WorldWideScience

Sample records for relaxation events dynamical

  1. Dynamics of relaxed inflation

    Science.gov (United States)

    Tangarife, Walter; Tobioka, Kohsaku; Ubaldi, Lorenzo; Volansky, Tomer

    2018-02-01

    The cosmological relaxation of the electroweak scale has been proposed as a mechanism to address the hierarchy problem of the Standard Model. A field, the relaxion, rolls down its potential and, in doing so, scans the squared mass parameter of the Higgs, relaxing it to a parametrically small value. In this work, we promote the relaxion to an inflaton. We couple it to Abelian gauge bosons, thereby introducing the necessary dissipation mechanism which slows down the field in the last stages. We describe a novel reheating mechanism, which relies on the gauge-boson production leading to strong electro-magnetic fields, and proceeds via the vacuum production of electron-positron pairs through the Schwinger effect. We refer to this mechanism as Schwinger reheating. We discuss the cosmological dynamics of the model and the phenomenological constraints from CMB and other experiments. We find that a cutoff close to the Planck scale may be achieved. In its minimal form, the model does not generate sufficient curvature perturbations and additional ingredients, such as a curvaton field, are needed.

  2. Nonlinear Relaxation in Population Dynamics

    Science.gov (United States)

    Cirone, Markus A.; de Pasquale, Ferdinando; Spagnolo, Bernardo

    We analyze the nonlinear relaxation of a complex ecosystem composed of many interacting species. The ecological system is described by generalized Lotka-Volterra equations with a multiplicative noise. The transient dynamics is studied in the framework of the mean field theory and with random interaction between the species. We focus on the statistical properties of the asymptotic behaviour of the time integral of the ith population and on the distribution of the population and of the local field.

  3. Relaxation dynamics following transition of solvated electrons

    International Nuclear Information System (INIS)

    Barnett, R.B.; Landman, U.; Nitzan, A.

    1989-01-01

    Relaxation dynamics following an electronic transition of an excess solvated electron in clusters and in bulk water is studied using an adiabatic simulation method. In this method the solvent evolves classically and the electron is constrained to a specified state. The coupling between the solvent and the excess electron is evaluated via the quantum expectation value of the electron--water molecule interaction potential. The relaxation following excitation (or deexcitation) is characterized by two time scales: (i) a very fast (/similar to/20--30 fs) one associated with molecular rotations in the first solvation shell about the electron, and (ii) a slower stage (/similar to/200 fs), which is of the order of the longitudinal dielectric relaxation time. The fast relaxation stage exhibits an isotope effect. The spectroscopical consequences of the relaxation dynamics are discussed

  4. Dynamics of helicity transport and Taylor relaxation

    International Nuclear Information System (INIS)

    Diamond, P.H.; Malkov, M.

    2003-01-01

    A simple model of the dynamics of Taylor relaxation is derived using symmetry principles alone. No statistical closure approximations are invoked or detailed plasma model properties assumed. Notably, the model predicts several classes of nondiffusive helicity transport phenomena, including traveling nonlinear waves and superdiffusive turbulent pulses. A universal expression for the scaling of the effective magnetic Reynolds number of a system undergoing Taylor relaxation is derived. Some basic properties of intermittency in helicity transport are examined

  5. Molecular potentials and relaxation dynamics

    International Nuclear Information System (INIS)

    Karo, A.M.

    1981-01-01

    The use of empirical pseudopotentials, in evaluating interatomic potentials, provides an inexpensive and convenient method for obtaining highly accurate potential curves and permits the modeling of core-valence correlation, and the inclusion of relativistic effects when these are significant. Recent calculations of the X 1 Σ + and a 3 Σ + states of LiH, NaH, KH, RbH, and CsH and the X 2 Σ + states of their anions are discussed. Pseudopotentials, including core polarization terms, have been used to replace the core electrons, and this has been coupled with the development of compact, higly-optimized basis sets for the corresponding one- and two-electron atoms. Comparisons of the neutral potential curves with experiment and other ab initio calculations show good agreement (within 1000 cm -1 over most of the potential curves) with the difference curves being considerably more accurate. In the method of computer molecular dynamics, the force acting on each particle is the resultant of all interactions with other atoms in the neighborhood and is obtained as the derivative of an effective many-body potential. Exploiting the pseudopotential approach, in obtaining the appropriate potentials may be very fruitful in the future. In the molecular dynamics example considered here, the conventional sum-of-pairwise-interatomic-potentials (SPP) approximation is used with the potentials derived either from experimental spectroscopic data or from Hartree-Fock calculations. The problem is the collisional de-excitation of vibrationally excited molecular hydrogen at an Fe surface. The calculations have been carried out for an initial vibrotational state v = 8, J = 1 and a translational temperature corresponding to a gas temperature of 500 0 K. Different angles of approach and different initial random impact points on the surface have been selected. For any given collision with the wall, the molecule may pick up or lose vibrotatonal and translational energy

  6. Relaxation dynamics of multilayer triangular Husimi cacti

    Science.gov (United States)

    Galiceanu, Mircea; Jurjiu, Aurel

    2016-09-01

    We focus on the relaxation dynamics of multilayer polymer structures having, as underlying topology, the Husimi cactus. The relaxation dynamics of the multilayer structures is investigated in the framework of generalized Gaussian structures model using both Rouse and Zimm approaches. In the Rouse type-approach, we determine analytically the complete eigenvalues spectrum and based on it we calculate the mechanical relaxation moduli (storage and loss modulus) and the average monomer displacement. First, we monitor these physical quantities for structures with a fixed generation number and we increase the number of layers, such that the linear topology will smoothly come into play. Second, we keep constant the size of the structures, varying simultaneously two parameters: the generation number of the main layer, G, and the number of layers, c. This fact allows us to study in detail the crossover from a pure Husimi cactus behavior to a predominately linear chain behavior. The most interesting situation is found when the two limiting topologies cancel each other. For this case, we encounter in the intermediate frequency/time domain regions of constant slope for different values of the parameter set (G, c) and we show that the number of layers follows an exponential-law of G. In the Zimm-type approach, which includes the hydrodynamic interactions, the quantities that describe the mechanical relaxation dynamics do not show scaling behavior as in the Rouse model, except the limiting case, namely, a very high number of layers and low generation number.

  7. Dynamical relaxation in 2HDM models

    Science.gov (United States)

    Lalak, Zygmunt; Markiewicz, Adam

    2018-03-01

    Dynamical relaxation provides an interesting solution to the hierarchy problem in face of the missing signatures of any new physics in recent experiments. Through a dynamical process taking place in the inflationary phase of the Universe it manages to achieve a small electroweak scale without introducing new states observable in current experiments. Appropriate approximation makes it possible to derive an explicit formula for the final vevs in the double-scanning scenario extended to a model with two Higgs doublets (2HDM). Analysis of the relaxation in the 2HDM confirms that in a general case it is impossible to keep vevs of both scalars small, unless fine-tuning is present or additional symmetries are cast upon the Lagrangian. Within the slightly constrained variant of the 2HDM, where odd powers of the fields’ expectation values are not present (which can be easily enforced by requiring that the doublets have different gauge transformations or by imposing a global symmetry) it is shown that the difference between the vevs of two scalars tends to be proportional to the cutoff. The analysis of the relaxation in 2HDM indicates that in a general case the relaxation would be stopped by the first doublet that gains a vev, with the other one remaining vevless with a mass of the order of the cutoff. This happens to conform with the inert doublet model.

  8. Charge Relaxation Dynamics of an Electrolytic Nanocapacitor

    Science.gov (United States)

    2015-01-01

    Understanding ion relaxation dynamics in overlapping electric double layers (EDLs) is critical for the development of efficient nanotechnology-based electrochemical energy storage, electrochemomechanical energy conversion, and bioelectrochemical sensing devices as well as the controlled synthesis of nanostructured materials. Here, a lattice Boltzmann (LB) method is employed to simulate an electrolytic nanocapacitor subjected to a step potential at t = 0 for various degrees of EDL overlap, solvent viscosities, ratios of cation-to-anion diffusivity, and electrode separations. The use of a novel continuously varying and Galilean-invariant molecular-speed-dependent relaxation time (MSDRT) with the LB equation recovers a correct microscopic description of the molecular-collision phenomena and enhances the stability of the LB algorithm. Results for large EDL overlaps indicated oscillatory behavior for the ionic current density, in contrast to monotonic relaxation to equilibrium for low EDL overlaps. Further, at low solvent viscosities and large EDL overlaps, anomalous plasmalike spatial oscillations of the electric field were observed that appeared to be purely an effect of nanoscale confinement. Employing MSDRT in our simulations enabled modeling of the fundamental physics of the transient charge relaxation dynamics in electrochemical systems operating away from equilibrium wherein Nernst–Einstein relation is known to be violated. PMID:25678941

  9. Hydrodynamic relaxations in dissipative particle dynamics

    Science.gov (United States)

    Hansen, J. S.; Greenfield, Michael L.; Dyre, Jeppe C.

    2018-01-01

    This paper studies the dynamics of relaxation phenomena in the standard dissipative particle dynamics (DPD) model [R. D. Groot and P. B. Warren, J. Chem. Phys. 107, 4423 (1997)]. Using fluctuating hydrodynamics as the framework of the investigation, we focus on the collective transverse and longitudinal dynamics. It is shown that classical hydrodynamic theory predicts the transverse dynamics at relatively low temperatures very well when compared to simulation data; however, the theory predictions are, on the same length scale, less accurate for higher temperatures. The agreement with hydrodynamics depends on the definition of the viscosity, and here we find that the transverse dynamics are independent of the dissipative and random shear force contributions to the stress. For high temperatures, the spectrum for the longitudinal dynamics is dominated by the Brillouin peak for large length scales and the relaxation is therefore governed by sound wave propagation and is athermal. This contrasts the results at lower temperatures and small length scale, where the thermal process is clearly present in the spectra. The DPD model, at least qualitatively, re-captures the underlying hydrodynamical mechanisms, and quantitative agreement is excellent at intermediate temperatures for the transverse dynamics.

  10. Dynamics of Charged Events

    International Nuclear Information System (INIS)

    Bachas, Constantin; Bunster, Claudio; Henneaux, Marc

    2009-01-01

    In three spacetime dimensions the world volume of a magnetic source is a single point, an event. We make the event dynamical by regarding it as the imprint of a flux-carrying particle impinging from an extra dimension. This can be generalized to higher spacetime dimensions and to extended events. We exhibit universal observable consequences of the existence of events and argue that events are as important as particles or branes. We explain how events arise on the world volume of membranes in M theory, and in a Josephson junction in superconductivity.

  11. Modern problems of relaxation gas dynamics

    International Nuclear Information System (INIS)

    Losev, S.A.; Osipov, A.I.

    1985-01-01

    Some of the dynamical characteristics of relaxation processes are studied. Unfortunately, many dynamical characteristics of relaxation processes, necessary for the solution of important scientific and applied problems, are not known. These problems require further development of experimental methods of the study of nonequilibrium gas. It is known, that gas systems are shifted from the equilibrium by different methods: by acoustic and shock wav es, by means of gas expansion in nozzles and jets, by powerful radiations (laser, first of all), by electric discharges, in burning and combustion devices, etc. Non-equilibrium gas is produced in installations of continuum, impulse and periodic regime. Molecular beams, shock tubes (especially with nozzles), flow and jet installations, aerodynamical tubes, plasmatrons, vessels with a gas, influenced by the strong radiation, burners and combustion devices, where the study of non-euilibrium gas is helpful to solve the problems of the determination of kinetic equations and constants of physico-chemical kinetics

  12. Reliable Approximation of Long Relaxation Timescales in Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Wei Zhang

    2017-07-01

    Full Text Available Many interesting rare events in molecular systems, like ligand association, protein folding or conformational changes, occur on timescales that often are not accessible by direct numerical simulation. Therefore, rare event approximation approaches like interface sampling, Markov state model building, or advanced reaction coordinate-based free energy estimation have attracted huge attention recently. In this article we analyze the reliability of such approaches. How precise is an estimate of long relaxation timescales of molecular systems resulting from various forms of rare event approximation methods? Our results give a theoretical answer to this question by relating it with the transfer operator approach to molecular dynamics. By doing so we also allow for understanding deep connections between the different approaches.

  13. Space and time dynamical heterogeneity in glassy relaxation. The role of democratic clusters

    International Nuclear Information System (INIS)

    Appignanesi, G A; Rodriguez Fris, J A

    2009-01-01

    In this work we review recent computational advances in the understanding of the relaxation dynamics of supercooled glass-forming liquids. In such a supercooled regime these systems experience a striking dynamical slowing down which can be rationalized in terms of the picture of dynamical heterogeneities, wherein the dynamics can vary by orders of magnitude from one region of the sample to another and where the sizes and timescales of such slowly relaxing regions are expected to increase considerably as the temperature is decreased. We shall focus on the relaxation events at a microscopic level and describe the finding of the collective motions of particles responsible for the dynamical heterogeneities. In so doing, we shall demonstrate that the dynamics in different regions of the system is not only heterogeneous in space but also in time. In particular, we shall be interested in the events relevant to the long-time structural relaxation or α relaxation. In this regard, we shall focus on the discovery of cooperatively relaxing units involving the collective motion of relatively compact clusters of particles, called 'democratic clusters' or d-clusters. These events have been shown to trigger transitions between metabasins of the potential energy landscape (collections of similar configurations or structures) and to consist of the main steps in the α relaxation. Such events emerge in systems quite different in nature such as simple model glass formers and supercooled amorphous water. Additionally, another relevant issue in this context consists in the determination of a link between structure and dynamics. In this context, we describe the relationship between the d-cluster events and the constraints that the local structure poses on the relaxation dynamics, thus revealing their role in reformulating structural constraints. (topical review)

  14. Structural relaxation dynamics and annealing effects of sodium silicate glass.

    Science.gov (United States)

    Naji, Mohamed; Piazza, Francesco; Guimbretière, Guillaume; Canizarès, Aurélien; Vaills, Yann

    2013-05-09

    Here we report high-precision measurements of structural relaxation dynamics in the glass transition range at the intermediate and short length scale for a strong sodium silicate glass during long annealing times. We evidence for the first time the heterogeneous dynamics at the intermediate range order by probing the acoustic longitudinal frequency in the GHz region by Brillouin light scattering spectroscopy. Or, from in-situ Raman measurements, we show that relaxation is indeed homogeneous at the interatomic length scale. Our results show that the dynamics at the intermediate range order contains two distinct relaxation time scales, a fast and a slow component, differing by about a 10-fold factor below Tg and approaching to one another past the glass transition. The slow relaxation time agrees with the shear relaxation time, proving that Si-O bond breaking constitutes the primary control of structural relaxation at the intermediate range order.

  15. Accelerating convergence of molecular dynamics-based structural relaxation

    DEFF Research Database (Denmark)

    Christensen, Asbjørn

    2005-01-01

    We describe strategies to accelerate the terminal stage of molecular dynamics (MD)based relaxation algorithms, where a large fraction of the computational resources are used. First, we analyze the qualitative and quantitative behavior of the QuickMin family of MD relaxation algorithms and explore...

  16. Density dependence of relaxation dynamics in glass formers, and ...

    Indian Academy of Sciences (India)

    Anshul D S Parmar

    formers, we study the variation of relaxation dynamics with density, rather than temperature, as a control ... stronger behaviour, the use of scaled variables involving temperature and ... of the temperature dependence of B as written defines.

  17. Slow logarithmic relaxation in models with hierarchically constrained dynamics

    OpenAIRE

    Brey, J. J.; Prados, A.

    2000-01-01

    A general kind of models with hierarchically constrained dynamics is shown to exhibit logarithmic anomalous relaxation, similarly to a variety of complex strongly interacting materials. The logarithmic behavior describes most of the decay of the response function.

  18. Relaxation Dynamics of Nanoparticle-Tethered Polymer Chains

    KAUST Repository

    Kim, Sung A; Mangal, Rahul; Archer, Lynden A.

    2015-01-01

    © 2015 American Chemical Society. Relaxation dynamics of nanoparticle-tethered cis-1,4-polyisoprene (PI) are investigated using dielectric spectroscopy and rheometry. A model system composed of polymer chains densely grafted to spherical SiO2

  19. Exciton-relaxation dynamics in lead halides

    International Nuclear Information System (INIS)

    Iwanaga, Masanobu; Hayashi, Tetsusuke

    2003-01-01

    We survey recent comprehensive studies of exciton relaxation in the crystals of lead halides. The luminescence and electron-spin-resonance studies have revealed that excitons in lead bromide spontaneously dissociate and both electrons and holes get self-trapped individually. Similar relaxation has been also clarified in lead chloride. The electron-hole separation is ascribed to repulsive correlation via acoustic phonons. Besides, on the basis of the temperature profiles of self-trapped states, we discuss the origin of luminescence components which are mainly induced under one-photon excitation into the exciton band in lead fluoride, lead chloride, and lead bromide

  20. Non-monotonic behaviour in relaxation dynamics of image restoration

    International Nuclear Information System (INIS)

    Ozeki, Tomoko; Okada, Masato

    2003-01-01

    We have investigated the relaxation dynamics of image restoration through a Bayesian approach. The relaxation dynamics is much faster at zero temperature than at the Nishimori temperature where the pixel-wise error rate is minimized in equilibrium. At low temperature, we observed non-monotonic development of the overlap. We suggest that the optimal performance is realized through premature termination in the relaxation processes in the case of the infinite-range model. We also performed Markov chain Monte Carlo simulations to clarify the underlying mechanism of non-trivial behaviour at low temperature by checking the local field distributions of each pixel

  1. Non-Lipschitz Dynamics Approach to Discrete Event Systems

    Science.gov (United States)

    Zak, M.; Meyers, R.

    1995-01-01

    This paper presents and discusses a mathematical formalism for simulation of discrete event dynamics (DED) - a special type of 'man- made' system designed to aid specific areas of information processing. A main objective is to demonstrate that the mathematical formalism for DED can be based upon the terminal model of Newtonian dynamics which allows one to relax Lipschitz conditions at some discrete points.

  2. Relaxation towards phase-locked dynamics in long Josephson junctions

    DEFF Research Database (Denmark)

    Salerno, M.; Grønbech-Jensen, Niels; Samuelsen, Mogens Rugholm

    1995-01-01

    We study the relaxation phenomenon towards phase-locked dynamics in long Josephson junctions. In particular the dependence of the relaxation frequency for the equal time of flight solution on the junction parameters is derived. The analysis is based on a phase-locked map and is compared with direct...... numerical experiments performed both on the map and on the perturbed sine-Gordon equation. As an interesting result we find that very close to a bifurcation the relaxation frequency is exactly equal to the half of the step frequency, i.e., the frequency characterizing the period-one solution....

  3. Hotspot relaxation dynamics in a current-carrying superconductor

    Science.gov (United States)

    Marsili, F.; Stevens, M. J.; Kozorezov, A.; Verma, V. B.; Lambert, Colin; Stern, J. A.; Horansky, R. D.; Dyer, S.; Duff, S.; Pappas, D. P.; Lita, A. E.; Shaw, M. D.; Mirin, R. P.; Nam, S. W.

    2016-03-01

    We experimentally studied the dynamics of optically excited hotspots in current-carrying WSi superconducting nanowires as a function of bias current, bath temperature, and excitation wavelength. We observed that the hotspot relaxation time depends on bias current, temperature, and wavelength. We explained this effect with a model based on quasiparticle recombination, which provides insight into the quasiparticle dynamics of superconductors.

  4. Nonequilibrium thermodynamics and information theory: basic concepts and relaxing dynamics

    International Nuclear Information System (INIS)

    Altaner, Bernhard

    2017-01-01

    Thermodynamics is based on the notions of energy and entropy. While energy is the elementary quantity governing physical dynamics, entropy is the fundamental concept in information theory. In this work, starting from first principles, we give a detailed didactic account on the relations between energy and entropy and thus physics and information theory. We show that thermodynamic process inequalities, like the second law, are equivalent to the requirement that an effective description for physical dynamics is strongly relaxing. From the perspective of information theory, strongly relaxing dynamics govern the irreversible convergence of a statistical ensemble towards the maximally non-commital probability distribution that is compatible with thermodynamic equilibrium parameters. In particular, Markov processes that converge to a thermodynamic equilibrium state are strongly relaxing. Our framework generalizes previous results to arbitrary open and driven systems, yielding novel thermodynamic bounds for idealized and real processes. (paper)

  5. Extracting protein dynamics information from overlapped NMR signals using relaxation dispersion difference NMR spectroscopy.

    Science.gov (United States)

    Konuma, Tsuyoshi; Harada, Erisa; Sugase, Kenji

    2015-12-01

    Protein dynamics plays important roles in many biological events, such as ligand binding and enzyme reactions. NMR is mostly used for investigating such protein dynamics in a site-specific manner. Recently, NMR has been actively applied to large proteins and intrinsically disordered proteins, which are attractive research targets. However, signal overlap, which is often observed for such proteins, hampers accurate analysis of NMR data. In this study, we have developed a new methodology called relaxation dispersion difference that can extract conformational exchange parameters from overlapped NMR signals measured using relaxation dispersion spectroscopy. In relaxation dispersion measurements, the signal intensities of fluctuating residues vary according to the Carr-Purcell-Meiboon-Gill pulsing interval, whereas those of non-fluctuating residues are constant. Therefore, subtraction of each relaxation dispersion spectrum from that with the highest signal intensities, measured at the shortest pulsing interval, leaves only the signals of the fluctuating residues. This is the principle of the relaxation dispersion difference method. This new method enabled us to extract exchange parameters from overlapped signals of heme oxygenase-1, which is a relatively large protein. The results indicate that the structural flexibility of a kink in the heme-binding site is important for efficient heme binding. Relaxation dispersion difference requires neither selectively labeled samples nor modification of pulse programs; thus it will have wide applications in protein dynamics analysis.

  6. Extracting protein dynamics information from overlapped NMR signals using relaxation dispersion difference NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Konuma, Tsuyoshi [Icahn School of Medicine at Mount Sinai, Department of Structural and Chemical Biology (United States); Harada, Erisa [Suntory Foundation for Life Sciences, Bioorganic Research Institute (Japan); Sugase, Kenji, E-mail: sugase@sunbor.or.jp, E-mail: sugase@moleng.kyoto-u.ac.jp [Kyoto University, Department of Molecular Engineering, Graduate School of Engineering (Japan)

    2015-12-15

    Protein dynamics plays important roles in many biological events, such as ligand binding and enzyme reactions. NMR is mostly used for investigating such protein dynamics in a site-specific manner. Recently, NMR has been actively applied to large proteins and intrinsically disordered proteins, which are attractive research targets. However, signal overlap, which is often observed for such proteins, hampers accurate analysis of NMR data. In this study, we have developed a new methodology called relaxation dispersion difference that can extract conformational exchange parameters from overlapped NMR signals measured using relaxation dispersion spectroscopy. In relaxation dispersion measurements, the signal intensities of fluctuating residues vary according to the Carr-Purcell-Meiboon-Gill pulsing interval, whereas those of non-fluctuating residues are constant. Therefore, subtraction of each relaxation dispersion spectrum from that with the highest signal intensities, measured at the shortest pulsing interval, leaves only the signals of the fluctuating residues. This is the principle of the relaxation dispersion difference method. This new method enabled us to extract exchange parameters from overlapped signals of heme oxygenase-1, which is a relatively large protein. The results indicate that the structural flexibility of a kink in the heme-binding site is important for efficient heme binding. Relaxation dispersion difference requires neither selectively labeled samples nor modification of pulse programs; thus it will have wide applications in protein dynamics analysis.

  7. Free volume and relaxation dynamics of polymeric systems

    International Nuclear Information System (INIS)

    Bartos, J.; Kristiak, J.

    1999-01-01

    In this contribution use of positron annihilation spectroscopy (PALS) for the study of free volume and relaxation dynamics of some polymeric systems (1,4-polybutadiene, cis-1,4-polyisoprene, polyisobutylene, trans-1,4-polychloropropene, atactic polypropylene and 1,2-polybutadiene) is discussed

  8. Molecular dynamics study on the relaxation properties of bilayered ...

    Indian Academy of Sciences (India)

    2017-08-31

    Aug 31, 2017 ... Abstract. The influence of defects on the relaxation properties of bilayered graphene (BLG) has been studied by molecular dynamics simulation in nanometre sizes. Type and position of defects were taken into account in the calculated model. The results show that great changes begin to occur in the ...

  9. The effect of the Magnus force on skyrmion relaxation dynamics

    OpenAIRE

    Brown, Barton L.; Täuber, Uwe C.; Pleimling, Michel

    2018-01-01

    We perform systematic Langevin molecular dynamics simulations of interacting skyrmions in thin films. The interplay between Magnus force, repulsive skyrmion-skyrmion interaction and thermal noise yields different regimes during non-equilibrium relaxation. In the noise-dominated regime the Magnus force enhances the disordering effects of the thermal noise. In the Magnus-force-dominated regime, the Magnus force cooperates with the skyrmion-skyrmion interaction to yield a dynamic regime with slo...

