the power of neutron scattering techniques. Since energy analysis is relatively easy, the dynamical aspects of a transition can be elucidated by the neutron probe. I shall discuss in some detail current experiments on the 100 K transition in SrTiO 3 , the crystal which has been the paradigm of neutron studies of phase transitions for many years. This new experiment attempts to clarify the relation between the neutron central peak, observed in energy scans, and the two length scales observed in recent x-ray diffraction studies where only scans in momentum space are possible. (author)

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.

Nucleon-deuteron scattering with Δ-isobar excitation: Perturbation theory

International Nuclear Information System (INIS)

Deltuva, A.; Chmielewski, K.; Sauer, P.U.

2003-01-01

A perturbative approach for the description of elastic and inelastic nucleon-deuteron scattering is developed. Its validity is discussed. The aim of the perturbative approach is the isolation of details of different reaction mechanisms. The dynamics is based on a two-baryon potential allowing for the excitation of a nucleon to a Δ isobar. The coupled-channel potential yields an effective three-nucleon force in three-nucleon scattering. The purely nucleonic reference potential is the charge-dependent CD-Bonn potential

Interaction between structurally different heteroexopolysaccharides and β-lactoglobulin studied by solution scattering and analytical ultracentrifugation

DEFF Research Database (Denmark)

Khan, Sanaullah; Birch, Johnny; Van Calsteren, Marie-Rose

2018-01-01

Despite a very large number of bacterial exopolysaccharides have been reported, detailed knowledge on their molecular structures and associative interactions with proteins is lacking. Small-angle X-ray scattering, dynamic light scattering and analytical ultracentrifugation (AUC) were used...

Quasielastic neutron scattering study of large amplitude motions in molecular systems

International Nuclear Information System (INIS)

Bee, M.

1996-01-01

This lecture aims at giving some illustrations of the use of Incoherent Quasielastic Neutron Scattering in the investigation of motions of atoms or molecules in phases with dynamical disorder. The general incoherent scattering function is first recalled. Then the Elastic Incoherent Structure Factor is introduced. It is shown how its determination permits to deduce a particular dynamical model. Long-range translational diffusion is illustrated by some experiments carried out with liquids or with different chemical species intercalated in porous media. Examples of rotational motions are provided by solid phases where an orientational disorder of the molecules exists. The jump model is the most commonly used and yields simple scattering laws which can be easily handled. Highly disordered crystals require a description in terms of the isotropic rotational diffusion model. Many of the present studies are concerned with rather complicated systems. Considerable help is obtained either by using selectively deuterated samples or by carrying out measurements with semi-oriented samples. (author) 5 figs., 14 refs

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.

Observation of inward and outward particle convection in the core of electron cyclotron heated and current driven plasmas in the Tokamak a Configuration Variable

International Nuclear Information System (INIS)

Furno, I.; Weisen, H.

2003-01-01

In the Tokamak a Configuration Variable [F. Hofmann, J.B. Lister, M. Anton et al., Plasma Phys. Controlled Fusion 36, B277 (1994)], inward or outward convection in the core of electron cyclotron heated and current driven plasmas is observed, depending on discharge conditions. In sawtoothing discharges with central electron cyclotron heating, outward convection is observed when a quasicontinuous m=1 kink mode is present, resulting in inverted sawteeth on the central electron density, while in the absence thereof, inward convection between successive sawtooth crashes leads to 'normal' sawteeth. The occurrence of a kink mode depends sensitively on plasma triangularity. When sawteeth are stabilized with central co- or counterelectron cyclotron current drive, stationary hollow electron density profiles are observed in the presence of m=1 modes, while peaked or flat profiles are observed in magnetohydrodynamic quiescent discharges. The observation of peaked density profiles in fully electron cyclotron driven plasmas demonstrates that pinch processes other than the Ware pinch must be responsible for these phenomena

Two-body Dirac equations for nucleon-nucleon scattering