  10. Dynamics and relaxation in confined medium. Application to 129Xe magnetic relaxation in Vycor

    International Nuclear Information System (INIS)

    Pasquier, Virginie

    1995-01-01

    Porous media morphology and topology drive the exploration of pore space by fluid. So, analysis of transport process, associated with relaxation mechanism, allows indirect study of pore geometry. The purpose of this work is to understand better the relation between geometry and transport. This study involves two parts: a modelization and prediction step is followed by an experimental application of magnetic relaxation. Numerical simulations and analytical models allow to quantify the influence on the solid interface of the dynamical behavior of confined gas in disordered porous media (granular structure and porous network) or in common geometry (cylindrical and lamellar interfaces). The formalism of diffusion propagator is a powerful tool to quantify the influence of the pore geometry on the diffusion of confined gas. The propagator holds all dynamical information on the system; it also predicts the temporal evolution of the autocorrelation functions of the Hamiltonian describing local coupling. In an intermediate time scale, magnetic relaxation shows complex diffusional regime: the autocorrelation functions decrease in a power law with a exponent smaller than d/2 (where d is the Euclidian dimension of the system). This behavior is analogous to dynamic in low-dimensional space, but here arises from surface correlations of the porous media. The long-time behavior of the autocorrelation functions retrieves the asymptotic decrease t -d/2 . Moreover, atypical behavior is observed for the Knudsen diffusion between infinite planes. It turns out that 129 Xe NMR is a appropriate technique to characterize organization and diffusion of gas confined in Vycor. Systematic studies of temperature and pressure effect on the 129 Xe chemical shift allow to specify the Xe/solid interaction. The analysis of the relaxation measurements, thanks to the numerical development, confirms conclusions arising from the study of diffusion propagator. (author) [fr

  11. Non-exponential dynamic relaxation in strongly nonequilibrium nonideal plasmas

    International Nuclear Information System (INIS)

    Morozov, I V; Norman, G E

    2003-01-01

    Relaxation of kinetic energy to the equilibrium state is simulated by the molecular dynamics method for nonideal two-component non-degenerate plasmas. Three limiting examples of initial states of strongly nonequilibrium plasma are considered: zero electron velocities, zero ion velocities and zero velocities of both electrons and ions. The initial non-exponential stage, its duration τ nB and subsequent exponential stages of the relaxation process are studied for a wide range of the nonideality parameter and the ion mass

  12. Tracking ultrafast relaxation dynamics of furan by femtosecond photoelectron imaging

    International Nuclear Information System (INIS)

    Liu, Yuzhu; Knopp, Gregor; Qin, Chaochao; Gerber, Thomas

    2015-01-01

    Graphical abstract: - Highlights: • Relaxation dynamics of furan are tracked by femtosecond photoelectron imaging. • The mechanism for ultrafast formation of α-carbene and β-carbene is proposed. • Ultrafast internal conversion from S 2 to S 1 is observed. • The transient characteristics of the fragment ions are obtained. • Single-color multi-photon ionization dynamics at 800 nm are also studied. - Abstract: Ultrafast internal conversion dynamics of furan has been studied by femtosecond photoelectron imaging (PEI) coupled with photofragmentation (PF) spectroscopy. Photoelectron imaging of single-color multi-photon ionization and two-color pump–probe ionization are obtained and analyzed. Photoelectron bands are assigned to the related states. The time evolution of the photoelectron signal by pump–probe ionization can be well described by a biexponential decay: two rapid relaxation pathways with time constants of ∼15 fs and 85 (±11) fs. The rapid relaxation is ascribed to the ultrafast internal conversion (IC) from the S 2 state to the vibrationally hot S 1 state. The second relaxation process is attributed to the redistributions and depopulation of secondarily populated high vibronic S 1 state and the formation of α-carbene and β-carbene by H immigration. Additionally, the transient characteristics of the fragment ions are also measured and discussed as a complementary understanding

  13. Tracking ultrafast relaxation dynamics of furan by femtosecond photoelectron imaging

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yuzhu, E-mail: yuzhu.liu@gmail.com [School of Physics and Optoelectronic Engineering, Nanjing University of Information Science and Technology, Nanjing 210044 (China); Knopp, Gregor [Paul Scherrer Institute, Villigen 5232 (Switzerland); Qin, Chaochao [Department of Physics, Henan Normal University, Xinxiang 453007 (China); Gerber, Thomas [Paul Scherrer Institute, Villigen 5232 (Switzerland)

    2015-01-13

    Graphical abstract: - Highlights: • Relaxation dynamics of furan are tracked by femtosecond photoelectron imaging. • The mechanism for ultrafast formation of α-carbene and β-carbene is proposed. • Ultrafast internal conversion from S{sub 2} to S{sub 1} is observed. • The transient characteristics of the fragment ions are obtained. • Single-color multi-photon ionization dynamics at 800 nm are also studied. - Abstract: Ultrafast internal conversion dynamics of furan has been studied by femtosecond photoelectron imaging (PEI) coupled with photofragmentation (PF) spectroscopy. Photoelectron imaging of single-color multi-photon ionization and two-color pump–probe ionization are obtained and analyzed. Photoelectron bands are assigned to the related states. The time evolution of the photoelectron signal by pump–probe ionization can be well described by a biexponential decay: two rapid relaxation pathways with time constants of ∼15 fs and 85 (±11) fs. The rapid relaxation is ascribed to the ultrafast internal conversion (IC) from the S{sub 2} state to the vibrationally hot S{sub 1} state. The second relaxation process is attributed to the redistributions and depopulation of secondarily populated high vibronic S{sub 1} state and the formation of α-carbene and β-carbene by H immigration. Additionally, the transient characteristics of the fragment ions are also measured and discussed as a complementary understanding.

  14. Relaxation oscillations and transport barrier dynamics in tokamak edge plasmas

    International Nuclear Information System (INIS)

    Benkadda, Sadruddin; Beyer, Peter; Fuhr-Chaudier, Guillaume; Garbet, Xavier; Ghendrih, Philippe; Sarazin, Yanick

    2004-01-01

    Oscillations of turbulent transport of particles and energy in magnetically confined plasmas can be easily observed in simulations of a variety of turbulence models. These oscillations typically involve a mechanism of energy exchange between fluctuations and a poloidal shear flow. This kind of ''predator-prey'' mechanism is found to be not relevant for transport barrier relaxations. In RBM simulations of resistive ballooning turbulence with transport barrier, relaxation oscillations of the latter are observed even in the case of frozen poloidal shear flow. These relaxations are due to a transitory growth of a mode localized at the barrier center. A one-dimensional model for the evolution of such a mode in the presence of a shear flow describes a transitory growth of an initial perturbation. Oscillations in the case of a finite steady-state shear flow are possible due to the coupling of the mode to the dynamics of the pressure profile. (author)

  15. Dynamic SEP event probability forecasts

    Science.gov (United States)

    Kahler, S. W.; Ling, A.

    2015-10-01

    The forecasting of solar energetic particle (SEP) event probabilities at Earth has been based primarily on the estimates of magnetic free energy in active regions and on the observations of peak fluxes and fluences of large (≥ M2) solar X-ray flares. These forecasts are typically issued for the next 24 h or with no definite expiration time, which can be deficient for time-critical operations when no SEP event appears following a large X-ray flare. It is therefore important to decrease the event probability forecast with time as a SEP event fails to appear. We use the NOAA listing of major (≥10 pfu) SEP events from 1976 to 2014 to plot the delay times from X-ray peaks to SEP threshold onsets as a function of solar source longitude. An algorithm is derived to decrease the SEP event probabilities with time when no event is observed to reach the 10 pfu threshold. In addition, we use known SEP event size distributions to modify probability forecasts when SEP intensity increases occur below the 10 pfu event threshold. An algorithm to provide a dynamic SEP event forecast, Pd, for both situations of SEP intensities following a large flare is derived.

  16. Relaxation Dynamics of Nanoparticle-Tethered Polymer Chains

    KAUST Repository

    Kim, Sung A

    2015-09-08

    © 2015 American Chemical Society. Relaxation dynamics of nanoparticle-tethered cis-1,4-polyisoprene (PI) are investigated using dielectric spectroscopy and rheometry. A model system composed of polymer chains densely grafted to spherical SiO2 nanoparticles to form self-suspended suspensions facilitates detailed studies of slow global chain and fast segmental mode dynamics under surface and geometrical confinement-from experiments performed in bulk materials. We report that unentangled polymer molecules tethered to nanoparticles relax far more slowly than their tethered entangled counterparts. Specifically, at fixed grafting density we find, counterintuitively, that increasing the tethered polymer molecular weight up to values close to the entanglement molecular weight speeds up chain relaxation dynamics. Decreasing the polymer grafting density for a fixed molecular weight has the opposite effect: it dramatically slows down chain relaxation, increases interchain coupling, and leads to a transition in rheological response from simple fluid behavior to viscoelastic fluid behavior for tethered PI chains that are unentangled by conventional measures. Increasing the measurement temperature produces an even stronger elastic response and speeds up molecular relaxation at a rate that decreases with grafting density and molecular weight. These observations are discussed in terms of chain confinement driven by crowding between particles and by the existence of an entropic attractive force produced by the space-filling constraint on individual chains in a self-suspended material. Our results indicate that the entropic force between densely grafted polymer molecules couples motions of individual chains in an analogous manner to reversible cross-links in associating polymers.

  17. Dynamic relaxation method in analysis of reinforced concrete bent elements

    Directory of Open Access Journals (Sweden)

    Anna Szcześniak

    2015-12-01

    Full Text Available The paper presents a method for the analysis of nonlinear behaviour of reinforced concrete bent elements subjected to short-term static load. The considerations in the range of modelling of deformation processes of reinforced concrete element were carried out. The method of structure effort analysis was developed using the finite difference method. The Dynamic Relaxation Method, which — after introduction of critical damping — allows for description of the static behaviour of a structural element, was used to solve the system of nonlinear equilibrium equations. In order to increase the method effectiveness in the range of the post-critical analysis, the Arc Length Parameter on the equilibrium path was introduced into the computational procedure.[b]Keywords[/b]: reinforced concrete elements, physical nonlinearity, geometrical nonlinearity, dynamic relaxation method, arc-length method

  18. Nonequilibrium thermodynamics and information theory: basic concepts and relaxing dynamics

    Science.gov (United States)

    Altaner, Bernhard

    2017-11-01

    Thermodynamics is based on the notions of energy and entropy. While energy is the elementary quantity governing physical dynamics, entropy is the fundamental concept in information theory. In this work, starting from first principles, we give a detailed didactic account on the relations between energy and entropy and thus physics and information theory. We show that thermodynamic process inequalities, like the second law, are equivalent to the requirement that an effective description for physical dynamics is strongly relaxing. From the perspective of information theory, strongly relaxing dynamics govern the irreversible convergence of a statistical ensemble towards the maximally non-commital probability distribution that is compatible with thermodynamic equilibrium parameters. In particular, Markov processes that converge to a thermodynamic equilibrium state are strongly relaxing. Our framework generalizes previous results to arbitrary open and driven systems, yielding novel thermodynamic bounds for idealized and real processes. , which features invited work from the best early-career researchers working within the scope of J. Phys. A. This project is part of the Journal of Physics series’ 50th anniversary celebrations in 2017. Bernhard Altaner was selected by the Editorial Board of J. Phys. A as an Emerging Talent.

  19. Dynamical renormalization group approach to relaxation in quantum field theory

    International Nuclear Information System (INIS)

    Boyanovsky, D.; Vega, H.J. de

    2003-01-01

    The real time evolution and relaxation of expectation values of quantum fields and of quantum states are computed as initial value problems by implementing the dynamical renormalization group (DRG). Linear response is invoked to set up the renormalized initial value problem to study the dynamics of the expectation value of quantum fields. The perturbative solution of the equations of motion for the field expectation values of quantum fields as well as the evolution of quantum states features secular terms, namely terms that grow in time and invalidate the perturbative expansion for late times. The DRG provides a consistent framework to resum these secular terms and yields a uniform asymptotic expansion at long times. Several relevant cases are studied in detail, including those of threshold infrared divergences which appear in gauge theories at finite temperature and lead to anomalous relaxation. In these cases the DRG is shown to provide a resummation akin to Bloch-Nordsieck but directly in real time and that goes beyond the scope of Bloch-Nordsieck and Dyson resummations. The nature of the resummation program is discussed in several examples. The DRG provides a framework that is consistent, systematic, and easy to implement to study the non-equilibrium relaxational dynamics directly in real time that does not rely on the concept of quasiparticle widths

  20. Anomalous relaxation in binary mixtures: a dynamic facilitation picture

    International Nuclear Information System (INIS)

    Moreno, A J; Colmenero, J

    2007-01-01

    Recent computational investigations of polymeric and non-polymeric binary mixtures have reported anomalous relaxation features when both components exhibit very different mobilities. Anomalous relaxation is characterized by sublinear power-law behaviour for mean-squared displacements, logarithmic decay in dynamic correlators, and a striking concave-to-convex crossover in the latter by tuning the relevant control parameter, in analogy with predictions of the mode-coupling theory for state points close to higher-order transitions. We present Monte Carlo simulations on a coarse-grained model for relaxation in binary mixtures. The liquid structure is substituted by a three-dimensional array of cells. A spin variable is assigned to each cell, representing unexcited and excited local states of a mobility field. Changes in local mobility (spin flip) are permitted according to kinetic constraints determined by the mobilities of the neighbouring cells. We introduce two types of cell ('fast' and 'slow') with very different rates for spin flip. This coarse-grained model qualitatively reproduces the mentioned anomalous relaxation features observed for real binary mixtures

  1. Dynamics of merging: post-merger mixing and relaxation of an Illustris galaxy

    Science.gov (United States)

    Young, Anthony M.; Williams, Liliya L. R.; Hjorth, Jens

    2018-02-01

    During the merger of two galaxies, the resulting system undergoes violent relaxation and seeks stable equilibrium. However, the details of this evolution are not fully understood. Using Illustris simulation, we probe two physically related processes, mixing and relaxation. Though the two are driven by the same dynamics—global time-varying potential for the energy, and torques caused by asymmetries for angular momentum—we measure them differently. We define mixing as the redistribution of energy and angular momentum between particles of the two merging galaxies. We assess the degree of mixing as the difference between the shapes of their energy distributions, N(E)s, and their angular momentum distributions, N(L2)s. We find that the difference is decreasing with time, indicating mixing. To measure relaxation, we compare N(E) of the newly merged system to N(E) of a theoretical prediction for relaxed collisionless systems, DARKexp, and witness the system becoming more relaxed, in the sense that N(E) approaches DARKexp N(E). Because the dynamics driving mixing and relaxation are the same, the timescale is similar for both. We measure two sequential timescales: a rapid, 1 Gyr phase after the initial merger, during which the difference in N(E) of the two merging halos decreases by ~ 80%, followed by a slow phase, when the difference decreases by ~ 50% over ~ 8.5 Gyrs. This is a direct measurement of the relaxation timescale. Our work also draws attention to the fact that when a galaxy has reached Jeans equilibrium it may not yet have reached a fully relaxed state given by DARKexp, in that it retains information about its past history. This manifests itself most strongly in stars being centrally concentrated. We argue that it is particularly difficult for stars, and other tightly bound particles, to mix because they have less time to be influenced by the fluctuating potential, even across multiple merger events.

  2. Effect of the Magnus force on skyrmion relaxation dynamics

    Science.gov (United States)

    Brown, Barton L.; Täuber, Uwe C.; Pleimling, Michel

    2018-01-01

    We perform systematic Langevin molecular dynamics simulations of interacting skyrmions in thin films. The interplay between the Magnus force, the repulsive skyrmion-skyrmion interaction, and the thermal noise yields different regimes during nonequilibrium relaxation. In the noise-dominated regime, the Magnus force enhances the disordering effects of the thermal noise. In the Magnus-force-dominated regime, the Magnus force cooperates with the skyrmion-skyrmion interaction to yield a dynamic regime with slow decaying correlations. These two regimes are characterized by different values of the aging exponent. In general, the Magnus force accelerates the approach to the steady state.

  3. Numerical modeling of bubble dynamics in viscoelastic media with relaxation

    Science.gov (United States)

    Warnez, M. T.; Johnsen, E.

    2015-06-01

    Cavitation occurs in a variety of non-Newtonian fluids and viscoelastic materials. The large-amplitude volumetric oscillations of cavitation bubbles give rise to high temperatures and pressures at collapse, as well as induce large and rapid deformation of the surroundings. In this work, we develop a comprehensive numerical framework for spherical bubble dynamics in isotropic media obeying a wide range of viscoelastic constitutive relationships. Our numerical approach solves the compressible Keller-Miksis equation with full thermal effects (inside and outside the bubble) when coupled to a highly generalized constitutive relationship (which allows Newtonian, Kelvin-Voigt, Zener, linear Maxwell, upper-convected Maxwell, Jeffreys, Oldroyd-B, Giesekus, and Phan-Thien-Tanner models). For the latter two models, partial differential equations (PDEs) must be solved in the surrounding medium; for the remaining models, we show that the PDEs can be reduced to ordinary differential equations. To solve the general constitutive PDEs, we present a Chebyshev spectral collocation method, which is robust even for violent collapse. Combining this numerical approach with theoretical analysis, we simulate bubble dynamics in various viscoelastic media to determine the impact of relaxation time, a constitutive parameter, on the associated physics. Relaxation time is found to increase bubble growth and permit rebounds driven purely by residual stresses in the surroundings. Different regimes of oscillations occur depending on the relaxation time.

  4. Microscopic dynamics and relaxation processes in liquid hydrogen fluoride

    International Nuclear Information System (INIS)

    Angelini, R.; Giura, P.; Monaco, G.; Sette, F.; Fioretto, D.; Ruocco, G.

    2004-01-01

    Inelastic x-ray scattering and Brillouin light scattering measurements of the dynamic structure factor of liquid hydrogen fluoride have been performed in the temperature range T=214-283 K. The data, analyzed using a viscoelastic model with a two time-scale memory function, show a positive dispersion of the sound velocity c(Q) between the low frequency value c 0 (Q) and the high frequency value c ∞α (Q). This finding confirms the existence of a structural (α) relaxation directly related to the dynamical organization of the hydrogen bonds network of the system. The activation energy E a of the process has been extracted by the analysis of the temperature behavior of the relaxation time τ α (T) that follows an Arrhenius law. The obtained value for E a , when compared with that observed in another hydrogen bond liquid as water, suggests that the main parameter governing the α-relaxation process is the number of hydrogen bonds per molecule

  5. 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)

  6. Excitation dynamics and relaxation in a molecular heterodimer

    International Nuclear Information System (INIS)

    Balevičius, V.; Gelzinis, A.; Abramavicius, D.; Mančal, T.; Valkunas, L.

    2012-01-01

    Highlights: ► Dynamics of excitation within a heterogenous molecular dimer. ► Excited states can be swapped due to different reorganization energies of monomers. ► Conventional excitonic basis becomes renormalized due to interaction with the bath. ► Relaxation is independent of mutual positioning of monomeric excited states. -- Abstract: The exciton dynamics in a molecular heterodimer is studied as a function of differences in excitation and reorganization energies, asymmetry in transition dipole moments and excited state lifetimes. The heterodimer is composed of two molecules modeled as two-level systems coupled by the resonance interaction. The system-bath coupling is taken into account as a modulating factor of the molecular excitation energy gap, while the relaxation to the ground state is treated phenomenologically. Comparison of the description of the excitation dynamics modeled using either the Redfield equations (secular and full forms) or the Hierarchical quantum master equation (HQME) is demonstrated and discussed. Possible role of the dimer as an excitation quenching center in photosynthesis self-regulation is discussed. It is concluded that the system-bath interaction rather than the excitonic effect determines the excitation quenching ability of such a dimer.

  7. Non-linear calculation of PCRV using dynamic relaxation

    International Nuclear Information System (INIS)

    Schnellenbach, G.

    1979-01-01

    A brief review is presented of a numerical method called the dynamic relaxation method for stress analysis of the concrete in prestressed concrete pressure vessels. By this method the three-dimensional elliptic differential equations of the continuum are changed into the four-dimensional hyperbolic differential equations known as wave equations. The boundary value problem of the static system is changed into an initial and boundary value problem for which a solution exists if the physical system is defined at time t=0. The effect of non-linear stress-strain behaviour of the material as well as creep and cracking are considered

  8. 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.

  9. Violent Relaxation, Dynamical Instabilities and the Formation of Elliptical Galaxies

    Science.gov (United States)

    Aguilar, L. A.

    1990-11-01

    RESUMEN: El problema de la formaci6n de galaxias elfpticas por medjo de colapso gravitacional sin disipaci6n de energfa es estudiado usando un gran numero de simulaciones numericas. Se muestra que este tipo de colapsos, partiendo de condiciones iniciales frfas donde la energfa cinetica inicial representa s6lo un 5%, 0 , de a potencial inicial, produce sistemas relajados de forma triaxial muy similares a las galaxias elfpticas reales en sus formas y perfiles de densidad en proyecci6i . La forina triaxial resulta de la acci6n de una inestabilidad dinamica que aparece en sistemas 'inicos dominados por movimientos radiales, mientras que el perfil de densidad final Cs debido al llamado relajamiento violento que tiende a producir una distribuci6n en espacio fase unica. Estos dos fen6menos tienden a borrar los detalles particulares sobre las condiciones iniciales y dan lugar a una evoluci6n convergente hacia sistemas realistas, esto innecesario el uso de condiciones iniciales especiales (excepto por Ia condici6i de que estas deben ser frfas). Las condiciones iniciales frfas producen los movimientos radiales y fluctuaciones de la energfa potencial requeridos por ambos fen6menos. ABSTRACT: The problem of formation of elliptical galaxies via dissipationless collapse is studied using a large set of numerical simulations. It is shown that dissipationless collapses from cold initial conditions, where the total initial kinetic energy is less than 5% ofthe initial potential energy, lead to relaxed triaxial systems ery similar to real elliptical galaxies ii projected shape and density profiles. The triaxial shape is due to the of a dynamical instability that appears on systems dominated by radial orbits, while final density profile is due to violent relaxation that tends to produce a unique distribution iii space. These two phenomena erase memory of the initial prodtice a convergent evolution toward realistic systems, thus making unnecessary use o[special initial conditions (other

  10. Stellar dynamics around a massive black hole - II. Resonant relaxation

    Science.gov (United States)

    Sridhar, S.; Touma, Jihad R.

    2016-06-01

    We present a first-principles theory of resonant relaxation (RR) of a low-mass stellar system orbiting a more massive black hole (MBH). We first extend the kinetic theory of Gilbert to include the Keplerian field of a black hole of mass M•. Specializing to a Keplerian stellar system of mass M ≪ M•, we use the orbit-averaging method of Sridhar & Touma to derive a kinetic equation for RR. This describes the collisional evolution of a system of N ≫ 1 Gaussian rings in a reduced 5-dim space, under the combined actions of self-gravity, 1 post-Newtonian (PN) and 1.5 PN relativistic effects of the MBH and an arbitrary external potential. In general geometries, RR is driven by both apsidal and nodal resonances, so the distinction between scalar RR and vector RR disappears. The system passes through a sequence of quasi-steady secular collisionless equilibria, driven by irreversible two-ring correlations that accrue through gravitational interactions, both direct and collective. This correlation function is related to a `wake function', which is the linear response of the system to the perturbation of a chosen ring. The wake function is easier to appreciate, and satisfies a simpler equation, than the correlation function. We discuss general implications for the interplay of secular dynamics and non-equilibrium statistical mechanics in the evolution of Keplerian stellar systems towards secular thermodynamic equilibria, and set the stage for applications to the RR of axisymmetric discs in Paper III.

  11. Advances in dynamic relaxation techniques for nonlinear finite element analysis

    International Nuclear Information System (INIS)

    Sauve, R.G.; Metzger, D.R.

    1995-01-01

    Traditionally, the finite element technique has been applied to static and steady-state problems using implicit methods. When nonlinearities exist, equilibrium iterations must be performed using Newton-Raphson or quasi-Newton techniques at each load level. In the presence of complex geometry, nonlinear material behavior, and large relative sliding of material interfaces, solutions using implicit methods often become intractable. A dynamic relaxation algorithm is developed for inclusion in finite element codes. The explicit nature of the method avoids large computer memory requirements and makes possible the solution of large-scale problems. The method described approaches the steady-state solution with no overshoot, a problem which has plagued researchers in the past. The method is included in a general nonlinear finite element code. A description of the method along with a number of new applications involving geometric and material nonlinearities are presented. They include: (1) nonlinear geometric cantilever plate; (2) moment-loaded nonlinear beam; and (3) creep of nuclear fuel channel assemblies

  12. Electronic excited states and relaxation dynamics in polymer heterojunction systems

    Science.gov (United States)

    Ramon, John Glenn Santos

    The potential for using conducting polymers as the active material in optoelectronic devices has come to fruition in the past few years. Understanding the fundamental photophysics behind their operations points to the significant role played by the polymer interface in their performance. Current device architectures involve the use of bulk heterojunctions which intimately blend the donor and acceptor polymers to significantly increase not only their interfacial surface area but also the probability of exciton formation within the vicinity of the interface. In this dissertation, we detail the role played by the interface on the behavior and performance of bulk heterojunction systems. First, we explore the relation between the exciton binding energy to the band offset in determining device characteristics. As a general rule, when the exciton binding energy is greater than the band offset, the exciton remains the lowest energy excited state leading to efficient light-emitting properties. On the other hand, if the offset is greater than the binding energy, charge separation becomes favorable leading to better photovoltaic behavior. Here, we use a Wannier function, configuration interaction based approach to examine the essential excited states and predict the vibronic absorption and emission spectra of the PPV/BBL, TFB/F8BT and PFB/F8BT heterojunctions. Our results underscore the role of vibrational relaxation in the formation of charge-transfer states following photoexcitation. In addition, we look at the relaxation dynamics that occur upon photoexcitation. For this, we adopt the Marcus-Hush semiclassical method to account for lattice reorganization in the calculation of the interconversion rates in TFB/F8BT and PFB/F8BT. We find that, while a tightly bound charge-transfer state (exciplex) remains the lowest excited state, a regeneration pathway to the optically active lowest excitonic state in TFB/F8BT is possible via thermal repopulation from the exciplex. Finally

  13. Relaxation Dynamics of a Granular Pile on a Vertically Vibrating Plate

    Science.gov (United States)

    Tsuji, Daisuke; Otsuki, Michio; Katsuragi, Hiroaki

    2018-03-01

    Nonlinear relaxation dynamics of a vertically vibrated granular pile is experimentally studied. In the experiment, the flux and slope on the relaxing pile are measured by using a high-speed laser profiler. The relation of these quantities can be modeled by the nonlinear transport law assuming the uniform vibrofluidization of an entire pile. The fitting parameter in this model is only the relaxation efficiency, which characterizes the energy conversion rate from vertical vibration into horizontal transport. We demonstrate that this value is a constant independent of experimental conditions. The actual relaxation is successfully reproduced by the continuity equation with the proposed model. Finally, its specific applicability toward an astrophysical phenomenon is shown.

  14. Effect of high pressure on the relaxation dynamics of glass-forming liquids

    Energy Technology Data Exchange (ETDEWEB)

    Paluch, M; Grzybowska, K; Grzybowski, A [Institute of Physics, Silesian University, ulica Uniwersytecka 4, 40-007 Katowice (Poland)

    2007-05-23

    A glass is usually formed by cooling a liquid at a rate sufficient to avoid crystallization. In the vicinity of the glass transition the structural relaxation time increases with lowering temperature in a non-Arrhenius fashion and the structural relaxation function reveals a non-Debye behaviour. However, liquid can be also vitrified by keeping it at a constant temperature and increasing the pressure. This pressure-induced transition to the glassy state is also accompanied by dramatic changes in the relaxation dynamics. Herein we discuss the behaviour of the structural relaxation times of glass-forming liquids and polymer melts under high pressure.

  15. Effect of high pressure on the relaxation dynamics of glass-forming liquids

    International Nuclear Information System (INIS)

    Paluch, M; Grzybowska, K; Grzybowski, A

    2007-01-01

    A glass is usually formed by cooling a liquid at a rate sufficient to avoid crystallization. In the vicinity of the glass transition the structural relaxation time increases with lowering temperature in a non-Arrhenius fashion and the structural relaxation function reveals a non-Debye behaviour. However, liquid can be also vitrified by keeping it at a constant temperature and increasing the pressure. This pressure-induced transition to the glassy state is also accompanied by dramatic changes in the relaxation dynamics. Herein we discuss the behaviour of the structural relaxation times of glass-forming liquids and polymer melts under high pressure

  16. Relaxations and fast dynamics of the plastic crystal cyclo-octanol investigated by broadband dielectric spectroscopy

    OpenAIRE

    Lunkenheimer, Peter

    1997-01-01

    Relaxations and fast dynamics of the plastic crystal cyclo-octanol investigated by broadband dielectric spectroscopy / R. Brand, P. Lunkenheimer, A. Loidl. - In: Physical review. B. 56. 1997. S. R5713-R5716

  17. Revealing the Link between Structural Relaxation and Dynamic Heterogeneity in Glass-Forming Liquids.

    Science.gov (United States)

    Wang, Lijin; Xu, Ning; Wang, W H; Guan, Pengfei

    2018-03-23

    Despite the use of glasses for thousands of years, the nature of the glass transition is still mysterious. On approaching the glass transition, the growth of dynamic heterogeneity has long been thought to play a key role in explaining the abrupt slowdown of structural relaxation. However, it still remains elusive whether there is an underlying link between structural relaxation and dynamic heterogeneity. Here, we unravel the link by introducing a characteristic time scale hiding behind an identical dynamic heterogeneity for various model glass-forming liquids. We find that the time scale corresponds to the kinetic fragility of liquids. Moreover, it leads to scaling collapse of both the structural relaxation time and dynamic heterogeneity for all liquids studied, together with a characteristic temperature associated with the same dynamic heterogeneity. Our findings imply that studying the glass transition from the viewpoint of dynamic heterogeneity is more informative than expected.

  18. Revealing the Link between Structural Relaxation and Dynamic Heterogeneity in Glass-Forming Liquids

    Science.gov (United States)

    Wang, Lijin; Xu, Ning; Wang, W. H.; Guan, Pengfei

    2018-03-01

    Despite the use of glasses for thousands of years, the nature of the glass transition is still mysterious. On approaching the glass transition, the growth of dynamic heterogeneity has long been thought to play a key role in explaining the abrupt slowdown of structural relaxation. However, it still remains elusive whether there is an underlying link between structural relaxation and dynamic heterogeneity. Here, we unravel the link by introducing a characteristic time scale hiding behind an identical dynamic heterogeneity for various model glass-forming liquids. We find that the time scale corresponds to the kinetic fragility of liquids. Moreover, it leads to scaling collapse of both the structural relaxation time and dynamic heterogeneity for all liquids studied, together with a characteristic temperature associated with the same dynamic heterogeneity. Our findings imply that studying the glass transition from the viewpoint of dynamic heterogeneity is more informative than expected.

  19. Glass transition and relaxation dynamics of propylene glycol-water solutions confined in clay

    Science.gov (United States)

    Elamin, Khalid; Björklund, Jimmy; Nyhlén, Fredrik; Yttergren, Madeleine; Mârtensson, Lena; Swenson, Jan

    2014-07-01

    The molecular dynamics of aqueous solutions of propylene glycol (PG) and propylene glycol methylether (PGME) confined in a two-dimensional layer-structured Na-vermiculite clay has been studied by broadband dielectric spectroscopy and differential scanning calorimetry. As typical for liquids in confined geometries the intensity of the cooperative α-relaxation becomes considerably more suppressed than the more local β-like relaxation processes. In fact, at high water contents the calorimetric glass transition and related structural α-relaxation cannot even be observed, due to the confinement. Thus, the intensity of the viscosity related α-relaxation is dramatically reduced, but its time scale as well as the related glass transition temperature Tg are for both systems only weakly influenced by the confinement. In the case of the PGME-water solutions it is an important finding since in the corresponding bulk system a pronounced non-monotonic concentration dependence of the glass transition related dynamics has been observed due to the growth of hydrogen bonded relaxing entities of water bridging between PGME molecules [J. Sjöström, J. Mattsson, R. Bergman, and J. Swenson, Phys. Chem. B 115, 10013 (2011)]. The present results suggest that the same type of structural entities are formed in the quasi-two-dimensional space between the clay platelets. It is also observed that the main water relaxation cannot be distinguished from the β-relaxation of PG or PGME in the concentration range up to intermediate water contents. This suggests that these two processes are coupled and that the water molecules affect the time scale of the β-relaxation. However, this is most likely true also for the corresponding bulk solutions, which exhibit similar time scales of this combined relaxation process below Tg. Finally, it is found that at higher water contents the water relaxation does not merge with, or follow, the α-relaxation above Tg, but instead crosses the α-relaxation

  20. Dynamic Event Tree Analysis Through RAVEN

    Energy Technology Data Exchange (ETDEWEB)

    A. Alfonsi; C. Rabiti; D. Mandelli; J. Cogliati; R. A. Kinoshita; A. Naviglio

    2013-09-01

    Conventional Event-Tree (ET) based methodologies are extensively used as tools to perform reliability and safety assessment of complex and critical engineering systems. One of the disadvantages of these methods is that timing/sequencing of events and system dynamics is not explicitly accounted for in the analysis. In order to overcome these limitations several techniques, also know as Dynamic Probabilistic Risk Assessment (D-PRA), have been developed. Monte-Carlo (MC) and Dynamic Event Tree (DET) are two of the most widely used D-PRA methodologies to perform safety assessment of Nuclear Power Plants (NPP). In the past two years, the Idaho National Laboratory (INL) has developed its own tool to perform Dynamic PRA: RAVEN (Reactor Analysis and Virtual control ENvironment). RAVEN has been designed in a high modular and pluggable way in order to enable easy integration of different programming languages (i.e., C++, Python) and coupling with other application including the ones based on the MOOSE framework, developed by INL as well. RAVEN performs two main tasks: 1) control logic driver for the new Thermo-Hydraulic code RELAP-7 and 2) post-processing tool. In the first task, RAVEN acts as a deterministic controller in which the set of control logic laws (user defined) monitors the RELAP-7 simulation and controls the activation of specific systems. Moreover, RAVEN also models stochastic events, such as components failures, and performs uncertainty quantification. Such stochastic modeling is employed by using both MC and DET algorithms. In the second task, RAVEN processes the large amount of data generated by RELAP-7 using data-mining based algorithms. This paper focuses on the first task and shows how it is possible to perform the analysis of dynamic stochastic systems using the newly developed RAVEN DET capability. As an example, the Dynamic PRA analysis, using Dynamic Event Tree, of a simplified pressurized water reactor for a Station Black-Out scenario is presented.

  1. 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.

  2. A nuclear magnetic relaxation study of hydrogen exchange and water dynamics in aqueous systems

    International Nuclear Information System (INIS)

    Lankhorst, D.

    1983-01-01

    In this thesis exchange of water protons in solutions of some weak electrolytes and polyelectrolytes is studied. Also the dynamical behaviour of water molecules in pure water is investigated. For these purposes nuclear magnetic resonance relaxation measurements, in solutions of oxygen-17 enriched water, are interpreted. The exchange rate of the water protons is derived from the contribution of 1 H- 17 O scalar coupling to the proton transverse relaxation rate. This rate is measured by the Carr-Purcell technique. (Auth.)

  3. The effect of host relaxation and dynamics on guest molecule dynamics in H2/tetrahydrofuranhydrate.

    Science.gov (United States)

    Peterson, Vanessa K; Shoko, Elvis; Kearley, Gordon J

    2011-01-01

    We use ab initio molecular dynamics simulations to obtain classically the effects of H2O cage motions on the potential-energy surface (PES) of encapsulated H2 in the H2/tetrahydrofuran-hydrate system. The significant differences between the PES for the H2 in rigid and flexible cages that we find will influence calculation of the quantum dynamics of the H2. Part of these differences arises from the relaxation of the H2O cage around the classical H2, with a second part arising from the coupling of both translational and rotational motions of H2 with the H20 cage. We find that isotopic substitution of 2H for 1H of the H2O cage affects the coupling, which has implications for experiments that require the use of 2H2O, including inelastic neutron scattering that uses 2H2O cages in order to focus on the H2 guest dynamics. Overall, this work emphasizes the importance of taking into account cage dynamics in any approach used to understand the dynamics of H2 guests in porous framework materials.

  4. Flux ropes and 3D dynamics in the relaxation scaling experiment

    International Nuclear Information System (INIS)

    Intrator, T P; Feng, Y; Weber, T E; Swan, H O; Sun, X; Dorf, L; Sears, J A

    2013-01-01

    Flux ropes form basic building blocks for magnetic dynamics in many plasmas, are macroscopic analogues of magnetic field lines, and are irreducibly three dimensional (3D). We have used the relaxation scaling experiment (RSX) to study flux ropes, and have found many new features involving 3D dynamics, kink instability driven reconnection, nonlinearly stable but kinking flux ropes, and large flows. (paper)

  5. Temperature Dependence of Logarithmic-like Relaxational Dynamics of Hydrated tRNA.

    Science.gov (United States)

    Chu, Xiang-Qiang; Mamontov, Eugene; O'Neill, Hugh; Zhang, Qiu

    2013-03-21

    The dynamics of RNA within the β-relaxation region of 10 ps to 1 ns is crucial to its biological function. Because of its simpler chemical building blocks and the lack of the side methyl groups, faster relaxational dynamics of RNA compared to proteins can be expected. However, the situation is actually opposite. In this work, the relaxational dynamics of tRNA is measured by quasielastic neutron scattering and analyzed using the mode coupling theory, originally developed for glass-forming liquids. Our results reveal that the dynamics of tRNA follows a log-decay within the β-relaxation region, which is an important trait demonstrated by the dynamics of proteins. The dynamics of hydrated tRNA and lysozyme compared in the time domain further demonstrate that the slower dynamics of tRNA relative to proteins originates from the difference in the folded states of tRNA and proteins, as well as the influence of their hydration water.

  6. Multidimensional dynamic piezoresponse measurements. Unraveling local relaxation behavior in relaxor-ferroelectrics via big data

    International Nuclear Information System (INIS)

    Vasudevan, Rama K.; Zhang, Shujun; Okatan, Mahmut Baris; Jesse, Stephen; Kalinin, Sergei V.; Bassiri-Gharb, Nazanin

    2015-01-01

    Compositional and charge disorder in ferroelectric relaxors lies at the heart of the unusual properties of these systems, such as aging and non-ergodicity, polarization rotations, and a host of temperature and field-driven phase transitions. However, much information about the field-dynamics of the polarization in the prototypical ferroelectric relaxor (1-x)Pb(Mg 1/3 Nb 2/3 )O 3-x PbTiO 3 (PMN-xPT) remains unprobed at the mesoscopic level. We use a piezoresponse force microscopy-based dynamic multimodal relaxation spectroscopy technique, enabling the study of ferroelectric switching and polarization relaxation at mesoscopic length scales, and carry out measurements on a PMN-0.28PT sample with minimal polishing. Results indicate that beyond a threshold DC bias the average relaxation increases as the system attempts to relax to the previous state. Phenomenological fitting reveals the presence of mesoscale heterogeneity in relaxation amplitudes and clearly suggests the presence of two distinct amplitudes. Independent component analysis reveals the presence of a disorder component of the relaxation, which is found to be strongly anti-correlated with the maximum piezoresponse at that location, suggesting smaller disorder effects where the polarization reversal is large and vice versa. The disorder in the relaxation amplitudes is postulated to arise from rhombohedral and field-induced tetragonal phase in the crystal, with each phase associated with its own relaxation amplitude. As a result, these studies highlight the crucial importance of the mixture of ferroelectric phases in the compositions in proximity of the morphotropic phase boundary in governing the local response and further highlight the ability of PFM voltage and time spectroscopies, in conjunction with big-data multivariate analyses, to locally map disorder and correlate it with parameters governing the dynamic behavior

  7. Mechanical Spectroscopy: Some Applications On Structural Changes And Relaxation Dynamics In Soft Matter

    Directory of Open Access Journals (Sweden)

    Wu Xuebang

    2015-09-01

    Full Text Available The general trend in soft matter is to study systems of increasing complexity covering a wide range in time and frequency. Mechanical spectroscopy is a powerful tool for understanding the structure and relaxation dynamics of these materials over a large temperature range and frequency scale. In this work, we collect a few recent applications using low-frequency mechanical spectroscopy for elucidating the structural changes and relaxation dynamics in soft matter, largely based on the author’s group. We illustrate the potential of mechanical spectroscopy with three kinds of soft materials: colloids, polymers and granular systems. Examples include structural changes in colloids, segmental relaxations in amorphous polymers, and resonant dissipation of grain chains in three-dimensional media. The present work shows that mechanical spectroscopy has been applied as a necessary and complementary tool to study the dynamics of such complex systems.

  8. Isotope effect on hydrated electron relaxation dynamics studied with time-resolved liquid jet photoelectron spectroscopy

    Science.gov (United States)

    Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

    2016-05-01

    The excited state relaxation dynamics of the solvated electron in H2O and D2O are investigated using time-resolved photoelectron spectroscopy in a liquid microjet. The data show that the initial excited state decays on a time scale of 75 ± 12 fs in H2O and 102 ± 8 fs in D2O, followed by slower relaxation on time scales of 400 ± 70 fs and 390 ± 70 fs that are isotopically invariant within the precision of our measurements. Based on the time evolution of the transient signals, the faster and slower time constants are assigned to p → s internal conversion (IC) of the hydrated electron and relaxation on the ground electronic state, respectively. This assignment is consistent with the non-adiabatic mechanism for relaxation of the hydrated electron and yields an isotope effect of 1.4 ± 0.2 for IC of the hydrated electron.

  9. Markov state modeling and dynamical coarse-graining via discrete relaxation path sampling.

    Science.gov (United States)

    Fačkovec, B; Vanden-Eijnden, E; Wales, D J

    2015-07-28

    A method is derived to coarse-grain the dynamics of complex molecular systems to a Markov jump process (MJP) describing how the system jumps between cells that fully partition its state space. The main inputs are relaxation times for each pair of cells, which are shown to be robust with respect to positioning of the cell boundaries. These relaxation times can be calculated via molecular dynamics simulations performed in each cell separately and are used in an efficient estimator for the rate matrix of the MJP. The method is illustrated through applications to Sinai billiards and a cluster of Lennard-Jones discs.

  10. Relaxation dynamics of a quantum emitter resonantly coupled to a metal nanoparticle

    DEFF Research Database (Denmark)

    Nerkararyan, K. V.; Bozhevolnyi, S. I.

    2014-01-01

    consequence of this relaxation process is that the emission, being largely determined by the MNP, comes out with a substantial delay. A large number of system parameters in our analytical description opens new possibilities for controlling quantum emitter dynamics. (C) 2014 Optical Society of America......The presence of a metal nanoparticle (MNP) near a quantum dipole emitter, when a localized surface plasmon mode is excited via the resonant coupling with an excited quantum dipole, dramatically changes the relaxation dynamics: an exponential decay changes to step-like behavior. The main physical...

  11. Novel spin dynamics in ferrimagnetic molecular chains from 1H NMR and μSR spin-lattice relaxation measurements

    International Nuclear Information System (INIS)

    Micotti, E.; Lascialfari, A.; Rigamonti, A.; Aldrovandi, S.; Caneschi, A.; Gatteschi, D.; Bogani, L.

    2004-01-01

    The spin dynamics in the helical chain Co(hfac) 2 NITPhOMe has been investigated by 1 H NMR and μSR relaxation. In the temperature range 15< T<60 K, the results are consistent with the relaxation of the homogeneous magnetization. For T≤15 K, NMR and μSR evidence a second spin relaxation mechanism, undetected by the magnetization measurements. From the analysis of these data, insights on this novel relaxation process are derived

  12. Novel spin dynamics in ferrimagnetic molecular chains from 1H NMR and μSR spin-lattice relaxation measurements

    Science.gov (United States)

    Micotti, E.; Lascialfari, A.; Rigamonti, A.; Aldrovandi, S.; Caneschi, A.; Gatteschi, D.; Bogani, L.

    2004-05-01

    The spin dynamics in the helical chain Co(hfac) 2NITPhOMe has been investigated by 1H NMR and μSR relaxation. In the temperature range 15relaxation of the homogeneous magnetization. For T⩽15 K, NMR and μSR evidence a second spin relaxation mechanism, undetected by the magnetization measurements. From the analysis of these data, insights on this novel relaxation process are derived.

  13. Fluorescence relaxation spectroscopy : light on dynamical structures of flavoproteins

    NARCIS (Netherlands)

    Burten - Bastiaens, P.I.H.

    1992-01-01

    Refinements in technique and data analysis have opened new avenues for a detailed interpretation of protein fluorescence. What is more, by combining new insights in protein structure and dynamics with improved knowledge of photophysics of biological chromophores, the coupling between

  14. Heteronuclear Adiabatic Relaxation Dispersion (HARD) for quantitative analysis of conformational dynamics in proteins.

    Science.gov (United States)

    Traaseth, Nathaniel J; Chao, Fa-An; Masterson, Larry R; Mangia, Silvia; Garwood, Michael; Michaeli, Shalom; Seelig, Burckhard; Veglia, Gianluigi

    2012-06-01

    NMR relaxation methods probe biomolecular motions over a wide range of timescales. In particular, the rotating frame spin-lock R(1ρ) and Carr-Purcell-Meiboom-Gill (CPMG) R(2) experiments are commonly used to characterize μs to ms dynamics, which play a critical role in enzyme folding and catalysis. In an effort to complement these approaches, we introduced the Heteronuclear Adiabatic Relaxation Dispersion (HARD) method, where dispersion in rotating frame relaxation rate constants (longitudinal R(1ρ) and transverse R(2ρ)) is created by modulating the shape and duration of adiabatic full passage (AFP) pulses. Previously, we showed the ability of the HARD method to detect chemical exchange dynamics in the fast exchange regime (k(ex)∼10(4)-10(5) s(-1)). In this article, we show the sensitivity of the HARD method to slower exchange processes by measuring R(1ρ) and R(2ρ) relaxation rates for two soluble proteins (ubiquitin and 10C RNA ligase). One advantage of the HARD method is its nominal dependence on the applied radio frequency field, which can be leveraged to modulate the dispersion in the relaxation rate constants. In addition, we also include product operator simulations to define the dynamic range of adiabatic R(1ρ) and R(2ρ) that is valid under all exchange regimes. We conclude from both experimental observations and simulations that this method is complementary to CPMG-based and rotating frame spin-lock R(1ρ) experiments to probe conformational exchange dynamics for biomolecules. Finally, this approach is germane to several NMR-active nuclei, where relaxation rates are frequency-offset independent. Copyright © 2012 Elsevier Inc. All rights reserved.

  15. A study of internal energy relaxation in shocks using molecular dynamics based models

    International Nuclear Information System (INIS)

    Li, Zheng; Parsons, Neal; Levin, Deborah A.

    2015-01-01

    Recent potential energy surfaces (PESs) for the N 2 + N and N 2 + N 2 systems are used in molecular dynamics (MD) to simulate rates of vibrational and rotational relaxations for conditions that occur in hypersonic flows. For both chemical systems, it is found that the rotational relaxation number increases with the translational temperature and decreases as the rotational temperature approaches the translational temperature. The vibrational relaxation number is observed to decrease with translational temperature and approaches the rotational relaxation number in the high temperature region. The rotational and vibrational relaxation numbers are generally larger in the N 2 + N 2 system. MD-quasi-classical trajectory (QCT) with the PESs is also used to calculate the V-T transition cross sections, the collision cross section, and the dissociation cross section for each collision pair. Direct simulation Monte Carlo (DSMC) results for hypersonic flow over a blunt body with the total collision cross section from MD/QCT simulations, Larsen-Borgnakke with new relaxation numbers, and the N 2 dissociation rate from MD/QCT show a profile with a decreased translational temperature and a rotational temperature close to vibrational temperature. The results demonstrate that many of the physical models employed in DSMC should be revised as fundamental potential energy surfaces suitable for high temperature conditions become available

  16. The dynamic relaxation method in the structural analysis of concrete pressure vessels

    International Nuclear Information System (INIS)

    Davidson, I.; Assis Bastos, M.R. de; Camargo, P.B. de.

    1977-01-01

    The dynamic relaxation method, applied to 3 dimensional concrete structures, especially pressure vessels, is demonstrated. It utilizes the finite difference method and allows the growth of cracks to be followed up to the point of vessel rupture. A FORTRAN IV program is developed, which can also be utilized, with the necessary modifications, for other structure calculations [pt

  17. Carrier relaxation dynamics in InAs/InGaAlAs quantum dashes

    KAUST Repository

    Ryasnyanskiy, A.I.; Biaggio, I.; Djie, Hery Susanto; Ooi, Boon S.; Tan, C.L.

    2011-01-01

    We characterize size-dependent carrier relaxation dynamics of partial laser structures containing quantum dashes by time-resolved degenerate four wave mixing between 1.2 and 1.6 ?m. © 2010 Elsevier B.V. All rights reserved.

  18. Carrier relaxation dynamics in InAs/InGaAlAs quantum dashes

    KAUST Repository

    Ryasnyanskiy, A.I.

    2011-03-01

    We characterize size-dependent carrier relaxation dynamics of partial laser structures containing quantum dashes by time-resolved degenerate four wave mixing between 1.2 and 1.6 ?m. © 2010 Elsevier B.V. All rights reserved.

  19. Dynamics of Exciton Relaxation in LH2 Antenna Probed by Multipulse Nonlinear Spectroscopy

    NARCIS (Netherlands)

    Novoderezhkin, V.I.; Cohen Stuart, T.A.; van Grondelle, R.

    2011-01-01

    We explain the relaxation dynamics in the LH2-B850 antenna as revealed by multipulse pump - dump - probe spectroscopy (Th. A. Cohen StuartM. VengrisV. I. NovoderezhkinR. J. CogdellC. N. HunterR. van Grondelle, submitted). The theory of pump - dump - probe response is evaluated using the doorway -

  20. Hierarchical relaxation dynamics in a tilted two-band Bose-Hubbard model

    Science.gov (United States)

    Cosme, Jayson G.

    2018-04-01

    We numerically examine slow and hierarchical relaxation dynamics of interacting bosons described by a tilted two-band Bose-Hubbard model. The system is found to exhibit signatures of quantum chaos within the spectrum and the validity of the eigenstate thermalization hypothesis for relevant physical observables is demonstrated for certain parameter regimes. Using the truncated Wigner representation in the semiclassical limit of the system, dynamics of relevant observables reveal hierarchical relaxation and the appearance of prethermalized states is studied from the perspective of statistics of the underlying mean-field trajectories. The observed prethermalization scenario can be attributed to different stages of glassy dynamics in the mode-time configuration space due to dynamical phase transition between ergodic and nonergodic trajectories.

  1. Relaxation Estimation of RMSD in Molecular Dynamics Immunosimulations

    Directory of Open Access Journals (Sweden)

    Wolfgang Schreiner

    2012-01-01

    Full Text Available Molecular dynamics simulations have to be sufficiently long to draw reliable conclusions. However, no method exists to prove that a simulation has converged. We suggest the method of “lagged RMSD-analysis” as a tool to judge if an MD simulation has not yet run long enough. The analysis is based on RMSD values between pairs of configurations separated by variable time intervals Δt. Unless RMSD(Δt has reached a stationary shape, the simulation has not yet converged.

  2. Dynamics of relaxation to a stationary state for interacting molecular motors

    Science.gov (United States)

    Gomes, Luiza V. F.; Kolomeisky, Anatoly B.

    2018-01-01

    Motor proteins are active enzymatic molecules that drive a variety of biological processes, including transfer of genetic information, cellular transport, cell motility and muscle contraction. It is known that these biological molecular motors usually perform their cellular tasks by acting collectively, and there are interactions between individual motors that specify the overall collective behavior. One of the fundamental issues related to the collective dynamics of motor proteins is the question if they function at stationary-state conditions. To investigate this problem, we analyze a relaxation to the stationary state for the system of interacting molecular motors. Our approach utilizes a recently developed theoretical framework, which views the collective dynamics of motor proteins as a totally asymmetric simple exclusion process of interacting particles, where interactions are taken into account via a thermodynamically consistent approach. The dynamics of relaxation to the stationary state is analyzed using a domain-wall method that relies on a mean-field description, which takes into account some correlations. It is found that the system quickly relaxes for repulsive interactions, while attractive interactions always slow down reaching the stationary state. It is also predicted that for some range of parameters the fastest relaxation might be achieved for a weak repulsive interaction. Our theoretical predictions are tested with Monte Carlo computer simulations. The implications of our findings for biological systems are briefly discussed.

  3. Constructing Dynamic Event Trees from Markov Models

    International Nuclear Information System (INIS)

    Paolo Bucci; Jason Kirschenbaum; Tunc Aldemir; Curtis Smith; Ted Wood

    2006-01-01

    In the probabilistic risk assessment (PRA) of process plants, Markov models can be used to model accurately the complex dynamic interactions between plant physical process variables (e.g., temperature, pressure, etc.) and the instrumentation and control system that monitors and manages the process. One limitation of this approach that has prevented its use in nuclear power plant PRAs is the difficulty of integrating the results of a Markov analysis into an existing PRA. In this paper, we explore a new approach to the generation of failure scenarios and their compilation into dynamic event trees from a Markov model of the system. These event trees can be integrated into an existing PRA using software tools such as SAPHIRE. To implement our approach, we first construct a discrete-time Markov chain modeling the system of interest by: (a) partitioning the process variable state space into magnitude intervals (cells), (b) using analytical equations or a system simulator to determine the transition probabilities between the cells through the cell-to-cell mapping technique, and, (c) using given failure/repair data for all the components of interest. The Markov transition matrix thus generated can be thought of as a process model describing the stochastic dynamic behavior of the finite-state system. We can therefore search the state space starting from a set of initial states to explore all possible paths to failure (scenarios) with associated probabilities. We can also construct event trees of arbitrary depth by tracing paths from a chosen initiating event and recording the following events while keeping track of the probabilities associated with each branch in the tree. As an example of our approach, we use the simple level control system often used as benchmark in the literature with one process variable (liquid level in a tank), and three control units: a drain unit and two supply units. Each unit includes a separate level sensor to observe the liquid level in the tank

  4. The Influence of the Relaxation Time on the Dynamic Hysteresis in Perovskite Solar Cells

    Directory of Open Access Journals (Sweden)

    Palici Alexandra

    2018-01-01

    Full Text Available We investigate the dynamic behavior of perovskite solar cells by focusing on the relaxation time τ, which corresponds to the slow de-polarization process from an initial bias pre-poled state. The dynamic electrical model (DEM is employed for simulating the J-V characteristics for different bias scan rates and pre-poling conditions. Depending on the sign of the initial polarization normal or inverted hysteresis may be induced. For fixed pre-poling conditions, the relaxation time, in relation to the bias scan rate, governs the magnitude of the dynamic hysteresis. In the limit of large τ the hysteretic effects are vanishing for the typical range of bias scan rates considered, while for very small τ the hysteresis is significant only when it is comparable with the measurement time interval.

  5. Exploring the dynamics about the glass transition by muon spin relaxation and muon spin rotation

    International Nuclear Information System (INIS)

    Bermejo, F J; Bustinduy, I; Cox, S F J; Lord, J S; Cabrillo, C; Gonzalez, M A

    2006-01-01

    The capability of muon spin rotation and muon spin relaxation to explore dynamics in the vicinity of the glass transition is illustrated by results pertaining to three materials exhibiting two different glass-forming abilities. Measurements under transverse magnetic fields enable us to monitor the dynamics of muonium-labelled closed-shell molecules within the microsecond range. The results display the onset of stochastic molecular motions taking place upon crossing from below the glass-transition temperature. In turn, the molecular dynamics of radicals formed by addition of atomic muonium to unsaturated organic molecules can also be explored up to far shorter times by means of relaxation measurements under longitudinal fields. The technique is then shown to be capable of singling out stochastic reorientational motions from others, which usually are strongly coupled to them and usually dominate the material response when measured using higher-frequency probes such as neutron and light scattering

  6. Stress relaxation in vanadium under shock and shockless dynamic compression

    International Nuclear Information System (INIS)

    Kanel, G. I.; Razorenov, S. V.; Garkushin, G. V.; Savinykh, A. S.; Zaretsky, E. B.

    2015-01-01

    Evolutions of elastic-plastic waves have been recorded in three series of plate impact experiments with annealed vanadium samples under conditions of shockless and combined ramp and shock dynamic compression. The shaping of incident wave profiles was realized using intermediate base plates made of different silicate glasses through which the compression waves were entered into the samples. Measurements of the free surface velocity histories revealed an apparent growth of the Hugoniot elastic limit with decreasing average rate of compression. The growth was explained by “freezing” of the elastic precursor decay in the area of interaction of the incident and reflected waves. A set of obtained data show that the current value of the Hugoniot elastic limit and plastic strain rate is rather associated with the rate of the elastic precursor decay than with the local rate of compression. The study has revealed the contributions of dislocation multiplications in elastic waves. It has been shown that independently of the compression history the material arrives at the minimum point between the elastic and plastic waves with the same density of mobile dislocations

  7. Non-equilibrium relaxation and near-arrest dynamics in colloidal suspensions

    International Nuclear Information System (INIS)

    Medina-Noyola, M; RamIrez-Gonzalez, Pedro

    2009-01-01

    In this work we propose a theory to describe the irreversible diffusive relaxation of the local concentration of a colloidal dispersion that proceeds toward its stable thermodynamic equilibrium state, but which may in the process be trapped in metastable or dynamically arrested states. The central assumption of this theory is that the irreversible relaxation of the macroscopically observed mean value n-bar(r,t) of the local concentration of colloidal particles is described by a diffusion equation involving a local mobility b*(r,t) that depends not only on the mean value n-bar(r,t) but also on the covariance σ(r,r';t)≡δn(r,t)δn(r',t)-bar of the fluctuations δn(r,t)≡n(r,t)-n-bar(r,t). This diffusion equation must hence be solved simultaneously with the relaxation equation for the covariance σ(r,r';t), and here we also derive the corresponding relaxation equation. The dependence of the local mobility b*(r,t) on the mean value and the covariance is determined by a self-consistent set of equations involving now the spatially and temporally non-local time-dependent correlation functions, which in a uniform system in equilibrium reduces to the self-consistent generalized Langevin equation (SCGLE) theory of colloid dynamics. The resulting general theory considers the possibility that these relaxation processes occur under the influence of external fields, such as gravitational forces acting in the process of sedimentation. In this paper, however, we describe a simpler application, in which the system remains spatially uniform during the irreversible relaxation process, and discuss the general features of the glass transition scenario predicted by this non-equilibrium theory.

  8. Complex dynamics of memristive circuits: Analytical results and universal slow relaxation

    Science.gov (United States)

    Caravelli, F.; Traversa, F. L.; Di Ventra, M.

    2017-02-01

    Networks with memristive elements (resistors with memory) are being explored for a variety of applications ranging from unconventional computing to models of the brain. However, analytical results that highlight the role of the graph connectivity on the memory dynamics are still few, thus limiting our understanding of these important dynamical systems. In this paper, we derive an exact matrix equation of motion that takes into account all the network constraints of a purely memristive circuit, and we employ it to derive analytical results regarding its relaxation properties. We are able to describe the memory evolution in terms of orthogonal projection operators onto the subspace of fundamental loop space of the underlying circuit. This orthogonal projection explicitly reveals the coupling between the spatial and temporal sectors of the memristive circuits and compactly describes the circuit topology. For the case of disordered graphs, we are able to explain the emergence of a power-law relaxation as a superposition of exponential relaxation times with a broad range of scales using random matrices. This power law is also universal, namely independent of the topology of the underlying graph but dependent only on the density of loops. In the case of circuits subject to alternating voltage instead, we are able to obtain an approximate solution of the dynamics, which is tested against a specific network topology. These results suggest a much richer dynamics of memristive networks than previously considered.

  9. Dynamical Networks Characterization of Space Weather Events

    Science.gov (United States)

    Orr, L.; Chapman, S. C.; Dods, J.; Gjerloev, J. W.

    2017-12-01

    Space weather can cause disturbances to satellite systems, impacting navigation technology and telecommunications; it can cause power loss and aviation disruption. A central aspect of the earth's magnetospheric response to space weather events are large scale and rapid changes in ionospheric current patterns. Space weather is highly dynamic and there are still many controversies about how the current system evolves in time. The recent SuperMAG initiative, collates ground-based vector magnetic field time series from over 200 magnetometers with 1-minute temporal resolution. In principle this combined dataset is an ideal candidate for quantification using dynamical networks. Network properties and parameters allow us to characterize the time dynamics of the full spatiotemporal pattern of the ionospheric current system. However, applying network methodologies to physical data presents new challenges. We establish whether a given pair of magnetometers are connected in the network by calculating their canonical cross correlation. The magnetometers are connected if their cross correlation exceeds a threshold. In our physical time series this threshold needs to be both station specific, as it varies with (non-linear) individual station sensitivity and location, and able to vary with season, which affects ground conductivity. Additionally, the earth rotates and therefore the ground stations move significantly on the timescales of geomagnetic disturbances. The magnetometers are non-uniformly spatially distributed. We will present new methodology which addresses these problems and in particular achieves dynamic normalization of the physical time series in order to form the network. Correlated disturbances across the magnetometers capture transient currents. Once the dynamical network has been obtained [1][2] from the full magnetometer data set it can be used to directly identify detailed inferred transient ionospheric current patterns and track their dynamics. We will show

  10. Dynamical relaxation of the CP phases in next-to-minimal supersymmetry

    International Nuclear Information System (INIS)

    Demir, D.A.

    1999-11-01

    After promoting the phases of the soft masses to dynamical fields corresponding to Goldstone bosons of spontaneously broken global symmetries in the supersymmetry breaking sector, the next-to-minimal supersymmetric model is found to solve the μ problem and the strong CP problem simultaneously with an invisible axion. The domain wall problem persists in the form of axionic domain formation. Relaxation dynamics of the physical CP-violating phases is determined only by the short-distance physics and their relaxation values are not necessarily close to the CP-conserving points. Consequently, the solution of tile supersymmetric CP problem may require heavy enough superpartners and nonminimal flavor structures, where the latter may be also relevant for avoiding the formation of axionic domain walls. (author)

  11. Low Parametric Sensitivity Realizations with relaxed L2-dynamic-range-scaling constraints

    OpenAIRE

    Hilaire , Thibault

    2009-01-01

    This paper presents a new dynamic-range scaling for the implementation of filters/controllers in state-space form. Relaxing the classical L2-scaling constraints by specific fixed-point considerations allows for a higher degree of freedom for the optimal L2-parametric sensitivity problem. However, overflows in the implementation are still prevented. The underlying constrained problem is converted into an unconstrained problem for which a solution can be provided. This leads to realizations whi...

  12. Improved dynamical scaling analysis using the kernel method for nonequilibrium relaxation.

    Science.gov (United States)

    Echinaka, Yuki; Ozeki, Yukiyasu

    2016-10-01

    The dynamical scaling analysis for the Kosterlitz-Thouless transition in the nonequilibrium relaxation method is improved by the use of Bayesian statistics and the kernel method. This allows data to be fitted to a scaling function without using any parametric model function, which makes the results more reliable and reproducible and enables automatic and faster parameter estimation. Applying this method, the bootstrap method is introduced and a numerical discrimination for the transition type is proposed.

  13. Universal divergenceless scaling between structural relaxation and caged dynamics in glass-forming systems.

    Science.gov (United States)

    Ottochian, A; De Michele, C; Leporini, D

    2009-12-14

    On approaching the glass transition, the microscopic kinetic unit spends increasing time rattling in the cage of the first neighbors, whereas its average escape time, the structural relaxation time tau(alpha), increases from a few picoseconds up to thousands of seconds. A thorough study of the correlation between tau(alpha) and the rattling amplitude, expressed by the Debye-Waller factor, was carried out. Molecular-dynamics simulations of both a model polymer system and a binary mixture were performed by varying the temperature, the density rho, the potential and the polymer length to consider the structural relaxation as well as both the rotational and the translation diffusion. The present simulations, together with MD studies on other glassformers, evidence the scaling between the structural relaxation and the caged dynamics. An analytic model of the master curve is developed in terms of two characteristic length scales a(2) (1/2) and sigma(a(2) ) (1/2), pertaining to the distance to be covered by the kinetic unit to reach a transition state. The model does not imply tau(alpha) divergences. The comparison with the experiments supports the numerical evidence over a range of relaxation times as wide as about eighteen orders of magnitude. A comparison with other scaling and correlation procedures is presented. In particular, the density scaling of the length scales a(2) (1/2), sigma(a(2) ) (1/2) proportional to rho(-1/3) is shown to be not supported by the present simulations. The study suggests that the equilibrium and the moderately supercooled states of the glassformers possess key information on the huge slowing-down of their relaxation close to the glass transition. The latter, according to the present simulations, exhibits features consistent with the Lindemann melting criterion and the free-volume model.

  14. Resonances in field-cycling NMR on molecular crystals. (reversible) Spin dynamics or (irreversible) relaxation?; Resonanzen in Field-Cycling-NMR an Molekuelkristallen. (reversible) Spindynamik oder (irreversible) Relaxation?

    Energy Technology Data Exchange (ETDEWEB)

    Tacke, Christian

    2015-07-01

    Multi spin systems with spin 1/2 nuclei and dipolar coupled quadrupolar nuclei can show so called ''quadrupolar dips''. There are two main reasons for this behavior: polarization transfer and relaxation. They look quite alike and without additional research cannot be differentiated easily in most cases. These two phenomena have quite different physical and theoretical backgrounds. For no or very slow dynamics, polarization transfer will take place, which is energy conserving inside the spin system. This effect can entirely be described using quantum mechanics on the spin system. Detailed knowledge about the crystallography is needed, because this affects the relevant hamiltonians directly. For systems with fast enough dynamics, relaxation takes over, and the energy flows from the spin system to the lattice; thus a more complex theoretical description is needed. This description has to include a dynamic model, usually in the form of a spectral density function. Both models should include detailed modelling of the complete spin system. A software library was developed to be able to model complex spin systems. It allows to simulate polarization transfer or relaxation effects. NMR measurements were performed on the protonic conductor K{sub 3}H(SO{sub 4}){sub 2}. A single crystal shows sharp quadrupolar dips at room temperature. Dynamics could be excluded using relaxation measurements and literature values. Thus, a polarization transfer analysis was used to describe those dips with good agreement. As a second system, imidazolium based molecular crystals were analyzed. The quadrupolar dips were expected to be caused by polarization transfer; this was carefully analyzed and found not to be true. A relaxation based analysis shows good agreement with the measured data in the high temperature area. It leverages a two step spectral density function, which indicates two distinct dynamic processes happening in this system.

  15. Spin dynamics of the itinerant helimagnet MnSi studied by positive muon spin relaxation

    International Nuclear Information System (INIS)

    Kadono, R.; Matsuzaki, T.; Yamazaki, T.; Kreitzman, S.R.; Brewer, J.H.

    1990-03-01

    The local magnetic fields and spin dynamics of the itinerant helimagnet MnSi(T c ≅ 29.5 K) have been studied experimentally using positive muon spin rotation/relaxation (μ + SR) methods. In the ordered phase (T c ), zero-field μSR was used to measure the hyperfine fields at the muon sites as well as the muon spin-lattice relaxation time T 1 μ . Two magnetically inequivalent interstitial μ + sites were found with hyperfine coupling constants A hf (1) = -3.94 kOe/μ B and A hf (2) = -6.94 kOe/μ B , respectively. In the paramagnetic phase (T > T c ), the muon-nuclear spin double relaxation technique was used to simultaneously but independently determine the spin-lattice relaxation time T 1 Mn of 55 Mn spins and that of positive muons (T 1 μ ) over a wide temperature range (T c 1 Mn and T 1 μ in both phases shows systematic deviations from the predictions of self-consistent renormalization (SCR) theory. (author)

  16. Isotope effect on hydrated electron relaxation dynamics studied with time-resolved liquid jet photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Elkins, Madeline H.; Williams, Holly L. [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Neumark, Daniel M., E-mail: dneumark@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2016-05-14

    The excited state relaxation dynamics of the solvated electron in H{sub 2}O and D{sub 2}O are investigated using time-resolved photoelectron spectroscopy in a liquid microjet. The data show that the initial excited state decays on a time scale of 75 ± 12 fs in H{sub 2}O and 102 ± 8 fs in D{sub 2}O, followed by slower relaxation on time scales of 400 ± 70 fs and 390 ± 70 fs that are isotopically invariant within the precision of our measurements. Based on the time evolution of the transient signals, the faster and slower time constants are assigned to p → s internal conversion (IC) of the hydrated electron and relaxation on the ground electronic state, respectively. This assignment is consistent with the non-adiabatic mechanism for relaxation of the hydrated electron and yields an isotope effect of 1.4 ± 0.2 for IC of the hydrated electron.

  17. Hydration water dynamics in biopolymers from NMR relaxation in the rotating frame.

    Science.gov (United States)

    Blicharska, Barbara; Peemoeller, Hartwig; Witek, Magdalena

    2010-12-01

    Assuming dipole-dipole interaction as the dominant relaxation mechanism of protons of water molecules adsorbed onto macromolecule (biopolymer) surfaces we have been able to model the dependences of relaxation rates on temperature and frequency. For adsorbed water molecules the correlation times are of the order of 10(-5)s, for which the dispersion region of spin-lattice relaxation rates in the rotating frame R(1)(ρ)=1/T(1)(ρ) appears over a range of easily accessible B(1) values. Measurements of T(1)(ρ) at constant temperature and different B(1) values then give the "dispersion profiles" for biopolymers. Fitting a theoretical relaxation model to these profiles allows for the estimation of correlation times. This way of obtaining the correlation time is easier and faster than approaches involving measurements of the temperature dependence of R(1)=1/T(1). The T(1)(ρ) dispersion approach, as a tool for molecular dynamics study, has been demonstrated for several hydrated biopolymer systems including crystalline cellulose, starch of different origins (potato, corn, oat, wheat), paper (modern, old) and lyophilized proteins (albumin, lysozyme). Copyright © 2010 Elsevier Inc. All rights reserved.

  18. Selective optical switching of interface-coupled relaxation dynamics in carbon nanotube-Si heterojunctions

    KAUST Repository

    Ponzoni, Stefano

    2014-10-16

    By properly tuning the photon energy of a femtosecond laser pump, we disentangle, in carbon nanotube-Si (CNT/Si) heterojunctions, the fast relaxation dynamics occurring in CNT from the slow repopulation dynamics due to hole charge transfer at the junction. In this way we are able to track the transfer of the photogenerated holes from the Si depletion layer to the CNT layer, under the action of the built-in heterojunction potential. This also clarifies that CNT play an active role in the junction and do not act only as channels for charge collection and transport.

  19. Selective optical switching of interface-coupled relaxation dynamics in carbon nanotube-Si heterojunctions

    KAUST Repository

    Ponzoni, Stefano; Galimberti, Gianluca; Sangaletti, L.; Castrucci, Paola; Del Gobbo, Silvano; Morbidoni, Maurizio; Scarselli, Manuela A.; Pagliara, Stefania

    2014-01-01

    By properly tuning the photon energy of a femtosecond laser pump, we disentangle, in carbon nanotube-Si (CNT/Si) heterojunctions, the fast relaxation dynamics occurring in CNT from the slow repopulation dynamics due to hole charge transfer at the junction. In this way we are able to track the transfer of the photogenerated holes from the Si depletion layer to the CNT layer, under the action of the built-in heterojunction potential. This also clarifies that CNT play an active role in the junction and do not act only as channels for charge collection and transport.

  20. Dynamics of a model of two delay-coupled relaxation oscillators

    Science.gov (United States)

    Ruelas, R. E.; Rand, R. H.

    2010-08-01

    This paper investigates the dynamics of a new model of two coupled relaxation oscillators. The model replaces the usual DDE (differential-delay equation) formulation with a discrete-time approach with jumps. Existence, bifurcation and stability of in-phase periodic motions is studied. Simple periodic motions, which involve exactly two jumps per period, are found to have large plateaus in parameter space. These plateaus are separated by regions of complicated dynamics, reminiscent of the Devil's Staircase. Stability of motions in the in-phase manifold are contrasted with stability of motions in the full phase space.

  1. Dynamic mesh adaptation for front evolution using discontinuous Galerkin based weighted condition number relaxation

    International Nuclear Information System (INIS)

    Greene, Patrick T.; Schofield, Samuel P.; Nourgaliev, Robert

    2017-01-01

    A new mesh smoothing method designed to cluster cells near a dynamically evolving interface is presented. The method is based on weighted condition number mesh relaxation with the weight function computed from a level set representation of the interface. The weight function is expressed as a Taylor series based discontinuous Galerkin projection, which makes the computation of the derivatives of the weight function needed during the condition number optimization process a trivial matter. For cases when a level set is not available, a fast method for generating a low-order level set from discrete cell-centered fields, such as a volume fraction or index function, is provided. Results show that the low-order level set works equally well as the actual level set for mesh smoothing. Meshes generated for a number of interface geometries are presented, including cases with multiple level sets. Lastly, dynamic cases with moving interfaces show the new method is capable of maintaining a desired resolution near the interface with an acceptable number of relaxation iterations per time step, which demonstrates the method's potential to be used as a mesh relaxer for arbitrary Lagrangian Eulerian (ALE) methods.

  2. Relaxation dynamics and thermophysical properties of vegetable oils using time-domain reflectometry.

    Science.gov (United States)

    Sonkamble, Anil A; Sonsale, Rahul P; Kanshette, Mahesh S; Kabara, Komal B; Wananje, Kunal H; Kumbharkhane, Ashok C; Sarode, Arvind V

    2017-04-01

    Dielectric relaxation studies of vegetable oils are important for insights into their hydrogen bonding and intermolecular dynamics. The dielectric relaxation and thermo physical properties of triglycerides present in some vegetable oils have been measured over the frequency range of 10 MHz to 7 GHz in the temperature region 25 to 10 °C using a time-domain reflectometry approach. The frequency and temperature dependence of dielectric constants and dielectric loss factors were determined for coconut, peanut, soya bean, sunflower, palm, and olive oils. The dielectric permittivity spectra for each of the studied vegetable oils are explained using the Debye model with their complex dielectric permittivity analyzed using the Havriliak-Negami equation. The dielectric parameters static permittivity (ε 0 ), high-frequency limiting static permittivity (ε ∞ ), average relaxation time (τ 0 ), and thermodynamic parameters such as free energy (∆F τ ), enthalpy (∆H τ ), and entropy of activation (∆S τ ) were also measured. Calculation and analysis of these thermodynamic parameters agrees with the determined dielectric parameters, giving insights into the temperature dependence of the molecular dynamics of these systems.

  3. On the relation between quasi-static and dynamic stress induced reversible structural relaxation of amorphous alloys

    International Nuclear Information System (INIS)

    Krueger, P.; Stucky, T.; Boewe, M.; Neuhaeuser, H.

    1993-01-01

    Quasi-static stress relaxation and dynamic internal friction measurements of stress induced reversible structural relaxation were performed on the amorphous alloy Fe 40 Ni 40 B 20 . The kinetics can be well described by a stretched exponential Kohlrausch-Williams-Watts quasi-static relaxation. The thermally activated part of the internal friction shows an Arrhenius temperature behaviour for a fixed vibration frequency and an inverse power frequency behaviour for a fixed temperature. The activation energies calculated from the Arrhenius equation and from the frequency shift method are significantly different. In order to explain this discrepancy the relation between the quasi-static and the dynamic descriptions of the reversible relaxation is reexamined. In particular it is shown that these two activation energies are connected by the Kohlrausch exponent of the quasi-static relaxation. (orig.)

  4. Fast evaluation of protein dynamics from deficient 15N relaxation data

    KAUST Repository

    Jaremko, Łukasz

    2018-03-28

    Simple and convenient method of protein dynamics evaluation from the insufficient experimental N relaxation data is presented basing on the ratios, products, and differences of longitudinal and transverse N relaxation rates obtained at a single magnetic field. Firstly, the proposed approach allows evaluating overall tumbling correlation time (nanosecond time scale). Next, local parameters of the model-free approach characterizing local mobility of backbone amide N–H vectors on two different time scales, S and R, can be elucidated. The generalized order parameter, S, describes motions on the time scale faster than the overall tumbling correlation time (pico- to nanoseconds), while the chemical exchange term, R, identifies processes slower than the overall tumbling correlation time (micro- to milliseconds). Advantages and disadvantages of different methods of data handling are thoroughly discussed.

  5. Fast evaluation of protein dynamics from deficient 15N relaxation data

    KAUST Repository

    Jaremko, Łukasz; Jaremko, Mariusz; Ejchart, Andrzej; Nowakowski, Michał

    2018-01-01

    Simple and convenient method of protein dynamics evaluation from the insufficient experimental N relaxation data is presented basing on the ratios, products, and differences of longitudinal and transverse N relaxation rates obtained at a single magnetic field. Firstly, the proposed approach allows evaluating overall tumbling correlation time (nanosecond time scale). Next, local parameters of the model-free approach characterizing local mobility of backbone amide N–H vectors on two different time scales, S and R, can be elucidated. The generalized order parameter, S, describes motions on the time scale faster than the overall tumbling correlation time (pico- to nanoseconds), while the chemical exchange term, R, identifies processes slower than the overall tumbling correlation time (micro- to milliseconds). Advantages and disadvantages of different methods of data handling are thoroughly discussed.

  6. Dielectric relaxation study of the dynamics of monosaccharides: D-ribose and 2-deoxy-D-ribose

    Energy Technology Data Exchange (ETDEWEB)

    Kaminski, K; Kaminska, E; Wlodarczyk, P; Paluch, M; Ziolo, J [Institute of Physics, Silesian University, ulica Uniwersytecka 4, 40-007 Katowice (Poland); Ngai, K L [Naval Research Laboratory, Washington, DC 20375-5320 (United States)

    2008-08-20

    The dielectric loss spectra of two closely related monosaccharides, D-ribose and 2-deoxy-D-ribose, measured at ambient and elevated pressures are presented. 2-deoxy-D-ribose and D-ribose are respectively the building blocks of the backbone chains in the nucleic acids DNA (deoxyribonucleic acid) and RNA (ribonucleic acid). Small differences in the structure between D-ribose and 2-deoxy-D-ribose result in changes of the glass transition temperature T{sub g}, as well as the dielectric strength and activation enthalpy of the secondary relaxations. However, the frequency dispersion of the structural {alpha}-relaxation for the same relaxation time remains practically the same. Two secondary relaxations are present in both sugars. The slower secondary relaxation shifts to lower frequencies with increasing applied pressure, but not the faster one. This pressure dependence indicates that the slower secondary relaxation is the important and 'universal' Johari-Goldstein {beta}-relaxation of both sugars according to one of the criteria set up to classify secondary relaxations. Additional confirmation of this conclusion comes from good agreement of the observed relaxation time of the slower secondary relaxation with the primitive relaxation time calculated from the coupling model. All the dynamic properties of D-ribose and 2-deoxy-D-ribose are similar to the other monosaccharides, glucose, fructose, galactose and sorbose, except for the much larger relaxation strength of the {alpha}-relaxation of the former compared to the latter. The difference may distinguish the chemical and biological functions of D-ribose and 2-deoxy-D-ribose from the other monosaccharides.

  7. Local spin dynamics at low temperature in the slowly relaxing molecular chain [Dy(hfac)3{NIT(C6H4OPh)}]: A μ+ spin relaxation study

    Science.gov (United States)

    Arosio, Paolo; Corti, Maurizio; Mariani, Manuel; Orsini, Francesco; Bogani, Lapo; Caneschi, Andrea; Lago, Jorge; Lascialfari, Alessandro

    2015-05-01

    The spin dynamics of the molecular magnetic chain [Dy(hfac)3{NIT(C6H4OPh)}] were investigated by means of the Muon Spin Relaxation (μ+SR) technique. This system consists of a magnetic lattice of alternating Dy(III) ions and radical spins, and exhibits single-chain-magnet behavior. The magnetic properties of [Dy(hfac)3{NIT(C6H4OPh)}] have been studied by measuring the magnetization vs. temperature at different applied magnetic fields (H = 5, 3500, and 16500 Oe) and by performing μ+SR experiments vs. temperature in zero field and in a longitudinal applied magnetic field H = 3500 Oe. The muon asymmetry P(t) was fitted by the sum of three components, two stretched-exponential decays with fast and intermediate relaxation times, and a third slow exponential decay. The temperature dependence of the spin dynamics has been determined by analyzing the muon longitudinal relaxation rate λinterm(T), associated with the intermediate relaxing component. The experimental λinterm(T) data were fitted with a corrected phenomenological Bloembergen-Purcell-Pound law by using a distribution of thermally activated correlation times, which average to τ = τ0 exp(Δ/kBT), corresponding to a distribution of energy barriers Δ. The correlation times can be associated with the spin freezing that occurs when the system condenses in the ground state.

  8. Local spin dynamics at low temperature in the slowly relaxing molecular chain [Dy(hfac)3(NIT(C6H4OPh))]: A μ+ spin relaxation study

    International Nuclear Information System (INIS)

    Arosio, Paolo; Orsini, Francesco; Corti, Maurizio; Mariani, Manuel; Bogani, Lapo; Caneschi, Andrea; Lago, Jorge; Lascialfari, Alessandro

    2015-01-01

    The spin dynamics of the molecular magnetic chain [Dy(hfac) 3 (NIT(C 6 H 4 OPh))] were investigated by means of the Muon Spin Relaxation (μ + SR) technique. This system consists of a magnetic lattice of alternating Dy(III) ions and radical spins, and exhibits single-chain-magnet behavior. The magnetic properties of [Dy(hfac) 3 (NIT(C 6 H 4 OPh))] have been studied by measuring the magnetization vs. temperature at different applied magnetic fields (H = 5, 3500, and 16500 Oe) and by performing μ + SR experiments vs. temperature in zero field and in a longitudinal applied magnetic field H = 3500 Oe. The muon asymmetry P(t) was fitted by the sum of three components, two stretched-exponential decays with fast and intermediate relaxation times, and a third slow exponential decay. The temperature dependence of the spin dynamics has been determined by analyzing the muon longitudinal relaxation rate λ interm (T), associated with the intermediate relaxing component. The experimental λ interm (T) data were fitted with a corrected phenomenological Bloembergen-Purcell-Pound law by using a distribution of thermally activated correlation times, which average to τ = τ 0 exp(Δ/k B T), corresponding to a distribution of energy barriers Δ. The correlation times can be associated with the spin freezing that occurs when the system condenses in the ground state

  9. Relaxation dynamics in quantum dissipative systems: The microscopic effect of intramolecular vibrational energy redistribution

    Energy Technology Data Exchange (ETDEWEB)

    Uranga-Piña, L. [Facultad de Física, Universidad de la Habana, San Lázaro y L, Vedado, 10400 Havana (Cuba); Institute for Chemistry and Biochemistry, Freie Universität Berlin, Takustr. 3, D-14195 Berlin (Germany); Tremblay, J. C., E-mail: jean.c.tremblay@gmail.com [Institute for Chemistry and Biochemistry, Freie Universität Berlin, Takustr. 3, D-14195 Berlin (Germany)

    2014-08-21

    We investigate the effect of inter-mode coupling on the vibrational relaxation dynamics of molecules in weak dissipative environments. The simulations are performed within the reduced density matrix formalism in the Markovian regime, assuming a Lindblad form for the system-bath interaction. The prototypical two-dimensional model system representing two CO molecules approaching a Cu(100) surface is adapted from an ab initio potential, while the diatom-diatom vibrational coupling strength is systematically varied. In the weak system-bath coupling limit and at low temperatures, only first order non-adiabatic uni-modal coupling terms contribute to surface-mediated vibrational relaxation. Since dissipative dynamics is non-unitary, the choice of representation will affect the evolution of the reduced density matrix. Two alternative representations for computing the relaxation rates and the associated operators are thus compared: the fully coupled spectral basis, and a factorizable ansatz. The former is well-established and serves as a benchmark for the solution of Liouville-von Neumann equation. In the latter, a contracted grid basis of potential-optimized discrete variable representation is tailored to incorporate most of the inter-mode coupling, while the Lindblad operators are represented as tensor products of one-dimensional operators, for consistency. This procedure results in a marked reduction of the grid size and in a much more advantageous scaling of the computational cost with respect to the increase of the dimensionality of the system. The factorizable method is found to provide an accurate description of the dissipative quantum dynamics of the model system, specifically of the time evolution of the state populations and of the probability density distribution of the molecular wave packet. The influence of intra-molecular vibrational energy redistribution appears to be properly taken into account by the new model on the whole range of coupling strengths. It

  10. Modeling cytoskeletal flow over adhesion sites: competition between stochastic bond dynamics and intracellular relaxation

    International Nuclear Information System (INIS)

    Sabass, Benedikt; Schwarz, Ulrich S

    2010-01-01

    In migrating cells, retrograde flow of the actin cytoskeleton is related to traction at adhesion sites located at the base of the lamellipodium. The coupling between the moving cytoskeleton and the stationary adhesions is mediated by the continuous association and dissociation of molecular bonds. We introduce a simple model for the competition between the stochastic dynamics of elastic bonds at the moving interface and relaxation within the moving actin cytoskeleton represented by an internal viscous friction coefficient. Using exact stochastic simulations and an analytical mean field theory, we show that the stochastic bond dynamics lead to biphasic friction laws as observed experimentally. At low internal dissipation, stochastic bond dynamics lead to a regime of irregular stick-and-slip motion. High internal dissipation effectively suppresses cooperative effects among bonds and hence stabilizes the adhesion.

  11. Dynamics of exciton relaxation in LH2 antenna probed by multipulse nonlinear spectroscopy.

    Science.gov (United States)

    Novoderezhkin, Vladimir I; Cohen Stuart, Thomas A; van Grondelle, Rienk

    2011-04-28

    We explain the relaxation dynamics in the LH2-B850 antenna as revealed by multipulse pump-dump-probe spectroscopy (Th. A. Cohen Stuart, M. Vengris, V. I. Novoderezhkin, R. J. Cogdell, C. N. Hunter, R. van Grondelle, submitted). The theory of pump-dump-probe response is evaluated using the doorway-window approach in combination with the modified Redfield theory. We demonstrate that a simultaneous fit of linear spectra, pump-probe, and pump-dump-probe kinetics can be obtained at a quantitative level using the disordered exciton model, which is essentially the same as used to model the spectral fluctuations in single LH2 complexes (Novoderezhkin, V.; Rutkauskas, D.; van Grondelle, R. Biophys. J. 2006, 90, 2890). The present studies suggest that the observed relaxation rates are strongly dependent on the realization of the disorder. A big spread of the rates (exceeding 3 orders of magnitude) is correlated with the disorder-induced changes in delocalization length and overlap of the exciton wave functions. We conclude that the bulk kinetics reflect a superposition of many pathways corresponding to different physical limits of energy transfer, varying from sub-20 fs relaxation between delocalized and highly spatially overlapping exciton states to >20 ps jumps between states localized at the opposite sides of the ring.

  12. Quantum dynamics of nuclear spins and spin relaxation in organic semiconductors

    Science.gov (United States)

    Mkhitaryan, V. V.; Dobrovitski, V. V.

    2017-06-01

    We investigate the role of the nuclear-spin quantum dynamics in hyperfine-induced spin relaxation of hopping carriers in organic semiconductors. The fast-hopping regime, when the carrier spin does not rotate much between subsequent hops, is typical for organic semiconductors possessing long spin coherence times. We consider this regime and focus on a carrier random-walk diffusion in one dimension, where the effect of the nuclear-spin dynamics is expected to be the strongest. Exact numerical simulations of spin systems with up to 25 nuclear spins are performed using the Suzuki-Trotter decomposition of the evolution operator. Larger nuclear-spin systems are modeled utilizing the spin-coherent state P -representation approach developed earlier. We find that the nuclear-spin dynamics strongly influences the carrier spin relaxation at long times. If the random walk is restricted to a small area, it leads to the quenching of carrier spin polarization at a nonzero value at long times. If the random walk is unrestricted, the carrier spin polarization acquires a long-time tail, decaying as 1 /√{t } . Based on the numerical results, we devise a simple formula describing the effect quantitatively.

  13. Histidine side-chain dynamics and protonation monitored by C-13 CPMG NMR relaxation dispersion

    DEFF Research Database (Denmark)

    Hass, M. A. S.; Yilmaz, A.; Christensen, Hans Erik Mølager

    2009-01-01

    the chemical shift titration experiments, and the CPMG derived exchange rates agree with those obtained previously from N-15 backbone relaxation measurements. Compared to measurements of backbone nuclei, C-13(epsilon 1) dispersion provides a more direct method to monitor interchanging protonation states...... or other kinds of conformational changes of histidine side chains or their environment. Advantages and shortcomings of using the C-13(epsilon 1) dispersion experiments in combination with chemical shift titration experiments to obtain information on exchange dynamics of the histidine side chains...

  14. Role of Orbital Dynamics in Spin Relaxation and Weak Antilocalization in Quantum Dots

    Science.gov (United States)

    Zaitsev, Oleg; Frustaglia, Diego; Richter, Klaus

    2005-01-01

    We develop a semiclassical theory for spin-dependent quantum transport to describe weak (anti)localization in quantum dots with spin-orbit coupling. This allows us to distinguish different types of spin relaxation in systems with chaotic, regular, and diffusive orbital classical dynamics. We find, in particular, that for typical Rashba spin-orbit coupling strengths, integrable ballistic systems can exhibit weak localization, while corresponding chaotic systems show weak antilocalization. We further calculate the magnetoconductance and analyze how the weak antilocalization is suppressed with decreasing quantum dot size and increasing additional in-plane magnetic field.

  15. The elastoplastic calculation of disks with the help of dynamic relaxation

    International Nuclear Information System (INIS)

    Zerna, W.; Schnellenbach, G.; Ick, U.

    1973-12-01

    The possibilities for the computation of elasticplastic properties via dynamic relaxation are shown. From the various theories of plasticity the laws of Prandtl-Reuzs for solidifying materials were chosen for in this investigation. The calculation is carried out directly without further linearizations in a single computer run. It is possible to obtain an approximate solution via a direct process involving a fictitious elastic material law. Two disks with - according to the theory of elasticity - single stress points are used as examples. (orig.) [de

  16. Dynamics in a one-dimensional ferrogel model: relaxation, pairing, shock-wave propagation.

    Science.gov (United States)

    Goh, Segun; Menzel, Andreas M; Löwen, Hartmut

    2018-05-23

    Ferrogels are smart soft materials, consisting of a polymeric network and embedded magnetic particles. Novel phenomena, such as the variation of the overall mechanical properties by external magnetic fields, emerge consequently. However, the dynamic behavior of ferrogels remains largely unveiled. In this paper, we consider a one-dimensional chain consisting of magnetic dipoles and elastic springs between them as a simple model for ferrogels. The model is evaluated by corresponding simulations. To probe the dynamics theoretically, we investigate a continuum limit of the energy governing the system and the corresponding equation of motion. We provide general classification scenarios for the dynamics, elucidating the touching/detachment dynamics of the magnetic particles along the chain. In particular, it is verified in certain cases that the long-time relaxation corresponds to solutions of shock-wave propagation, while formations of particle pairs underlie the initial stage of the dynamics. We expect that these results will provide insight into the understanding of the dynamics of more realistic models with randomness in parameters and time-dependent magnetic fields.

  17. Relaxation dynamics and coherent energy exchange in coupled vibration-cavity polaritons (Conference Presentation)

    Science.gov (United States)

    Simpkins, Blake S.; Fears, Kenan P.; Dressick, Walter J.; Dunkelberger, Adam D.; Spann, Bryan T.; Owrutsky, Jeffrey C.

    2016-09-01

    Coherent coupling between an optical transition and confined optical mode have been investigated for electronic-state transitions, however, only very recently have vibrational transitions been considered. Here, we demonstrate both static and dynamic results for vibrational bands strongly coupled to optical cavities. We experimentally and numerically describe strong coupling between a Fabry-Pérot cavity and carbonyl stretch ( 1730 cm 1) in poly-methylmethacrylate and provide evidence that the mixed-states are immune to inhomogeneous broadening. We investigate strong and weak coupling regimes through examination of cavities loaded with varying concentrations of a urethane monomer. Rabi splittings are in excellent agreement with an analytical description using no fitting parameters. Ultrafast pump-probe measurements reveal transient absorption signals over a frequency range well-separated from the vibrational band, as well as drastically modified relaxation rates. We speculate these modified kinetics are a consequence of the energy proximity between the vibration-cavity polariton modes and excited state transitions and that polaritons offer an alternative relaxation path for vibrational excitations. Varying the polariton energies by angle-tuning yields transient results consistent with this hypothesis. Furthermore, Rabi oscillations, or quantum beats, are observed at early times and we see evidence that these coherent vibration-cavity polariton excitations impact excited state population through cavity losses. Together, these results indicate that cavity coupling may be used to influence both excitation and relaxation rates of vibrations. Opening the field of polaritonic coupling to vibrational species promises to be a rich arena amenable to a wide variety of infrared-active bonds that can be studied in steady state and dynamically.

  18. Ultrafast relaxation dynamics of electrons in Au clusters capped with dodecanethiol molecules

    International Nuclear Information System (INIS)

    Hamanaka, Y.; Fukagawa, K.; Tai, Y.; Murakami, J.; Nakamura, A.

    2006-01-01

    We have investigated electron relaxation dynamics of size-selected Au clusters capped by dodecanethiol molecules in the cluster sizes of 28-142 atoms using femtosecond pump-probe spectroscopy. Absorption spectra of 28-71-atom clusters show discrete peaks due to the optical transitions between quantized states, while an absorption band due to the surface plasmon is observed in 142-atom clusters. In the differential absorption spectra measured by the pump-probe experiments, a large redshift of 140 meV lasting over 10 ps and absorption bleaching decaying within 2 ps are observed at the absorption peaks of 28-atom clusters. The redshift is ascribed to a charge transfer between Au clusters and dodecanethiol molecules adsorbed on the cluster surface, and the bleaching is due to blocking of the optical transitions between the ground state and the occupied electronic states due to the Pauli's-exclusion principle. Such behavior is in contrast to the 142-atom clusters, where the cooling of hot electrons generated by photo-excitation determines the relaxation dynamics. These results indicate molecular properties of the 28-atom Au cluster-dodecanethiol system

  19. Dynamics of electron solvation in methanol: Excited state relaxation and generation by charge-transfer-to-solvent

    International Nuclear Information System (INIS)

    Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

    2015-01-01

    The charge-transfer-to-solvent dynamics (CTTS) and excited state relaxation mechanism of the solvated electron in methanol are studied by time-resolved photoelectron spectroscopy on a liquid methanol microjet by means of two-pulse and three-pulse experiments. In the two-pulse experiment, CTTS excitation is followed by a probe photoejection pulse. The resulting time-evolving photoelectron spectrum reveals multiple time scales characteristic of relaxation and geminate recombination of the initially generated electron which are consistent with prior results from transient absorption. In the three-pulse experiment, the relaxation dynamics of the solvated electron following electronic excitation are measured. The internal conversion lifetime of the excited electron is found to be 130 ± 40 fs, in agreement with extrapolated results from clusters and the non-adiabatic relaxation mechanism

  20. Dynamics of electron solvation in methanol: Excited state relaxation and generation by charge-transfer-to-solvent

    Science.gov (United States)

    Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

    2015-06-01

    The charge-transfer-to-solvent dynamics (CTTS) and excited state relaxation mechanism of the solvated electron in methanol are studied by time-resolved photoelectron spectroscopy on a liquid methanol microjet by means of two-pulse and three-pulse experiments. In the two-pulse experiment, CTTS excitation is followed by a probe photoejection pulse. The resulting time-evolving photoelectron spectrum reveals multiple time scales characteristic of relaxation and geminate recombination of the initially generated electron which are consistent with prior results from transient absorption. In the three-pulse experiment, the relaxation dynamics of the solvated electron following electronic excitation are measured. The internal conversion lifetime of the excited electron is found to be 130 ± 40 fs, in agreement with extrapolated results from clusters and the non-adiabatic relaxation mechanism.

  1. Dynamics of electron solvation in methanol: Excited state relaxation and generation by charge-transfer-to-solvent

    Energy Technology Data Exchange (ETDEWEB)

    Elkins, Madeline H.; Williams, Holly L. [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Neumark, Daniel M. [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2015-06-21

    The charge-transfer-to-solvent dynamics (CTTS) and excited state relaxation mechanism of the solvated electron in methanol are studied by time-resolved photoelectron spectroscopy on a liquid methanol microjet by means of two-pulse and three-pulse experiments. In the two-pulse experiment, CTTS excitation is followed by a probe photoejection pulse. The resulting time-evolving photoelectron spectrum reveals multiple time scales characteristic of relaxation and geminate recombination of the initially generated electron which are consistent with prior results from transient absorption. In the three-pulse experiment, the relaxation dynamics of the solvated electron following electronic excitation are measured. The internal conversion lifetime of the excited electron is found to be 130 ± 40 fs, in agreement with extrapolated results from clusters and the non-adiabatic relaxation mechanism.

  2. Impacts of Base-Case and Post-Contingency Constraint Relaxations on Static and Dynamic Operational Security

    Science.gov (United States)

    Salloum, Ahmed

    Constraint relaxation by definition means that certain security, operational, or financial constraints are allowed to be violated in the energy market model for a predetermined penalty price. System operators utilize this mechanism in an effort to impose a price-cap on shadow prices throughout the market. In addition, constraint relaxations can serve as corrective approximations that help in reducing the occurrence of infeasible or extreme solutions in the day-ahead markets. This work aims to capture the impact constraint relaxations have on system operational security. Moreover, this analysis also provides a better understanding of the correlation between DC market models and AC real-time systems and analyzes how relaxations in market models propagate to real-time systems. This information can be used not only to assess the criticality of constraint relaxations, but also as a basis for determining penalty prices more accurately. Constraint relaxations practice was replicated in this work using a test case and a real-life large-scale system, while capturing both energy market aspects and AC real-time system performance. System performance investigation included static and dynamic security analysis for base-case and post-contingency operating conditions. PJM peak hour loads were dynamically modeled in order to capture delayed voltage recovery and sustained depressed voltage profiles as a result of reactive power deficiency caused by constraint relaxations. Moreover, impacts of constraint relaxations on operational system security were investigated when risk based penalty prices are used. Transmission lines in the PJM system were categorized according to their risk index and each category was as-signed a different penalty price accordingly in order to avoid real-time overloads on high risk lines. This work also extends the investigation of constraint relaxations to post-contingency relaxations, where emergency limits are allowed to be relaxed in energy market models

  3. Perceiving Event Dynamics and Parsing Hollywood Films

    Science.gov (United States)

    Cutting, James E.; Brunick, Kaitlin L.; Candan, Ayse

    2012-01-01

    We selected 24 Hollywood movies released from 1940 through 2010 to serve as a film corpus. Eight viewers, three per film, parsed them into events, which are best termed subscenes. While watching a film a second time, viewers scrolled through frames and recorded the frame number where each event began. Viewers agreed about 90% of the time. We then…

  4. Numerical method of lines for the relaxational dynamics of nematic liquid crystals.

    Science.gov (United States)

    Bhattacharjee, A K; Menon, Gautam I; Adhikari, R

    2008-08-01

    We propose an efficient numerical scheme, based on the method of lines, for solving the Landau-de Gennes equations describing the relaxational dynamics of nematic liquid crystals. Our method is computationally easy to implement, balancing requirements of efficiency and accuracy. We benchmark our method through the study of the following problems: the isotropic-nematic interface, growth of nematic droplets in the isotropic phase, and the kinetics of coarsening following a quench into the nematic phase. Our results, obtained through solutions of the full coarse-grained equations of motion with no approximations, provide a stringent test of the de Gennes ansatz for the isotropic-nematic interface, illustrate the anisotropic character of droplets in the nucleation regime, and validate dynamical scaling in the coarsening regime.

  5. Electronic relaxation dynamics of a metal atom deposited on argon cluster

    International Nuclear Information System (INIS)

    Awali, Slim

    2014-01-01

    This thesis is a study on the interaction between electronically excited atomic states and a non-reactive environment. We have theoretically and experimentally studied situations where a metal atom (Ba or K) is placed in a finite size environment (argon cluster). The presence of the medium affects the electronic levels of the atom. On the other side, the excitation of the atom induces a relaxation dynamics of the electronic energy through the deformation of the cluster. The experimental part of this work focuses on two aspects: the spectroscopy and the dynamics. In both cases a first laser electronically excites the metal atom and the second ionizes the excited system. The observable is the photoelectron spectrum recorded after photoionization and possibly information on the photoion which are also produced. This pump/probe technique, with also two lasers, provide the ultrafast dynamic when the lasers pulses used are of ultrashort (60 fs). The use of nanosecond lasers leads to resonance spectroscopic measurement, unresolved temporally, which give information on the position of the energy levels of the studied system. From a theoretical point-of-view, the excited states of M-Ar n were calculated at the ab initio level, using large core pseudo-potential to limit the active electrons of the metal to valence electrons. The study of alkali metals (potassium) is especially well adapted to this method since only one electron is active. The ab-initio calculation and a Monte-Carlo simulation where coupled to optimize the geometry of the KAr n (n = 1-10) cluster when K is in the ground state of the neutral and the ion, or excited in the 4p or 5s state. Calculations were also conducted in collaboration with B. Gervais (CIMAP, Caen) on KAr n clusters having several tens of argon atoms. Absorption spectra were also calculated. From an experimental point-of-view, we were able to characterize the excited states of potassium and barium perturbed by the clusters. In both cases a

  6. Quantifying protein dynamics in the ps–ns time regime by NMR relaxation

    Energy Technology Data Exchange (ETDEWEB)

    Hernández, Griselda; LeMaster, David M., E-mail: david.lemaster@health.ny.gov [University at Albany - SUNY, Wadsworth Center, New York State Department of Health and Department of Biomedical Sciences, School of Public Health (United States)

    2016-11-15

    Both {sup 15}N chemical shift anisotropy (CSA) and sufficiently rapid exchange linebroadening transitions exhibit relaxation contributions that are proportional to the square of the magnetic field. Deconvoluting these contributions is further complicated by residue-dependent variations in protein amide {sup 15}N CSA values which have proven difficult to accurately measure. Exploiting recently reported improvements for the implementation of T{sub 1} and T{sub 1ρ} experiments, field strength-dependent studies have been carried out on the B3 domain of protein G (GB3) as well as on the immunophilin FKBP12 and a H87V variant of that protein in which the major conformational exchange linebroadening transition is suppressed. By applying a zero frequency spectral density rescaling analysis to the relaxation data collected at magnetic fields from 500 to 900 MHz {sup 1}H, differential residue-specific {sup 15}N CSA values have been obtained for GB3 which correlate with those derived from solid state and liquid crystalline NMR measurements to a level similar to the correlation among those previously reported studies. Application of this analysis protocol to FKBP12 demonstrated an efficient quantitation of both weak exchange linebroadening contributions and differential residue-specific {sup 15}N CSA values. Experimental access to such differential residue-specific {sup 15}N CSA values should significantly facilitate more accurate comparisons with molecular dynamics simulations of protein motion that occurs within the timeframe of global molecular tumbling.

  7. Vibrational relaxation dynamics of SD molecules in As2S3: Observation of an anomalous isotope effect

    International Nuclear Information System (INIS)

    Engholm, J.R.; Happek, U.; Rella, C.W.

    1995-01-01

    It is generally assumed that the vibrational relaxation of molecular impurities in crystals and glasses mainly depends on the order of the decay process, with lower order processes leading to more rapid relaxation (a behavior that is known under the term open-quotes gap-lawclose quotes). Here we present measurements that contradict this assumption. Using high intensity psec pulses of the Stanford FEL we measured the relaxation rate of the SD vibrational stretch mode (at a frequency of 1800 cm) by applying a pump-probe technique. We find relaxation rates on the order of 2x10 9 sec -1 , which are a factor of 2 lower than those found for the isotope molecule SH (at a frequency of about 2500 cm - 1 ) in the same host 1 . We recall that the relaxation of the SD vibrational stretch mode is controlled by a lower order process as compared to the SH molecule, which is due to the smaller number of host vibrational quanta to match the energy of the stretch mode; a fact we have confirmed experimentally by temperature dependent relaxation measurements. Thus our remits are in marked contrast to the so-called open-quotes Gap-Lawclose quotes and emphasize the importance of the molecule - host coupling in the relaxation dynamics

  8. Dynamics and predictions in the co-event interpretation

    International Nuclear Information System (INIS)

    Ghazi-Tabatabai, Yousef; Wallden, Petros

    2009-01-01

    Sorkin has introduced a new, observer independent, interpretation of quantum mechanics that can give a successful realist account of the 'quantum micro-world' as well as explaining how classicality emerges at the level of observable events for a range of systems including single time 'Copenhagen measurements'. This 'co-event interpretation' presents us with a new ontology, in which a single 'co-event' is real. A new ontology necessitates a review of the dynamical and predictive mechanism of a theory, and in this paper we begin the process by exploring means of expressing the dynamical and predictive content of histories theories in terms of co-events

  9. The x ray morphology of the relaxed cluster of galaxies A2256. 1: Evidence for a merger event

    Science.gov (United States)

    Briel, U. G.; Henry, J. Patrick; Schwarz, Raimund A.; Boehringer, Hans; Ebeling, Harald; Edge, Alastair C.; Hartner, Gisela D.; Schindler, Sabine; Truemper, Joachim E.; Voges, Wolfgang

    1991-01-01

    The rich cluster of galaxies A2256 was studied utilizing the imaging proportional counter (PSPC (Position Sensitive Proportional Counters)) on board the x-ray observatory ROSAT. A2256 is considered to be a relaxed, Comalike cluster which is dynamically well evolved. However, clear evidence for substructure in A2256 was found. The x-ray surface brightness distribution reveals two separate maxima in the center, one of which is coincident with the central cD galaxy while the morphology of the other shows indications that it is merging with the main cluster body. The x-ray temperatures of the two maxima are different; the probable merging object being about a factor of five cooler than the cluster. The previously measured broad velocity distribution supports the idea that a merger in this cluster is being observed.

  10. The X-ray morphology of the relaxed cluster of galaxies A2256. I - Evidence for a merger event

    Science.gov (United States)

    Briel, U. G.; Henry, J. P.; Schwarz, R. A.; Boehringer, H.; Ebeling, H.

    1991-01-01

    The rich cluster of galaxies A2256 are studied by utilizing the imaging proportional counter on board the X-ray observatory ROSAT. A2256 is considered to be a relaxed Coma-like cluster which is dynamically well evolved. Cleara evidence, however, is found for substructure in A2256. The X-ray surface brightness distribution reveals two separate maxima in the center; one of which is coincident with the central cD galaxy while the morphology of the other shows indications that it is merging with the main cluster body. The X-ray temperatures of the two maxima are different; the probable merging object being about a factor of five cooler than the cluster. The previously measured broad velocity distribution supports the idea that a merger is occurring in this cluster.

  11. Relaxation dynamics in the presence of pulse multiplicative noise sources with different correlation properties

    Science.gov (United States)

    Kargovsky, A. V.; Chichigina, O. A.; Anashkina, E. I.; Valenti, D.; Spagnolo, B.

    2015-10-01

    The relaxation dynamics of a system described by a Langevin equation with pulse multiplicative noise sources with different correlation properties is considered. The solution of the corresponding Fokker-Planck equation is derived for Gaussian white noise. Moreover, two pulse processes with regulated periodicity are considered as a noise source: the dead-time-distorted Poisson process and the process with fixed time intervals, which is characterized by an infinite correlation time. We find that the steady state of the system is dependent on the correlation properties of the pulse noise. An increase of the noise correlation causes the decrease of the mean value of the solution at the steady state. The analytical results are in good agreement with the numerical ones.

  12. Novel spin dynamics in ferrimagnetic molecular chains from {sup 1}H NMR and {mu}SR spin-lattice relaxation measurements

    Energy Technology Data Exchange (ETDEWEB)

    Micotti, E. E-mail: micotti@fisicavolta.unipv.it; Lascialfari, A.; Rigamonti, A.; Aldrovandi, S.; Caneschi, A.; Gatteschi, D.; Bogani, L

    2004-05-01

    The spin dynamics in the helical chain Co(hfac){sub 2}NITPhOMe has been investigated by {sup 1}H NMR and {mu}SR relaxation. In the temperature range 15relaxation of the homogeneous magnetization. For T{<=}15 K, NMR and {mu}SR evidence a second spin relaxation mechanism, undetected by the magnetization measurements. From the analysis of these data, insights on this novel relaxation process are derived.

  13. Relaxation dynamics of glass transition in PMMA + SWCNT composites by temperature-modulated DSC

    Science.gov (United States)

    Pradhan, N. R.; Iannacchione, G. S.

    2010-03-01

    The experimental technique offered by temperature-modulated differential scanning calorimeter (TMDSC) used to investigate the thermal relaxation dynamics through the glass transition as a function of frequency was studied for pure PMMA and PMMA-single wall carbon nanotubes (SWCNTs) composites. A strong dependence of the temperature dependence peak in the imaginary part of complex heat capacity (Tmax) is found during the transition from the glass-like to the liquid-like region. The frequency dependence of Tmax of the imaginary part of heat capacity (Cp) is described by Arrhenius law. The activation energy obtained from the fitting shows increases while the characteristic relaxation time decreases with increasing mass fraction (phim) of SWCNTs. The dynamics of the composites during glass transition, at slow and high scan rates, are also the main focus of this experimental study. The change in enthalpy during heating and cooling is also reported as a function of scan rate and frequency of temperature modulation. The glass transition temperature (Tg) shows increases with increasing frequency of temperature modulation and phim of SWCNTs inside the polymer host. Experimental results show that Tg is higher at higher scan rates but as the frequency of temperature modulation increases, the Tg values of different scan rates coincide with each other and alter the scan rate dependence. From the imaginary part of heat capacity, it is obvious that Tmax is not the actual glass transition temperature of pure polymer but Tmax and Tg values can be superimposed when phim increases in the polymer host or when the sample undergoes a transition with a certain frequency of temperature modulation.

  14. Relaxation processes in aqueous solutions upon X-ray exposure. Entanglement of electronic and nuclear dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Unger, Isaak

    2017-07-01

    About a decade ago new types of electronic non-radiative relaxation processes, involving the environment of an electronically excited or ionized monomer, have been predicted for van der Waals clusters and these were also the first systems where such processes have been detected experimentally. These new autoionization channels encompass the recombination of an electron and a hole, and the energy transfer to a neighboring atom or molecule. Two processes can be distinguished here. In the intermolecular Coulombic decay (ICD) the hole created upon ionization of a monomer is filled by a valence electron of the same species, and the energy released in this electron-hole recombination is used to ionize a neighboring species. In the electron transfer mediated decay (ETMD) the initial hole is filled by an electron from a neighboring species, and the energy released by this recombination is either used to ionize the same neighbor species, or to ionize a third monomer. In more recent experiments on liquid water it has been discovered that these non- local autoionization processes are strongly coupled with ultrafast nuclear dynamics. The core ionization initiates proton motion along a hydrogen donor-bond of the electronically excited water cation. This nuclear dynamics leads to the formation of transient cationic species where a proton is shared by two neighboring water molecules. Subsequent autoionization, either via Auger decay, ICD or ETMD, then occurs from any of such structure transients. This relaxation process is termed proton transfer mediated charge separation, PTM-CS. It has been found in a number of experiments that the probability of PTM-CS to occur depends on the hydrogen-bond strength between the core-ionized molecule and solvent molecules.

  15. Superdomain dynamics in ferroelectric-ferroelastic films: Switching, jamming, and relaxation

    Science.gov (United States)

    Scott, J. F.; Hershkovitz, A.; Ivry, Y.; Lu, H.; Gruverman, A.; Gregg, J. M.

    2017-12-01

    Recent experimental work shows that ferroelectric switching can occur in large jumps in which ferroelastic superdomains switch together, rather than having the numerous smaller ferroelectric domains switch within them. In this sense, the superdomains play a role analogous to that of Abrikosov vortices in thin superconducting films under the Kosterlitz-Thouless framework, which control the dynamics more than individual Cooper pairs within them do. Here, we examine the dynamics of ferroelastic superdomains in ferroelastic ferroelectrics and their role in switching devices such as memories. Jamming of ferroelectric domains in thin films has revealed an unexpected time dependence of t-1/4 at long times (hours), but it is difficult to discriminate between power-law and exponential relaxation. Other aspects of this work, including spatial period doubling of domains, led to a description of ferroelastic domains as nonlinear processes in a viscoelastic medium, which produce folding and metastable kinetically limited states. This ¼ exponent is a surprising agreement with the well-known value of ¼ for coarsening dynamics in viscoelastic media. We try to establish a link between these two processes, hitherto considered unrelated, and with superdomains and domain bundles. We note also that high-Tc superconductors share many of the ferroelastic domain properties discussed here and that several new solar cell materials and metal-insulator transition systems are ferroelastic.

  16. Redox-controlled backbone dynamics of human cytochrome c revealed by 15N NMR relaxation measurements

    International Nuclear Information System (INIS)

    Sakamoto, Koichi; Kamiya, Masakatsu; Uchida, Takeshi; Kawano, Keiichi; Ishimori, Koichiro

    2010-01-01

    Research highlights: → The dynamic parameters for the backbone dynamics in Cyt c were determined. → The backbone mobility of Cyt c is highly restricted due to the covalently bound heme. → The backbone mobility of Cyt c is more restricted upon the oxidation of the heme. → The redox-dependent dynamics are shown in the backbone of Cyt c. → The backbone dynamics of Cyt c would regulate the electron transfer from Cyt c. -- Abstract: Redox-controlled backbone dynamics in cytochrome c (Cyt c) were revealed by 2D 15 N NMR relaxation experiments. 15 N T 1 and T 2 values and 1 H- 15 N NOEs of uniformly 15 N-labeled reduced and oxidized Cyt c were measured, and the generalized order parameters (S 2 ), the effective correlation time for internal motion (τ e ), the 15 N exchange broadening contributions (R ex ) for each residue, and the overall correlation time (τ m ) were estimated by model-free dynamics formalism. These dynamic parameters clearly showed that the backbone dynamics of Cyt c are highly restricted due to the covalently bound heme that functions as the stable hydrophobic core. Upon oxidation of the heme iron in Cyt c, the average S 2 value was increased from 0.88 ± 0.01 to 0.92 ± 0.01, demonstrating that the mobility of the backbone is further restricted in the oxidized form. Such increases in the S 2 values were more prominent in the loop regions, including amino acid residues near the thioether bonds to the heme moiety and positively charged region around Lys87. Both of the regions are supposed to form the interaction site for cytochrome c oxidase (CcO) and the electron pathway from Cyt c to CcO. The redox-dependent mobility of the backbone in the interaction site for the electron transfer to CcO suggests an electron transfer mechanism regulated by the backbone dynamics in the Cyt c-CcO system.

  17. Relaxation near Supermassive Black Holes Driven by Nuclear Spiral Arms: Anisotropic Hypervelocity Stars, S-stars, and Tidal Disruption Events

    Energy Technology Data Exchange (ETDEWEB)

    Hamers, Adrian S. [Institute for Advanced Study, School of Natural Sciences, Einstein Drive, Princeton, NJ 08540 (United States); Perets, Hagai B., E-mail: hamers@ias.edu [Technion—Israel Institute of Technology, Haifa 32000 (Israel)

    2017-09-10

    Nuclear spiral arms are small-scale transient spiral structures found in the centers of galaxies. Similarly to their galactic-scale counterparts, nuclear spiral arms can perturb the orbits of stars. In the case of the Galactic center (GC), these perturbations can affect the orbits of stars and binaries in a region extending to several hundred parsecs around the supermassive black hole (SMBH), causing diffusion in orbital energy and angular momentum. This diffusion process can drive stars and binaries to close approaches with the SMBH, disrupting single stars in tidal disruption events (TDEs), or disrupting binaries, leaving a star tightly bound to the SMBH and an unbound star escaping the galaxy, i.e., a hypervelocity star (HVS). Here, we consider diffusion by nuclear spiral arms in galactic nuclei, specifically the Milky Way GC. We determine nuclear-spiral-arm-driven diffusion rates using test-particle integrations and compute disruption rates. Our TDE rates are up to 20% higher compared to relaxation by single stars. For binaries, the enhancement is up to a factor of ∼100, and our rates are comparable to the observed numbers of HVSs and S-stars. Our scenario is complementary to relaxation driven by massive perturbers. In addition, our rates depend on the inclination of the binary with respect to the Galactic plane. Therefore, our scenario provides a novel potential source for the observed anisotropic distribution of HVSs. Nuclear spiral arms may also be important for accelerating the coalescence of binary SMBHs and for supplying nuclear star clusters with stars and gas.

  18. Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales

    International Nuclear Information System (INIS)

    Schwerdtfeger, Christine A.; Soudackov, Alexander V.; Hammes-Schiffer, Sharon

    2014-01-01

    The development of efficient theoretical methods for describing electron transfer (ET) reactions in condensed phases is important for a variety of chemical and biological applications. Previously, dynamical dielectric continuum theory was used to derive Langevin equations for a single collective solvent coordinate describing ET in a polar solvent. In this theory, the parameters are directly related to the physical properties of the system and can be determined from experimental data or explicit molecular dynamics simulations. Herein, we combine these Langevin equations with surface hopping nonadiabatic dynamics methods to calculate the rate constants for thermal ET reactions in polar solvents for a wide range of electronic couplings and reaction free energies. Comparison of explicit and implicit solvent calculations illustrates that the mapping from explicit to implicit solvent models is valid even for solvents exhibiting complex relaxation behavior with multiple relaxation time scales and a short-time inertial response. The rate constants calculated for implicit solvent models with a single solvent relaxation time scale corresponding to water, acetonitrile, and methanol agree well with analytical theories in the Golden rule and solvent-controlled regimes, as well as in the intermediate regime. The implicit solvent models with two relaxation time scales are in qualitative agreement with the analytical theories but quantitatively overestimate the rate constants compared to these theories. Analysis of these simulations elucidates the importance of multiple relaxation time scales and the inertial component of the solvent response, as well as potential shortcomings of the analytical theories based on single time scale solvent relaxation models. This implicit solvent approach will enable the simulation of a wide range of ET reactions via the stochastic dynamics of a single collective solvent coordinate with parameters that are relevant to experimentally accessible

  19. Alternating event processes during lifetimes: population dynamics and statistical inference.

    Science.gov (United States)

    Shinohara, Russell T; Sun, Yifei; Wang, Mei-Cheng

    2018-01-01

    In the literature studying recurrent event data, a large amount of work has been focused on univariate recurrent event processes where the occurrence of each event is treated as a single point in time. There are many applications, however, in which univariate recurrent events are insufficient to characterize the feature of the process because patients experience nontrivial durations associated with each event. This results in an alternating event process where the disease status of a patient alternates between exacerbations and remissions. In this paper, we consider the dynamics of a chronic disease and its associated exacerbation-remission process over two time scales: calendar time and time-since-onset. In particular, over calendar time, we explore population dynamics and the relationship between incidence, prevalence and duration for such alternating event processes. We provide nonparametric estimation techniques for characteristic quantities of the process. In some settings, exacerbation processes are observed from an onset time until death; to account for the relationship between the survival and alternating event processes, nonparametric approaches are developed for estimating exacerbation process over lifetime. By understanding the population dynamics and within-process structure, the paper provide a new and general way to study alternating event processes.

  20. Crystallization Behavior and Relaxation Dynamics of Supercooled S‑Ketoprofen and the Racemic Mixture along an Isochrone

    DEFF Research Database (Denmark)

    Adrjanowicz, Karolina; Kaminski, Kamil; Paluch, Marian

    2015-01-01

    In this paper, we study crystallization behavior and molecular dynamics in the supercooled liquid state of the pharmaceutically important compound ketoprofen at various thermodynamic conditions. Dielectric relaxation for a racemic mixture was investigated in a wide range of temperatures and press...

  1. Anisotropic Rotational Diffusion Studied by Nuclear Spin Relaxation and Molecular Dynamics Simulation: An Undergraduate Physical Chemistry Laboratory

    Science.gov (United States)

    Fuson, Michael M.

    2017-01-01

    Laboratories studying the anisotropic rotational diffusion of bromobenzene using nuclear spin relaxation and molecular dynamics simulations are described. For many undergraduates, visualizing molecular motion is challenging. Undergraduates rarely encounter laboratories that directly assess molecular motion, and so the concept remains an…

  2. General framework for studying the dynamics of folded and nonfolded proteins by NMR relaxation spectroscopy and MD simulation

    NARCIS (Netherlands)

    Prompers, J.J.; Brüschweiler, R.

    2002-01-01

    A general framework is presented for the interpretation of NMR relaxation data of proteins. The method, termed isotropic reorientational eigenmode dynamics (iRED), relies on a principal component analysis of the isotropically averaged covariance matrix of the lattice functions of the spin

  3. Structure, Dynamics, and Kinetics of Weak Protein-Protein Complexes from NMR Spin Relaxation Measurements of Titrated Solutions

    International Nuclear Information System (INIS)

    Salmon, L.; Licinio, A.; Jensen, M.R.; Blackledge, M.; Ortega Roldan, J.L.; Van Nuland, N.; Lescop, E.

    2011-01-01

    We have recently presented a titration approach for the determination of residual dipolar couplings (RDCs) from experimentally inaccessible complexes. Here, we extend this approach to the measurement of 15 N spin relaxation rates and demonstrate that this can provide long-range structural, dynamic, and kinetic information about these elusive systems. (authors)

  4. Dynamic Mesh Adaptation for Front Evolution Using Discontinuous Galerkin Based Weighted Condition Number Mesh Relaxation

    Energy Technology Data Exchange (ETDEWEB)

    Greene, Patrick T. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Schofield, Samuel P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Nourgaliev, Robert [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2016-06-21

    A new mesh smoothing method designed to cluster mesh cells near a dynamically evolving interface is presented. The method is based on weighted condition number mesh relaxation with the weight function being computed from a level set representation of the interface. The weight function is expressed as a Taylor series based discontinuous Galerkin projection, which makes the computation of the derivatives of the weight function needed during the condition number optimization process a trivial matter. For cases when a level set is not available, a fast method for generating a low-order level set from discrete cell-centered elds, such as a volume fraction or index function, is provided. Results show that the low-order level set works equally well for the weight function as the actual level set. Meshes generated for a number of interface geometries are presented, including cases with multiple level sets. Dynamic cases for moving interfaces are presented to demonstrate the method's potential usefulness to arbitrary Lagrangian Eulerian (ALE) methods.

  5. Disentangling distribution effects and nature of the dynamics in relaxation measurements: the RMR method

    CERN Document Server

    Sappey, R; Ocio, M; Hammann, J

    2000-01-01

    We discuss here the nature of the low-temperature magnetic relaxation in samples of magnetic nanoparticles. In addition to usual magnetic viscosity measurement, we have used the residual memory ratio (RMR) method. This procedure enables us to overcome the uncertainties usually associated with the energy barrier distribution, thus giving a more detailed insight on the nature of the observed dynamics. A custom-made apparatus coupling dilution refrigeration and SQUID magnetometry allowed measurements of very diluted samples at temperatures ranging between 60 mK and 7 K. Two types of particles have been studied: gamma-Fe sub 2 O sub 3 of moderate anisotropy, and CoFe sub 2 O sub 4 of higher anisotropy where quantum effects are more likely to occur. In both cases, the data cannot simply be interpreted in terms of mere thermally activated dynamics of independent particles. The deviation from thermal activation seems to go opposite of what is expected from the possible effect of particle interactions. We therefore b...

  6. Dynamic and structural characterisation of micellar solutions of surfactants by spin relaxation and translational diffusion

    International Nuclear Information System (INIS)

    Mahieu, Nathalie

    1992-01-01

    The work reported in this research thesis aimed at characterizing micellar phases formed by some surfactants (sodium carboxylates) in aqueous solution. After some recalls on nuclear magnetic resonance dealing with spin relaxation (longitudinal relaxation, transverse relaxation, relaxation in the rotating coordinate system, and crossed relaxation), and comments on the dipolar mechanism responsible of relaxation phenomena, the author presents the methods used for relaxation parameter measurement and the data processing software issued from experiments. He presents experiments which allowed the self-diffusion coefficient to be measured, reports data processing, and addresses problems of special diffusion and of coherence transfers during diffusion measurements. Results of proton relaxation measurements are then presented and discussed. They are used to determine the micellar state of the studied carboxylates. The case of the oleate is also addressed. Measurements of carbon-13 relaxation times are reported, and exploited in terms of structural parameters by using the Relaxator software. An original method of the hetero-nuclear Overhauser method is presented, and used to assess the average distance between water molecules and micelle surface [fr

  7. Causal relations among events and states in dynamic geographical phenomena

    Science.gov (United States)

    Huang, Zhaoqiang; Feng, Xuezhi; Xuan, Wenling; Chen, Xiuwan

    2007-06-01

    There is only a static state of the real world to be recorded in conventional geographical information systems. However, there is not only static information but also dynamic information in geographical phenomena. So that how to record the dynamic information and reveal the relations among dynamic information is an important issue in a spatio-temporal information system. From an ontological perspective, we can initially divide the spatio-temporal entities in the world into continuants and occurrents. Continuant entities endure through some extended (although possibly very short) interval of time (e.g., houses, roads, cities, and real-estate). Occurrent entities happen and are then gone (e.g., a house repair job, road construction project, urban expansion, real-estate transition). From an information system perspective, continuants and occurrents that have a unique identity in the system are referred to as objects and events, respectively. And the change is represented implicitly by static snapshots in current spatial temporal information systems. In the previous models, the objects can be considered as the fundamental components of the system, and the change is modeled by considering time-varying attributes of these objects. In the spatio-temporal database, the temporal information that is either interval or instant is involved and the underlying data structures and indexes for temporal are considerable investigated. However, there is the absence of explicit ways of considering events, which affect the attributes of objects or the state. So the research issue of this paper focuses on how to model events in conceptual models of dynamic geographical phenomena and how to represent the causal relations among events and the objects or states. Firstly, the paper reviews the conceptual modeling in a temporal GIS by researchers. Secondly, this paper discusses the spatio-temporal entities: objects and events. Thirdly, this paper investigates the causal relations amongst

  8. Rotational dynamics in supercooled water from nuclear spin relaxation and molecular simulations.

    Science.gov (United States)

    Qvist, Johan; Mattea, Carlos; Sunde, Erik P; Halle, Bertil

    2012-05-28

    Structural dynamics in liquid water slow down dramatically in the supercooled regime. To shed further light on the origin of this super-Arrhenius temperature dependence, we report high-precision (17)O and (2)H NMR relaxation data for H(2)O and D(2)O, respectively, down to 37 K below the equilibrium freezing point. With the aid of molecular dynamics (MD) simulations, we provide a detailed analysis of the rotational motions probed by the NMR experiments. The NMR-derived rotational correlation time τ(R) is the integral of a time correlation function (TCF) that, after a subpicosecond librational decay, can be described as a sum of two exponentials. Using a coarse-graining algorithm to map the MD trajectory on a continuous-time random walk (CTRW) in angular space, we show that the slowest TCF component can be attributed to large-angle molecular jumps. The mean jump angle is ∼48° at all temperatures and the waiting time distribution is non-exponential, implying dynamical heterogeneity. We have previously used an analogous CTRW model to analyze quasielastic neutron scattering data from supercooled water. Although the translational and rotational waiting times are of similar magnitude, most translational jumps are not synchronized with a rotational jump of the same molecule. The rotational waiting time has a stronger temperature dependence than the translation one, consistent with the strong increase of the experimentally derived product τ(R) D(T) at low temperatures. The present CTRW jump model is related to, but differs in essential ways from the extended jump model proposed by Laage and co-workers. Our analysis traces the super-Arrhenius temperature dependence of τ(R) to the rotational waiting time. We present arguments against interpreting this temperature dependence in terms of mode-coupling theory or in terms of mixture models of water structure.

  9. Structural relaxation of polydisperse hard spheres: comparison of the mode-coupling theory to a Langevin dynamics simulation.

    Science.gov (United States)

    Weysser, F; Puertas, A M; Fuchs, M; Voigtmann, Th

    2010-07-01

    We analyze the slow glassy structural relaxation as measured through collective and tagged-particle density correlation functions obtained from Brownian dynamics simulations for a polydisperse system of quasi-hard spheres in the framework of the mode-coupling theory (MCT) of the glass transition. Asymptotic analyses show good agreement for the collective dynamics when polydispersity effects are taken into account in a multicomponent calculation, but qualitative disagreement at small q when the system is treated as effectively monodisperse. The origin of the different small-q behavior is attributed to the interplay between interdiffusion processes and structural relaxation. Numerical solutions of the MCT equations are obtained taking properly binned partial static structure factors from the simulations as input. Accounting for a shift in the critical density, the collective density correlation functions are well described by the theory at all densities investigated in the simulations, with quantitative agreement best around the maxima of the static structure factor and worst around its minima. A parameter-free comparison of the tagged-particle dynamics however reveals large quantitative errors for small wave numbers that are connected to the well-known decoupling of self-diffusion from structural relaxation and to dynamical heterogeneities. While deviations from MCT behavior are clearly seen in the tagged-particle quantities for densities close to and on the liquid side of the MCT glass transition, no such deviations are seen in the collective dynamics.

  10. Cellular Particle Dynamics simulation of biomechanical relaxation processes of multi-cellular systems

    Science.gov (United States)

    McCune, Matthew; Kosztin, Ioan

    2013-03-01

    Cellular Particle Dynamics (CPD) is a theoretical-computational-experimental framework for describing and predicting the time evolution of biomechanical relaxation processes of multi-cellular systems, such as fusion, sorting and compression. In CPD, cells are modeled as an ensemble of cellular particles (CPs) that interact via short range contact interactions, characterized by an attractive (adhesive interaction) and a repulsive (excluded volume interaction) component. The time evolution of the spatial conformation of the multicellular system is determined by following the trajectories of all CPs through numerical integration of their equations of motion. Here we present CPD simulation results for the fusion of both spherical and cylindrical multi-cellular aggregates. First, we calibrate the relevant CPD model parameters for a given cell type by comparing the CPD simulation results for the fusion of two spherical aggregates to the corresponding experimental results. Next, CPD simulations are used to predict the time evolution of the fusion of cylindrical aggregates. The latter is relevant for the formation of tubular multi-cellular structures (i.e., primitive blood vessels) created by the novel bioprinting technology. Work supported by NSF [PHY-0957914]. Computer time provided by the University of Missouri Bioinformatics Consortium.

  11. Relaxation Dynamics of the Glass Transition in PMMA+SWCNT Composites by Temperature-Modulated DSC

    Science.gov (United States)

    Pradhan, Nihar; Iannacchione, Germano

    2010-03-01

    Temperature Modulated Differential Scanning Calorimeter (TMDSC) used to investigate the thermal relaxation dynamics of PMMA-Single wall carbon nanotubes (SWCNTs) through the glass transition as a function of frequency. A strong dependence of the temperature dependence peak in imaginary part of complex heat capacity (Tmax) was found during the transition from glass like to liquid like region and can be described by Arhenius law. The activation energy shows increases while the charactersistic time decreases with increasing mass fraction (φm) of SWCNTs. Decreasing of enthalpy, while heating and slowly increasing while cooling at 2.0 K/min scan rate was observed and as frequency of temperature modulation increases. There is no relative change of enthalpy in heating and cooling observed at sufficiently slow scan rate. The glass transition temperature (Tg) shows increases as a function of frequency of temperature modulation, φm of SWCNTs and with increasing scan rate. From imaginary part of heat capacity, it obvious that Tmax is not the actual glass transition temperature of pure polymer but Tmax and Tg values can be superimpose when φm of SWCNT increases in polymer.

  12. Dynamics and predictions in the co-event interpretation

    Energy Technology Data Exchange (ETDEWEB)

    Ghazi-Tabatabai, Yousef [Blackett Laboratory, Imperial College, London, SW7 2AZ (United Kingdom); Wallden, Petros [Raman Research Institute, Bangalore 560 080 (India)

    2009-06-12

    Sorkin has introduced a new, observer independent, interpretation of quantum mechanics that can give a successful realist account of the 'quantum micro-world' as well as explaining how classicality emerges at the level of observable events for a range of systems including single time 'Copenhagen measurements'. This 'co-event interpretation' presents us with a new ontology, in which a single 'co-event' is real. A new ontology necessitates a review of the dynamical and predictive mechanism of a theory, and in this paper we begin the process by exploring means of expressing the dynamical and predictive content of histories theories in terms of co-events.

  13. Dynamic Event Tree advancements and control logic improvements

    International Nuclear Information System (INIS)

    Alfonsi, Andrea; Rabiti, Cristian; Mandelli, Diego; Sen, Ramazan Sonat; Cogliati, Joshua Joseph

    2015-01-01

    The RAVEN code has been under development at the Idaho National Laboratory since 2012. Its main goal is to create a multi-purpose platform for the deploying of all the capabilities needed for Probabilistic Risk Assessment, uncertainty quantification, data mining analysis and optimization studies. RAVEN is currently equipped with three different sampling categories: Forward samplers (Monte Carlo, Latin Hyper Cube, Stratified, Grid Sampler, Factorials, etc.), Adaptive Samplers (Limit Surface search, Adaptive Polynomial Chaos, etc.) and Dynamic Event Tree (DET) samplers (Deterministic and Adaptive Dynamic Event Trees). The main subject of this document is to report the activities that have been done in order to: start the migration of the RAVEN/RELAP-7 control logic system into MOOSE, and develop advanced dynamic sampling capabilities based on the Dynamic Event Tree approach. In order to provide to all MOOSE-based applications a control logic capability, in this Fiscal Year an initial migration activity has been initiated, moving the control logic system, designed for RELAP-7 by the RAVEN team, into the MOOSE framework. In this document, a brief explanation of what has been done is going to be reported. The second and most important subject of this report is about the development of a Dynamic Event Tree (DET) sampler named 'Hybrid Dynamic Event Tree' (HDET) and its Adaptive variant 'Adaptive Hybrid Dynamic Event Tree' (AHDET). As other authors have already reported, among the different types of uncertainties, it is possible to discern two principle types: aleatory and epistemic uncertainties. The classical Dynamic Event Tree is in charge of treating the first class (aleatory) uncertainties; the dependence of the probabilistic risk assessment and analysis on the epistemic uncertainties are treated by an initial Monte Carlo sampling (MCDET). From each Monte Carlo sample, a DET analysis is run (in total, N trees). The Monte Carlo employs a pre

  14. Dynamic Event Tree advancements and control logic improvements

    Energy Technology Data Exchange (ETDEWEB)

    Alfonsi, Andrea [Idaho National Lab. (INL), Idaho Falls, ID (United States); Rabiti, Cristian [Idaho National Lab. (INL), Idaho Falls, ID (United States); Mandelli, Diego [Idaho National Lab. (INL), Idaho Falls, ID (United States); Sen, Ramazan Sonat [Idaho National Lab. (INL), Idaho Falls, ID (United States); Cogliati, Joshua Joseph [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-09-01

    The RAVEN code has been under development at the Idaho National Laboratory since 2012. Its main goal is to create a multi-purpose platform for the deploying of all the capabilities needed for Probabilistic Risk Assessment, uncertainty quantification, data mining analysis and optimization studies. RAVEN is currently equipped with three different sampling categories: Forward samplers (Monte Carlo, Latin Hyper Cube, Stratified, Grid Sampler, Factorials, etc.), Adaptive Samplers (Limit Surface search, Adaptive Polynomial Chaos, etc.) and Dynamic Event Tree (DET) samplers (Deterministic and Adaptive Dynamic Event Trees). The main subject of this document is to report the activities that have been done in order to: start the migration of the RAVEN/RELAP-7 control logic system into MOOSE, and develop advanced dynamic sampling capabilities based on the Dynamic Event Tree approach. In order to provide to all MOOSE-based applications a control logic capability, in this Fiscal Year an initial migration activity has been initiated, moving the control logic system, designed for RELAP-7 by the RAVEN team, into the MOOSE framework. In this document, a brief explanation of what has been done is going to be reported. The second and most important subject of this report is about the development of a Dynamic Event Tree (DET) sampler named “Hybrid Dynamic Event Tree” (HDET) and its Adaptive variant “Adaptive Hybrid Dynamic Event Tree” (AHDET). As other authors have already reported, among the different types of uncertainties, it is possible to discern two principle types: aleatory and epistemic uncertainties. The classical Dynamic Event Tree is in charge of treating the first class (aleatory) uncertainties; the dependence of the probabilistic risk assessment and analysis on the epistemic uncertainties are treated by an initial Monte Carlo sampling (MCDET). From each Monte Carlo sample, a DET analysis is run (in total, N trees). The Monte Carlo employs a pre-sampling of the

  15. Interpretation of NMR relaxation properties of Pin1, a two-domain protein, based on Brownian dynamic simulations

    International Nuclear Information System (INIS)

    Bernado, Pau; Fernandes, Miguel X.; Jacobs, Doris M.; Fiebig, Klaus; Garcia de la Torre, Jose; Pons, Miquel

    2004-01-01

    Many important proteins contain multiple domains connected by flexible linkers. Inter-domain motion is suggested to play a key role in many processes involving molecular recognition. Heteronuclear NMR relaxation is sensitive to motions in the relevant time scales and could provide valuable information on the dynamics of multi-domain proteins. However, the standard analysis based on the separation of global tumbling and fast local motions is no longer valid for multi-domain proteins undergoing internal motions involving complete domains and that take place on the same time scale than the overall motion.The complexity of the motions experienced even for the simplest two-domain proteins are difficult to capture with simple extensions of the classical Lipari-Szabo approach. Hydrodynamic effects are expected to dominate the motion of the individual globular domains, as well as that of the complete protein. Using Pin1 as a test case, we have simulated its motion at the microsecond time scale, at a reasonable computational expense, using Brownian Dynamic simulations on simplified models. The resulting trajectories provide insight on the interplay between global and inter-domain motion and can be analyzed using the recently published method of isotropic Reorientational Mode Dynamics which offer a way of calculating their contribution to heteronuclear relaxation rates. The analysis of trajectories computed with Pin1 models of different flexibility provides a general framework to understand the dynamics of multi-domain proteins and explains some of the observed features in the relaxation rate profile of free Pin1

  16. Interpretation of NMR relaxation properties of Pin1, a two-domain protein, based on Brownian dynamic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Bernado, Pau [Institut de Biologie Structurale, Jean Pierre Ebel (France); Fernandes, Miguel X. [Universidad de Murcia, Departamento de Quimica Fisica, Facultad de Quimica (Spain); Jacobs, Doris M. [Johann Wolfgang Goethe-Universitaet Frankfurt, Institut fuer Organische Chemie und Chemische Biologie (Germany); Fiebig, Klaus [Affinium Pharmaceuticals (Canada); Garcia de la Torre, Jose [Universidad de Murcia, Departamento de Quimica Fisica, Facultad de Quimica (Spain); Pons, Miquel [Laboratori de RMN de Biomolecules, Parc Cientific de Barcelona (Spain)], E-mail: mpons@ub.edu

    2004-05-15

    Many important proteins contain multiple domains connected by flexible linkers. Inter-domain motion is suggested to play a key role in many processes involving molecular recognition. Heteronuclear NMR relaxation is sensitive to motions in the relevant time scales and could provide valuable information on the dynamics of multi-domain proteins. However, the standard analysis based on the separation of global tumbling and fast local motions is no longer valid for multi-domain proteins undergoing internal motions involving complete domains and that take place on the same time scale than the overall motion.The complexity of the motions experienced even for the simplest two-domain proteins are difficult to capture with simple extensions of the classical Lipari-Szabo approach. Hydrodynamic effects are expected to dominate the motion of the individual globular domains, as well as that of the complete protein. Using Pin1 as a test case, we have simulated its motion at the microsecond time scale, at a reasonable computational expense, using Brownian Dynamic simulations on simplified models. The resulting trajectories provide insight on the interplay between global and inter-domain motion and can be analyzed using the recently published method of isotropic Reorientational Mode Dynamics which offer a way of calculating their contribution to heteronuclear relaxation rates. The analysis of trajectories computed with Pin1 models of different flexibility provides a general framework to understand the dynamics of multi-domain proteins and explains some of the observed features in the relaxation rate profile of free Pin1.

  17. Dynamic relaxation processes in compressible multiphase flows. Application to evaporation phenomena

    Directory of Open Access Journals (Sweden)

    Le Métayer O.

    2013-07-01

    Full Text Available Phase changes and heat exchanges are examples of physical processes appearing in many industrial applications involving multiphase compressible flows. Their knowledge is of fundamental importance to reproduce correctly the resulting effects in simulation tools. A fine description of the flow topology is thus required to obtain the interfacial area between phases. This one is responsible for the dynamics and the kinetics of heat and mass transfer when evaporation or condensation occurs. Unfortunately this exchange area cannot be obtained easily and accurately especially when complex mixtures (drops, bubbles, pockets of very different sizes appear inside the transient medium. The natural way to solve this specific trouble consists in using a thin grid to capture interfaces at all spatial scales. But this possibility needs huge computing resources and can be hardly used when considering physical systems of large dimensions. A realistic method is to consider instantaneous exchanges between phases by the way of additional source terms in a full non-equilibrium multiphase flow model [2,15,17]. In this one each phase obeys its own equation of state and has its own set of equations and variables (pressure, temperature, velocity, energy, entropy,.... When enabling the relaxation source terms the multiphase mixture instantaneously tends towards a mechanical or thermodynamic equilibrium state at each point of the flow. This strategy allows to mark the boundaries of the real flow behavior and to magnify the dominant physical effects (heat exchanges, evaporation, drag,... inside the medium. A description of the various relaxation processes is given in the paper. Les changements de phase et les transferts de chaleur sont des exemples de phénomènes physiques présents dans de nombreuses applications industrielles faisant intervenir des écoulements compressibles multiphasiques. La connaissance des mécanismes associés est primordiale afin de reproduire

  18. Nuclear relaxation study of the spin dynamics in a one-dimensional Heisenberg system, TMMC

    International Nuclear Information System (INIS)

    Bakheit, M.A.

    1974-01-01

    Changes in the nuclear relaxation time as a function of the magnetic field intensity in TMMC are very different wether the field direction is parallel or perpendicular to the direction of the exchange chains (vector c). In parallel field, the relaxation probability increases as the field decreases. The process of spin diffusion in a one-dimensional system is well illustrated by the changes experimentally observed. In perpendicular field, the relaxation probability is constant as far as H 0 >2kG, it clearly decreases for H 0 [fr

  19. Dynamic stress relaxation due to cyclic variation of strain at elevated temperature

    International Nuclear Information System (INIS)

    Suzuki, F.

    1975-01-01

    The relaxation of stress which occurs when low amplitude alternating strains are superimposed on constant mean total strains is studied in this paper. Experiments were carried out on a 0.16 per cent carbon steel and an AISI 347 stainless steel at 450 0 C and 650 0 C respectively in which the decrease of axial mean stress was measured as a function of time. When even a low amplitude alternating strain was applied, the rate of stress relaxation was observed to increase. Analytical predictions based on creep and static relaxation data show fairly good agreement with experiments in the period corresponding to transient creep. (author)

  20. 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

  1. Solution conformation and dynamics of a tetrasaccharide related to the LewisX antigen deduced by NMR relaxation measurements

    International Nuclear Information System (INIS)

    Poveda, Ana; Asensio, Juan Luis; Martin-Pastor, Manuel; Jimenez-Barbero, Jesus

    1997-01-01

    1 H-NMR cross-relaxation rates and nonselective longitudinal relaxation times have been obtained at two magnetic fields (7.0 and 11.8 T) and at a variety of temperatures for the branched tetrasaccharide methyl 3-O-α-N-acetyl-galactosaminyl-β-galactopyranosyl-(1 → 4)[3-O-α-fucosyl] -glucopyranoside (1), an inhibitor of astrocyte growth. In addition, 13 C-NMR relaxation data have also been recorded at both fields. The 1 H-NMR relaxation data have been interpreted using different motional models to obtain proton-proton correlation times. The results indicate that the GalNAc and Fuc rings display more extensive local motion than the two inner Glc and Gal moieties, since those present significantly shorter local correlation times. The 13 C-NMR relaxation parameters have been interpreted in terms of the Lipari-Szabo model-free approach. Thus, order parameters and internal motion correlation times have been deduced. As obtained for the 1 H-NMR relaxation data, the two outer residues possess smaller order parameters than the two inner rings. Internal correlation times are in the order of 100 ps. The hydroxymethyl groups have also different behaviour,with the exocyclic carbon on the glucopyranoside unit showing the highestS 2 . Molecular dynamics simulations using a solvated system have also been performed and internal motion correlation functions have been deduced from these calculations. Order parameters and interproton distances have been compared to those inferred from the NMR measurements. The obtained results are in fair agreement with the experimental data

  2. Solution conformation and dynamics of a tetrasaccharide related to the Lewis{sup X} antigen deduced by NMR relaxation measurements

    Energy Technology Data Exchange (ETDEWEB)

    Poveda, Ana [Universidad Autonoma de Madrid, Servicio Interdepartamental de Investigacion (Spain); Asensio, Juan Luis; Martin-Pastor, Manuel; Jimenez-Barbero, Jesus [Instituto de Quimica Organica, CSIC, Grupo de Carbohidratos (Spain)

    1997-07-15

    {sup 1}H-NMR cross-relaxation rates and nonselective longitudinal relaxation times have been obtained at two magnetic fields (7.0 and 11.8 T) and at a variety of temperatures for the branched tetrasaccharide methyl 3-O-{alpha}-N-acetyl-galactosaminyl-{beta}-galactopyranosyl-(1{sup {yields}}4)[3-O-{alpha}-fucosyl] -glucopyranoside (1), an inhibitor of astrocyte growth. In addition, {sup 13}C-NMR relaxation data have also been recorded at both fields. The {sup 1}H-NMR relaxation data have been interpreted using different motional models to obtain proton-proton correlation times. The results indicate that the GalNAc and Fuc rings display more extensive local motion than the two inner Glc and Gal moieties, since those present significantly shorter local correlation times. The{sup 13}C-NMR relaxation parameters have been interpreted in terms of the Lipari-Szabo model-free approach. Thus, order parameters and internal motion correlation times have been deduced. As obtained for the{sup 1}H-NMR relaxation data, the two outer residues possess smaller order parameters than the two inner rings. Internal correlation times are in the order of 100 ps. The hydroxymethyl groups have also different behaviour,with the exocyclic carbon on the glucopyranoside unit showing the highestS{sup 2}. Molecular dynamics simulations using a solvated system have also been performed and internal motion correlation functions have been deduced from these calculations. Order parameters and interproton distances have been compared to those inferred from the NMR measurements. The obtained results are in fair agreement with the experimental data.

  3. Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD{sub 3}CN treated with a parallel multi-state EVB model

    Energy Technology Data Exchange (ETDEWEB)

    Glowacki, David R., E-mail: drglowacki@gmail.com [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Department of Computer Science, University of Bristol, Bristol BS8 1UB (United Kingdom); PULSE Institute and Department of Chemistry, Stanford University, Stanford, California 94305 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Orr-Ewing, Andrew J. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Harvey, Jeremy N. [Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Heverlee (Belgium)

    2015-07-28

    We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD{sub 3}CN → DF + CD{sub 2}CN reaction in CD{sub 3}CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD{sub 3}CN solvent, equilibrium power spectra of DF in CD{sub 3}CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol{sup −1} localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD{sub 3}CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational

  4. Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model.

    Science.gov (United States)

    Glowacki, David R; Orr-Ewing, Andrew J; Harvey, Jeremy N

    2015-07-28

    We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD3CN → DF + CD2CN reaction in CD3CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD3CN solvent, equilibrium power spectra of DF in CD3CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol(-1) localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD3CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational relaxation of the nascent DF results in a spectral

  5. Backbone dynamics of the EIAV-Tat protein from 15N relaxation studies

    International Nuclear Information System (INIS)

    Ejchart, A.; Herrmann, F.; Roesch, P.; Sticht, H.; Willbold, D.

    1994-01-01

    The work investigates the mobility of EIAV-Tat protein backbone by measuring the relaxation parameters of the 15 N nitrogens. High degree of the flexibility, non-typical of rigid, well structured proteins was shown

  6. Restricted lithium ion dynamics in PEO-based block copolymer electrolytes measured by high-field nuclear magnetic resonance relaxation

    Science.gov (United States)

    Huynh, Tan Vu; Messinger, Robert J.; Sarou-Kanian, Vincent; Fayon, Franck; Bouchet, Renaud; Deschamps, Michaël

    2017-10-01

    The intrinsic ionic conductivity of polyethylene oxide (PEO)-based block copolymer electrolytes is often assumed to be identical to the conductivity of the PEO homopolymer. Here, we use high-field 7Li nuclear magnetic resonance (NMR) relaxation and pulsed-field-gradient (PFG) NMR diffusion measurements to probe lithium ion dynamics over nanosecond and millisecond time scales in PEO and polystyrene (PS)-b-PEO-b-PS electrolytes containing the lithium salt LiTFSI. Variable-temperature longitudinal (T1) and transverse (T2) 7Li NMR relaxation rates were acquired at three magnetic field strengths and quantitatively analyzed for the first time at such fields, enabling us to distinguish two characteristic time scales that describe fluctuations of the 7Li nuclear electric quadrupolar interaction. Fast lithium motions [up to O (ns)] are essentially identical between the two polymer electrolytes, including sub-nanosecond vibrations and local fluctuations of the coordination polyhedra between lithium and nearby oxygen atoms. However, lithium dynamics over longer time scales [O (10 ns) and greater] are slower in the block copolymer compared to the homopolymer, as manifested experimentally by their different transverse 7Li NMR relaxation rates. Restricted dynamics and altered thermodynamic behavior of PEO chains anchored near PS domains likely explain these results.

  7. Nonlinear model dynamics for closed-system, constrained, maximal-entropy-generation relaxation by energy redistribution

    International Nuclear Information System (INIS)

    Beretta, Gian Paolo

    2006-01-01

    We discuss a nonlinear model for relaxation by energy redistribution within an isolated, closed system composed of noninteracting identical particles with energy levels e i with i=1,2,...,N. The time-dependent occupation probabilities p i (t) are assumed to obey the nonlinear rate equations τ dp i /dt=-p i ln p i -α(t)p i -β(t)e i p i where α(t) and β(t) are functionals of the p i (t)'s that maintain invariant the mean energy E=Σ i=1 N e i p i (t) and the normalization condition 1=Σ i=1 N p i (t). The entropy S(t)=-k B Σ i=1 N p i (t)ln p i (t) is a nondecreasing function of time until the initially nonzero occupation probabilities reach a Boltzmann-like canonical distribution over the occupied energy eigenstates. Initially zero occupation probabilities, instead, remain zero at all times. The solutions p i (t) of the rate equations are unique and well defined for arbitrary initial conditions p i (0) and for all times. The existence and uniqueness both forward and backward in time allows the reconstruction of the ancestral or primordial lowest entropy state. By casting the rate equations in terms not of the p i 's but of their positive square roots √(p i ), they unfold from the assumption that time evolution is at all times along the local direction of steepest entropy ascent or, equivalently, of maximal entropy generation. These rate equations have the same mathematical structure and basic features as the nonlinear dynamical equation proposed in a series of papers ending with G. P. Beretta, Found. Phys. 17, 365 (1987) and recently rediscovered by S. Gheorghiu-Svirschevski [Phys. Rev. A 63, 022105 (2001);63, 054102 (2001)]. Numerical results illustrate the features of the dynamics and the differences from the rate equations recently considered for the same problem by M. Lemanska and Z. Jaeger [Physica D 170, 72 (2002)]. We also interpret the functionals k B α(t) and k B β(t) as nonequilibrium generalizations of the thermodynamic-equilibrium Massieu

  8. Isotopic effects in vibrational relaxation dynamics of H on a Si(100) surface

    Science.gov (United States)

    Bouakline, F.; Lorenz, U.; Melani, G.; Paramonov, G. K.; Saalfrank, P.

    2017-10-01

    In a recent paper [U. Lorenz and P. Saalfrank, Chem. Phys. 482, 69 (2017)], we proposed a robust scheme to set up a system-bath model Hamiltonian, describing the coupling of adsorbate vibrations (system) to surface phonons (bath), from first principles. The method is based on an embedded cluster approach, using orthogonal coordinates for system and bath modes, and an anharmonic phononic expansion of the system-bath interaction up to second order. In this contribution, we use this model Hamiltonian to calculate vibrational relaxation rates of H-Si and D-Si bending modes, coupled to a fully H(D)-covered Si(100)-( 2 × 1 ) surface, at zero temperature. The D-Si bending mode has an anharmonic frequency lying inside the bath frequency spectrum, whereas the H-Si bending mode frequency is outside the bath Debye band. Therefore, in the present calculations, we only take into account one-phonon system-bath couplings for the D-Si system and both one- and two-phonon interaction terms in the case of H-Si. The computation of vibrational lifetimes is performed with two different approaches, namely, Fermi's golden rule, and a generalized Bixon-Jortner model built in a restricted vibrational space of the adsorbate-surface zeroth-order Hamiltonian. For D-Si, the Bixon-Jortner Hamiltonian can be solved by exact diagonalization, serving as a benchmark, whereas for H-Si, an iterative scheme based on the recursive residue generation method is applied, with excellent convergence properties. We found that the lifetimes obtained with perturbation theory, albeit having almost the same order of magnitude—a few hundred fs for D-Si and a couple of ps for H-Si—, are strongly dependent on the discretized numerical representation of the bath spectral density. On the other hand, the Bixon-Jortner model is free of such numerical deficiencies, therefore providing better estimates of vibrational relaxation rates, at a very low computational cost. The results obtained with this model clearly show

  9. RAVEN. Dynamic Event Tree Approach Level III Milestone

    Energy Technology Data Exchange (ETDEWEB)

    Alfonsi, Andrea [Idaho National Lab. (INL), Idaho Falls, ID (United States); Rabiti, Cristian [Idaho National Lab. (INL), Idaho Falls, ID (United States); Mandelli, Diego [Idaho National Lab. (INL), Idaho Falls, ID (United States); Cogliati, Joshua [Idaho National Lab. (INL), Idaho Falls, ID (United States); Kinoshita, Robert [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2014-07-01

    Conventional Event-Tree (ET) based methodologies are extensively used as tools to perform reliability and safety assessment of complex and critical engineering systems. One of the disadvantages of these methods is that timing/sequencing of events and system dynamics are not explicitly accounted for in the analysis. In order to overcome these limitations several techniques, also know as Dynamic Probabilistic Risk Assessment (DPRA), have been developed. Monte-Carlo (MC) and Dynamic Event Tree (DET) are two of the most widely used D-PRA methodologies to perform safety assessment of Nuclear Power Plants (NPP). In the past two years, the Idaho National Laboratory (INL) has developed its own tool to perform Dynamic PRA: RAVEN (Reactor Analysis and Virtual control ENvironment). RAVEN has been designed to perform two main tasks: 1) control logic driver for the new Thermo-Hydraulic code RELAP-7 and 2) post-processing tool. In the first task, RAVEN acts as a deterministic controller in which the set of control logic laws (user defined) monitors the RELAP-7 simulation and controls the activation of specific systems. Moreover, the control logic infrastructure is used to model stochastic events, such as components failures, and perform uncertainty propagation. Such stochastic modeling is deployed using both MC and DET algorithms. In the second task, RAVEN processes the large amount of data generated by RELAP-7 using data-mining based algorithms. This report focuses on the analysis of dynamic stochastic systems using the newly developed RAVEN DET capability. As an example, a DPRA analysis, using DET, of a simplified pressurized water reactor for a Station Black-Out (SBO) scenario is presented.

  10. RAVEN: Dynamic Event Tree Approach Level III Milestone

    Energy Technology Data Exchange (ETDEWEB)

    Andrea Alfonsi; Cristian Rabiti; Diego Mandelli; Joshua Cogliati; Robert Kinoshita

    2013-07-01

    Conventional Event-Tree (ET) based methodologies are extensively used as tools to perform reliability and safety assessment of complex and critical engineering systems. One of the disadvantages of these methods is that timing/sequencing of events and system dynamics are not explicitly accounted for in the analysis. In order to overcome these limitations several techniques, also know as Dynamic Probabilistic Risk Assessment (DPRA), have been developed. Monte-Carlo (MC) and Dynamic Event Tree (DET) are two of the most widely used D-PRA methodologies to perform safety assessment of Nuclear Power Plants (NPP). In the past two years, the Idaho National Laboratory (INL) has developed its own tool to perform Dynamic PRA: RAVEN (Reactor Analysis and Virtual control ENvironment). RAVEN has been designed to perform two main tasks: 1) control logic driver for the new Thermo-Hydraulic code RELAP-7 and 2) post-processing tool. In the first task, RAVEN acts as a deterministic controller in which the set of control logic laws (user defined) monitors the RELAP-7 simulation and controls the activation of specific systems. Moreover, the control logic infrastructure is used to model stochastic events, such as components failures, and perform uncertainty propagation. Such stochastic modeling is deployed using both MC and DET algorithms. In the second task, RAVEN processes the large amount of data generated by RELAP-7 using data-mining based algorithms. This report focuses on the analysis of dynamic stochastic systems using the newly developed RAVEN DET capability. As an example, a DPRA analysis, using DET, of a simplified pressurized water reactor for a Station Black-Out (SBO) scenario is presented.

  11. DYNAMIC AUTHORIZATION BASED ON THE HISTORY OF EVENTS

    Directory of Open Access Journals (Sweden)

    Maxim V. Baklanovsky

    2016-11-01

    Full Text Available The new paradigm in the field of access control systems with fuzzy authorization is proposed. Let there is a set of objects in a single data transmissionnetwork. The goal is to develop dynamic authorization protocol based on correctness of presentation of events (news occurred earlier in the network. We propose mathematical method that keeps compactly the history of events, neglects more distant and least-significant events, composes and verifies authorization data. The history of events is represented as vectors of numbers. Each vector is multiplied by several stochastic vectors. The result is known that if vectors of events are sparse, then by solving the problem of -optimization they can be restored with high accuracy. Results of experiments for vectors restoring have shown that the greater the number of stochastic vectors is, the better accuracy of restored vectors is observed. It has been established that the largest absolute components are restored earlier. Access control system with the proposed dynamic authorization method enables to compute fuzzy confidence coefficients in networks with frequently changing set of participants, mesh-networks, multi-agent systems.

  12. Spin dynamics of Mn12-acetate in the thermally activated tunneling regime: ac susceptibility and magnetization relaxation

    Science.gov (United States)

    Pohjola, Teemu; Schoeller, Herbert

    2000-12-01

    In this work, we study the spin dynamics of Mn12-acetate molecules in the regime of thermally assisted tunneling. In particular, we describe the system in the presence of a strong transverse magnetic field. Similar to recent experiments, the relaxation time/rate is found to display a series of resonances; their Lorentzian shape is found to stem from the tunneling. The dynamic susceptibility χ(ω) is calculated starting from the microscopic Hamiltonian and the resonant structure manifests itself also in χ(ω). Similar to recent results reported on another molecular magnet, Fe8, we find oscillations of the relaxation rate as a function of the transverse magnetic field when the field is directed along a hard axis of the molecules. This phenomenon is attributed to the interference of the geometrical or Berry phase. We propose susceptibility experiments to be carried out for strong transverse magnetic fields to study these oscillations and for a better resolution of the sharp satellite peaks in the relaxation rates.

  13. Substituent effects on the relaxation dynamics of furan, furfural and β-furfural: a combined theoretical and experimental approach.

    Science.gov (United States)

    Oesterling, Sven; Schalk, Oliver; Geng, Ting; Thomas, Richard D; Hansson, Tony; de Vivie-Riedle, Regina

    2017-01-18

    For the series furan, furfural and β-furfural we investigated the effect of substituents and their positioning on the photoinduced relaxation dynamics in a combined theoretical and experimental approach. Using time resolved photoelectron spectroscopy with a high intensity probe pulse, we can, for the first time, follow the whole deactivation process of furan through a two photon probe signal. Using the extended 2-electron 2-orbital model [Nenov et al., J. Chem. Phys., 2011, 135, 034304] we explain the formation of one central conical intersection and predict the influence of the aldehyde group of the derivatives on its geometry. This, as well as the relaxation mechanisms from photoexcitation to the final outcome was investigated using a variety of theoretical methods. Complete active space self consistent field was used for on-the-fly calculations while complete active space perturbation theory and coupled cluster theory were used to accurately describe critical configurations. Experiment and theory show the relaxation dynamics of furfural and β-furfural to be slowed down, and together they disclose an additional deactivation pathway, which is attributed to the n O lonepair state introduced with the aldehyde group.

  14. Modelling machine ensembles with discrete event dynamical system theory

    Science.gov (United States)

    Hunter, Dan

    1990-01-01

    Discrete Event Dynamical System (DEDS) theory can be utilized as a control strategy for future complex machine ensembles that will be required for in-space construction. The control strategy involves orchestrating a set of interactive submachines to perform a set of tasks for a given set of constraints such as minimum time, minimum energy, or maximum machine utilization. Machine ensembles can be hierarchically modeled as a global model that combines the operations of the individual submachines. These submachines are represented in the global model as local models. Local models, from the perspective of DEDS theory , are described by the following: a set of system and transition states, an event alphabet that portrays actions that takes a submachine from one state to another, an initial system state, a partial function that maps the current state and event alphabet to the next state, and the time required for the event to occur. Each submachine in the machine ensemble is presented by a unique local model. The global model combines the local models such that the local models can operate in parallel under the additional logistic and physical constraints due to submachine interactions. The global model is constructed from the states, events, event functions, and timing requirements of the local models. Supervisory control can be implemented in the global model by various methods such as task scheduling (open-loop control) or implementing a feedback DEDS controller (closed-loop control).

  15. X-ray transmission movies of spontaneous dynamic events

    International Nuclear Information System (INIS)

    Smilowitz, L.; Henson, B. F.; Holmes, M.; Novak, A.; Oschwald, D.; Dolgonos, P.; Qualls, B.

    2014-01-01

    We describe a new x-ray radiographic imaging system which allows for continuous x-ray transmission imaging of spontaneous dynamic events. We demonstrate this method on thermal explosions in three plastic bonded formulations of the energetic material octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine. We describe the x-ray imaging system and triggering developed to enable the continuous imaging of a thermal explosion

  16. Hysteresis in magnetic materials: the role of structural disorder, thermal relaxation, and dynamic effects

    International Nuclear Information System (INIS)

    Bertotti, G.; Basso, V.; Beatrice, C.; LoBue, M.; Magni, A.; Tiberto, P.

    2001-01-01

    An overview is given of the present understanding of hysteresis phenomena in magnetic materials. The problem is addressed from three approximate viewpoints: the connection between rate-independent hysteresis and micromagnetics; the modifications brought into this picture by thermal relaxation effects; the role of rate-dependent magnetization mechanisms, like eddy-current-damped domain wall motion

  17. Interfacial effects revealed by ultrafast relaxation dynamics in BiFeO 3 / YBa 2 Cu 3 O 7 bilayers

    KAUST Repository

    Springer, D.

    2016-02-12

    The temperature dependence of the relaxation dynamics in the bilayer thin film heterostructure composed of multiferroic BiFeO3 (BFO) and superconducting YBa2Cu3O7 (YBCO) grown on a (001) SrTiO3 substrate is studied by a time-resolved pump-probe technique, and compared with that of pure YBCO thin film grown under the same growth conditions. The superconductivity of YBCO is found to be retained in the heterostructure. We observe a speeding up of the YBCO recombination dynamics in the superconducting state of the heterostructure, and attribute it to the presence of weak ferromagnetism at the BFO/YBCO interface as observed in magnetization data. An extension of the Rothwarf-Taylor model is used to fit the ultrafast dynamics of BFO/YBCO, that models an increased quasiparticle occupation of the ferromagnetic interfacial layer in the superconducting state of YBCO.

  18. Interfacial effects revealed by ultrafast relaxation dynamics in BiFeO 3 / YBa 2 Cu 3 O 7 bilayers

    KAUST Repository

    Springer, D.; Nair, Saritha K.; He, Mi; Lu, C. L.; Cheong, S. A.; Wu, Tao; Panagopoulos, C.; Chia, Elbert E. M.; Zhu, Jian-Xin

    2016-01-01

    The temperature dependence of the relaxation dynamics in the bilayer thin film heterostructure composed of multiferroic BiFeO3 (BFO) and superconducting YBa2Cu3O7 (YBCO) grown on a (001) SrTiO3 substrate is studied by a time-resolved pump-probe technique, and compared with that of pure YBCO thin film grown under the same growth conditions. The superconductivity of YBCO is found to be retained in the heterostructure. We observe a speeding up of the YBCO recombination dynamics in the superconducting state of the heterostructure, and attribute it to the presence of weak ferromagnetism at the BFO/YBCO interface as observed in magnetization data. An extension of the Rothwarf-Taylor model is used to fit the ultrafast dynamics of BFO/YBCO, that models an increased quasiparticle occupation of the ferromagnetic interfacial layer in the superconducting state of YBCO.

  19. Investigation of effective impact parameters in electron-ion temperature relaxation via Particle-Particle Coulombic molecular dynamics

    Science.gov (United States)

    Zhao, Yinjian

    2017-09-01

    Aiming at a high simulation accuracy, a Particle-Particle (PP) Coulombic molecular dynamics model is implemented to study the electron-ion temperature relaxation. In this model, the Coulomb's law is directly applied in a bounded system with two cutoffs at both short and long length scales. By increasing the range between the two cutoffs, it is found that the relaxation rate deviates from the BPS theory and approaches the LS theory and the GMS theory. Also, the effective minimum and maximum impact parameters (bmin* and bmax*) are obtained. For the simulated plasma condition, bmin* is about 6.352 times smaller than the Landau length (bC), and bmax* is about 2 times larger than the Debye length (λD), where bC and λD are used in the LS theory. Surprisingly, the effective relaxation time obtained from the PP model is very close to the LS theory and the GMS theory, even though the effective Coulomb logarithm is two times greater than the one used in the LS theory. Besides, this work shows that the PP model (commonly known as computationally expensive) is becoming practicable via GPU parallel computing techniques.

  20. The dependence of shear modulus on dynamic relaxation and evolution of local structural heterogeneity in a metallic glass

    International Nuclear Information System (INIS)

    Huo, L.S.; Zeng, J.F.; Wang, W.H.; Liu, C.T.; Yang, Y.

    2013-01-01

    Starting from the nanoscale structural heterogeneities intrinsic to metallic glasses (MGs), here we show that there are two concurrent contributions to their microscale quasi-static shear modulus G I : one (μ) is related to the atomic bonding strength of solid-like regions and the other (G II ) to the change in the possible configurations of liquid-like regions (dynamic relaxation). Through carefully designed high-rate nanoscale indentation tests, a simple constitutive relation (μ = G I + G II ) is experimentally verified. On a fundamental level, our current work provides a structure–property correlation that may be applicable to a wide range of glassy materials

  1. Satellite-Enhanced Dynamical Downscaling of Extreme Events

    Science.gov (United States)

    Nunes, A.

    2015-12-01

    Severe weather events can be the triggers of environmental disasters in regions particularly susceptible to changes in hydrometeorological conditions. In that regard, the reconstruction of past extreme weather events can help in the assessment of vulnerability and risk mitigation actions. Using novel modeling approaches, dynamical downscaling of long-term integrations from global circulation models can be useful for risk analysis, providing more accurate climate information at regional scales. Originally developed at the National Centers for Environmental Prediction (NCEP), the Regional Spectral Model (RSM) is being used in the dynamical downscaling of global reanalysis, within the South American Hydroclimate Reconstruction Project. Here, RSM combines scale-selective bias correction with assimilation of satellite-based precipitation estimates to downscale extreme weather occurrences. Scale-selective bias correction is a method employed in the downscaling, similar to the spectral nudging technique, in which the downscaled solution develops in agreement with its coarse boundaries. Precipitation assimilation acts on modeled deep-convection, drives the land-surface variables, and therefore the hydrological cycle. During the downscaling of extreme events that took place in Brazil in recent years, RSM continuously assimilated NCEP Climate Prediction Center morphing technique precipitation rates. As a result, RSM performed better than its global (reanalysis) forcing, showing more consistent hydrometeorological fields compared with more sophisticated global reanalyses. Ultimately, RSM analyses might provide better-quality initial conditions for high-resolution numerical predictions in metropolitan areas, leading to more reliable short-term forecasting of severe local storms.

  2. Rotational dynamics account for pH-dependent relaxivities of PAMAM dendrimeric, Gd-based potential MRI contrast agents.

    Science.gov (United States)

    Laus, Sabrina; Sour, Angélique; Ruloff, Robert; Tóth, Eva; Merbach, André E

    2005-05-06

    The EPTPA5) chelate, which ensures fast water exchange in GdIII complexes, has been coupled to three different generations (5, 7, and 9) of polyamidoamine (PAMAM) dendrimers through benzylthiourea linkages (H5EPTPA = ethylenepropylenetriamine-N,N,N',N'',N''-pentaacetic acid). The proton relaxivities measured at pH 7.4 for the dendrimer complexes G5-(GdEPTPA)111, G7-(GdEPTPA)253 and G9-(GdEPTPA)1157 decrease with increasing temperature, indicating that, for the first time for dendrimers, slow water exchange does not limit relaxivity. At a given field and temperature, the relaxivity increases from G5 to G7, and then slightly decreases for G9 (r1 = 20.5, 28.3 and 27.9 mM(-1) s(-1), respectively, at 37 degrees C, 30 MHz). The relaxivities show a strong and reversible pH dependency for all three dendrimer complexes. This originates from the pH-dependent rotational dynamics of the dendrimer skeleton, which was evidenced by a combined variable-temperature and multiple-field 17O NMR and 1H relaxivity study performed at pH 6.0 and 9.9 on G5-(GdEPTPA)111. The longitudinal 17O and 1H relaxation rates of the dendrimeric complex are strongly pH-dependent, whereas they are not for the [Gd(EPTPA)(H2O)]2- monomer chelate. The longitudinal 17O and 1H relaxation rates have been analysed by the Lipari-Szabo spectral density functions and correlation times have been calculated for the global motion of the entire macromolecule (tau(gO)) and the local motion of the GdIII chelates on the surface (tau(lO)), correlated by means of an order parameter S2. The dendrimer complex G5-(GdEPTPA)111 has a considerably higher tau(gO) under acidic than under basic conditions (tau(298)gO = 4040 ps and 2950 ps, respectively), while local motions are less influenced by pH (tau(298)lO = 150 and 125 ps). The order parameter, characterizing the rigidity of the macromolecule, is also higher at pH 6.0 than at pH 9.9 (S2 = 0.43 vs 0.36, respectively). The pH dependence of the global correlation time can be

  3. Ultrafast Relaxation Dynamics of the Optical Nonlinearity in Nanometric Gold Particles

    International Nuclear Information System (INIS)

    Puech, K.; Blau, W.J.

    2001-01-01

    Measurements of the resonantly enhanced, third-order nonlinear optical properties of gold nanostructures exhibiting reduced charge-carrier mobility in three dimensions were performed with a number of ultrafast nonlinear optical techniques. The size of the particles investigated was varied between 5 and 40 nm. The magnitude of the nonlinear susceptibility is of the order of 5.10 -16 m 2 V -2 at resonance and an order of magnitude lower off-resonance. The response time of the nonlinearity is found to be extremely fast and could not be resolved in the experiments undertaken here. The only statement that can be made in this regard is that the phase relaxation time is of the order of or less than 20 fs while the energy relaxation time is of the order of or less than 75 fs

  4. Applications and limitations of electron correlation microscopy to study relaxation dynamics in supercooled liquids

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Pei; He, Li [Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, WI 53706 (United States); Besser, Matthew F. [Materials Science and Engineering, Ames Laboratory, Iowa State University, Ames, IA 50011 (United States); Liu, Ze; Schroers, Jan [Department of Mechanical Engineering and Materials Science, Yale University, New Haven, CT 06511 (United States); Kramer, Matthew J. [Materials Science and Engineering, Ames Laboratory, Iowa State University, Ames, IA 50011 (United States); Voyles, Paul M., E-mail: paul.voyles@wisc.edu [Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, WI 53706 (United States)

    2017-07-15

    Electron correlation microscopy (ECM) is a way to measure structural relaxation times, τ, of liquids with nanometer-scale spatial resolution using coherent electron scattering equivalent of photon correlation spectroscopy. We have applied ECM with a 3.5 nm diameter probe to Pt{sub 57.5}Cu{sub 14.7}Ni{sub 5.3}P{sub 22.5} amorphous nanorods and Pd{sub 40}Ni{sub 40}P{sub 20} bulk metallic glass (BMG) heated inside the STEM into the supercooled liquid region. These data demonstrate that the ECM technique is limited by the characteristics of the time series, which must be at least 40τ to obtain a well-converged correlation function g{sub 2}(t), and the time per frame, which must be less than 0.1τ to obtain sufficient sampling. A high-speed direct electron camera enables fast acquisition and affords reliable g{sub 2}(t) data even with low signal per frame. - Highlights: • Electron Correlation Microscopy (ECM) technique was applied to measure structural relaxation times of supercooled liquids in metallic glass. • In Pt{sub 57.5}Cu{sub 14.7}Ni{sub 5.3}P{sub 22.5} nanowire, τ and β decreases over the measured supercooled liquid regime. • In Pd{sub 40}Ni{sub 40}P{sub 20} bulk alloy, τ decreases from T{sub g}+28 °C to T{sub g}+48 °C, then increases as the temperature approaches T{sub x}. • ECM experiment requires a length of time series at least 40 times the characteristic relaxation time and a time per diffraction pattern at most 0.1 times the relaxation time.

  5. Rotational and translational dynamics and their relation to hydrogen bond lifetimes in an ionic liquid by means of NMR relaxation time experiments and molecular dynamics simulation

    Science.gov (United States)

    Strate, Anne; Neumann, Jan; Overbeck, Viviane; Bonsa, Anne-Marie; Michalik, Dirk; Paschek, Dietmar; Ludwig, Ralf

    2018-05-01

    We report a concerted theoretical and experimental effort to determine the reorientational dynamics as well as hydrogen bond lifetimes for the doubly ionic hydrogen bond +OH⋯O- in the ionic liquid (2-hydroxyethyl)trimethylammonium bis(trifluoromethylsulfonyl)imide [Ch][NTf2] by using a combination of NMR relaxation time experiments, density functional theory (DFT) calculations, and molecular dynamics (MD) simulations. Due to fast proton exchange, the determination of rotational correlation times is challenging. For molecular liquids, 17O-enhanced proton relaxation time experiments have been used to determine the rotational correlation times for the OH vectors in water or alcohols. As an alternative to those expensive isotopic substitution experiments, we employed a recently introduced approach which is providing access to the rotational dynamics from a single NMR deuteron quadrupolar relaxation time experiment. Here, the deuteron quadrupole coupling constants (DQCCs) are obtained from a relation between the DQCC and the δ1H proton chemical shifts determined from a set of DFT calculated clusters in combination with experimentally determined proton chemical shifts. The NMR-obtained rotational correlation times were compared to those obtained from MD simulations and then related to viscosities for testing the applicability of popular hydrodynamic models. In addition, hydrogen bond lifetimes were derived, using hydrogen bond population correlation functions computed from MD simulations. Here, two different time domains were observed: The short-time contributions to the hydrogen lifetimes and the reorientational correlation times have roughly the same size and are located in the picosecond range, whereas the long-time contributions decay with relaxation times in the nanosecond regime and are related to rather slow diffusion processes. The computed average hydrogen bond lifetime is dominated by the long-time process, highlighting the importance and longevity of

  6. Quantum efficiency and excited-state relaxation dynamics in neodymium-doped phosphate laser glasses

    International Nuclear Information System (INIS)

    Caird, J.A.; Ramponi, A.J.; Staver, P.R.

    1991-01-01

    Radiometrically calibrated spectroscopic techniques employing an integrating-sphere detection system have been used to determine the fluorescence quantum efficiencies for two commercially available Nd 3+ -doped phosphate laser glasses, LG-750 and LG-760. Quantum efficiencies and fluorescence lifetimes were measured for samples with various neodymium concentrations. It is shown that the effects of concentration quenching are accurately described when both resonant nonradiative excitation hopping (the Burshtein model) and annihilation by cross relaxation are accounted for by Foerster--Dexter dipole--dipole energy-transfer theory. The Foerster--Dexter critical range for nonradiative excitation hopping was found to be R DD =11 A, while the critical range for cross relaxation was close to R DA =4 A in these glasses. The quantum efficiency at low Nd 3+ concentrations was (92±5)%, implying a nonradiative relaxation rate of 210±150 s -1 for isolated ions. Improved values for the radiative lifetimes and the stimulated emission cross sections for these glasses were also deduced from the measurements

  7. Phosphorus Dynamics along River Continuum during Typhoon Storm Events

    Directory of Open Access Journals (Sweden)

    Ming Fai Chow

    2017-07-01

    Full Text Available Information on riverine phosphorus (P dynamics during typhoon storm events remains scarce in subtropical regions. Thus, this study investigates the spatial and temporal dynamics of riverine phosphorus in a headwater catchment during three typhoon events. Continuous sampling (3 h intervals of stormwater samples and discharge data were conducted at five locations, which represent the upstream, transitional zone, and downstream areas of the main inflow river. The results revealed that the average event mean concentrations (EMCs for total dissolved phosphorus (TDP and particulate phosphorus (PP in the upstream catchment of Fei-Tsui reservoir were 15.66 μg/L and 11.94 μg/L, respectively. There was at least a 1.3-fold increase in flow-weighted concentrations of TDP and PP from the upper to lower reaches of the main stream. PP and TDP were transported either in clockwise or anticlockwise directions, depending on storm intensity and source. The transport of TDP was primarily regulated by the subsurface flow during the storm event. Soluble reactive phosphorus (SRP contributes more than 50% of the TDP load in moderate storms, while extreme storms supply a greater dissolved organic phosphorus (DOP load into the stream. TDP accounted for approximately 50% of TP load during typhoon storms. Mobilization of all P forms was observed from upstream to downstream of the river, except for DOP. A decrease of DOP load on passing downstream may reflect the change in phosphorus form along the river continuum. Peak discharge and antecedent dry days are correlated positively with P fluxes, indicating that river bank erosion and re-suspension of within-channel sediment are the dominant pathways of P during typhoon storm periods.

  8. High speed motion neutron radiography of dynamic events

    International Nuclear Information System (INIS)

    Robinson, A.H.; Barton, J.P.

    1983-01-01

    The development of a technique that permits neutron radiographic analysis of dynamic processes over a period lasting from one to ten milliseconds is described. The key to the technique is the use of a neutron pulse broad enough to span the duration of a brief event and intense enough to allow recording of the results on a high-speed movie film at frame rates of 10,000 frames/sec. Some typical application results in ballistic studies and two-phase flow are shown and discussed. The use of scintillator screens in the high-speed motion neutron radiography system is summarized and the statistical limitations of the technique are discussed

  9. Excitations and relaxation dynamics in multiferroic GeV4S8 studied by terahertz and dielectric spectroscopy

    Science.gov (United States)

    Reschke, S.; Wang, Zhe; Mayr, F.; Ruff, E.; Lunkenheimer, P.; Tsurkan, V.; Loidl, A.

    2017-10-01

    We report on THz time-domain spectroscopy on multiferroic GeV4S8 , which undergoes orbital ordering at a Jahn-Teller transition at 30.5 K and exhibits antiferromagnetic order below 14.6 K. The THz experiments are complemented by dielectric experiments at audio and radio frequencies. We identify a low-lying excitation close to 0.5 THz, which is only weakly temperature dependent and probably corresponds to a molecular excitation within the electronic level scheme of the V4 clusters. In addition, we detect complex temperature-dependent behavior of a low-lying phononic excitation, closely linked to the onset of orbitally driven ferroelectricity. In the high-temperature cubic phase, which is paramagnetic and orbitally disordered, this excitation is of relaxational character becomes an overdamped Lorentzian mode in the orbitally ordered phase below the Jahn-Teller transition, and finally appears as well-defined phonon excitation in the antiferromagnetic state. Abrupt changes in the real and imaginary parts of the complex dielectric permittivity show that orbital ordering appears via a structural phase transition with strong first-order character and that the onset of antiferromagnetic order is accompanied by significant structural changes, which are of first-order character, too. Dielectric spectroscopy documents that at low frequencies, significant dipolar relaxations are present in the orbitally ordered, paramagnetic phase only. In contrast to the closely related GaV4S8 , this relaxation dynamics that most likely mirrors coupled orbital and polar fluctuations does not seem to be related to the dynamic processes detected in the THz regime.

  10. Event-by-Event Continuous Respiratory Motion Correction for Dynamic PET Imaging.

    Science.gov (United States)

    Yu, Yunhan; Chan, Chung; Ma, Tianyu; Liu, Yaqiang; Gallezot, Jean-Dominique; Naganawa, Mika; Kelada, Olivia J; Germino, Mary; Sinusas, Albert J; Carson, Richard E; Liu, Chi

    2016-07-01

    Existing respiratory motion-correction methods are applied only to static PET imaging. We have previously developed an event-by-event respiratory motion-correction method with correlations between internal organ motion and external respiratory signals (INTEX). This method is uniquely appropriate for dynamic imaging because it corrects motion for each time point. In this study, we applied INTEX to human dynamic PET studies with various tracers and investigated the impact on kinetic parameter estimation. The use of 3 tracers-a myocardial perfusion tracer, (82)Rb (n = 7); a pancreatic β-cell tracer, (18)F-FP(+)DTBZ (n = 4); and a tumor hypoxia tracer, (18)F-fluoromisonidazole ((18)F-FMISO) (n = 1)-was investigated in a study of 12 human subjects. Both rest and stress studies were performed for (82)Rb. The Anzai belt system was used to record respiratory motion. Three-dimensional internal organ motion in high temporal resolution was calculated by INTEX to guide event-by-event respiratory motion correction of target organs in each dynamic frame. Time-activity curves of regions of interest drawn based on end-expiration PET images were obtained. For (82)Rb studies, K1 was obtained with a 1-tissue model using a left-ventricle input function. Rest-stress myocardial blood flow (MBF) and coronary flow reserve (CFR) were determined. For (18)F-FP(+)DTBZ studies, the total volume of distribution was estimated with arterial input functions using the multilinear analysis 1 method. For the (18)F-FMISO study, the net uptake rate Ki was obtained with a 2-tissue irreversible model using a left-ventricle input function. All parameters were compared with the values derived without motion correction. With INTEX, K1 and MBF increased by 10% ± 12% and 15% ± 19%, respectively, for (82)Rb stress studies. CFR increased by 19% ± 21%. For studies with motion amplitudes greater than 8 mm (n = 3), K1, MBF, and CFR increased by 20% ± 12%, 30% ± 20%, and 34% ± 23%, respectively. For (82)Rb

  11. Dynamics and relaxation of charge carriers in poly(methylmethacrylate)-lithium salt based polymer electrolytes plasticized with ethylene carbonate

    Science.gov (United States)

    Pal, P.; Ghosh, A.

    2016-07-01

    In this paper, we have studied the dynamics and relaxation of charge carriers in poly(methylmethacrylate)-lithium salt based polymer electrolytes plasticized with ethylene carbonate. Structural and thermal properties have been examined using X-ray diffraction and differential scanning calorimetry, respectively. We have analyzed the complex conductivity spectra by using power law model coupled with the contribution of electrode polarization at low frequencies and high temperatures. The temperature dependence of the ionic conductivity and crossover frequency exhibits Vogel-Tammann-Fulcher type behavior indicating a strong coupling between the ionic and the polymer chain segmental motions. The scaling of the ac conductivity indicates that relaxation dynamics of charge carriers follows a common mechanism for all temperatures and ethylene carbonate concentrations. The analysis of the ac conductivity also shows the existence of a nearly constant loss in these polymer electrolytes at low temperatures and high frequencies. The fraction of free anions and ion pairs in polymer electrolyte have been obtained from the analysis of Fourier transform infrared spectra. It is observed that these quantities influence the behavior of the composition dependence of the ionic conductivity.

  12. Dynamics and relaxation of charge carriers in poly(methylmethacrylate)-lithium salt based polymer electrolytes plasticized with ethylene carbonate

    Energy Technology Data Exchange (ETDEWEB)

    Pal, P.; Ghosh, A., E-mail: sspag@iacs.res.in [Department of Solid State Physics, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India)

    2016-07-28

    In this paper, we have studied the dynamics and relaxation of charge carriers in poly(methylmethacrylate)-lithium salt based polymer electrolytes plasticized with ethylene carbonate. Structural and thermal properties have been examined using X-ray diffraction and differential scanning calorimetry, respectively. We have analyzed the complex conductivity spectra by using power law model coupled with the contribution of electrode polarization at low frequencies and high temperatures. The temperature dependence of the ionic conductivity and crossover frequency exhibits Vogel-Tammann-Fulcher type behavior indicating a strong coupling between the ionic and the polymer chain segmental motions. The scaling of the ac conductivity indicates that relaxation dynamics of charge carriers follows a common mechanism for all temperatures and ethylene carbonate concentrations. The analysis of the ac conductivity also shows the existence of a nearly constant loss in these polymer electrolytes at low temperatures and high frequencies. The fraction of free anions and ion pairs in polymer electrolyte have been obtained from the analysis of Fourier transform infrared spectra. It is observed that these quantities influence the behavior of the composition dependence of the ionic conductivity.

  13. Discrete event dynamic system (DES)-based modeling for dynamic material flow in the pyroprocess

    International Nuclear Information System (INIS)

    Lee, Hyo Jik; Kim, Kiho; Kim, Ho Dong; Lee, Han Soo

    2011-01-01

    A modeling and simulation methodology was proposed in order to implement the dynamic material flow of the pyroprocess. Since the static mass balance provides the limited information on the material flow, it is hard to predict dynamic behavior according to event. Therefore, a discrete event system (DES)-based model named, PyroFlow, was developed at the Korea Atomic Energy Research Institute (KAERI). PyroFlow is able to calculate dynamic mass balance and also show various dynamic operational results in real time. By using PyroFlow, it is easy to rapidly predict unforeseeable results, such as throughput in unit process, accumulated product in buffer and operation status. As preliminary simulations, bottleneck analyses in the pyroprocess were carried out and consequently it was presented that operation strategy had influence on the productivity of the pyroprocess.

  14. Picosecond Fluorescence Dynamics of Tryptophan and 5-Fluorotryptophan in Monellin : Slow Water-Protein Relaxation Unmasked

    NARCIS (Netherlands)

    Xu, Jianhua; Chen, Binbin; Callis, Patrik Robert; Muiño, Pedro L; Rozeboom, Henriette J; Broos, Jaap; Toptygin, Dmitri; Brand, Ludwig; Knutson, Jay R

    2015-01-01

    Time Dependent Fluorescence Stokes (emission wavelength) Shifts (TDFSS) from tryptophan (Trp) following sub-picosecond excitation are increasingly used to investigate protein dynamics, most recently enabling active research interest into water dynamics near the surface of proteins. Unlike many

  15. Crossover from Rouse dynamics to the α-relaxation in poly(vinyl ...

    Indian Academy of Sciences (India)

    directly at the structure factor peak [1–3], is subject to the same universalities as ... Recently, molecular dynamics simulations [11] as well as mode coupling theory ..... appears to relate to the internal dynamics within the Gaussian blobs.

  16. A Dynamic Approach to Modeling Dependence Between Human Failure Events

    Energy Technology Data Exchange (ETDEWEB)

    Boring, Ronald Laurids [Idaho National Laboratory

    2015-09-01

    In practice, most HRA methods use direct dependence from THERP—the notion that error be- gets error, and one human failure event (HFE) may increase the likelihood of subsequent HFEs. In this paper, we approach dependence from a simulation perspective in which the effects of human errors are dynamically modeled. There are three key concepts that play into this modeling: (1) Errors are driven by performance shaping factors (PSFs). In this context, the error propagation is not a result of the presence of an HFE yielding overall increases in subsequent HFEs. Rather, it is shared PSFs that cause dependence. (2) PSFs have qualities of lag and latency. These two qualities are not currently considered in HRA methods that use PSFs. Yet, to model the effects of PSFs, it is not simply a matter of identifying the discrete effects of a particular PSF on performance. The effects of PSFs must be considered temporally, as the PSFs will have a range of effects across the event sequence. (3) Finally, there is the concept of error spilling. When PSFs are activated, they not only have temporal effects but also lateral effects on other PSFs, leading to emergent errors. This paper presents the framework for tying together these dynamic dependence concepts.

  17. Relaxation dynamics of femtosecond-laser-induced temperature modulation on the surfaces of metals and semiconductors

    Czech Academy of Sciences Publication Activity Database

    Levy, Yoann; Derrien, Thibault; Bulgakova, Nadezhda M.; Gurevich, E.L.; Mocek, Tomáš

    2016-01-01

    Roč. 374, Jun (2016), s. 157-164 ISSN 0169-4332 R&D Projects: GA MŠk ED2.1.00/01.0027 Grant - others:HILASE(XE) CZ.1.05/2.1.00/01.0027; OP VK 6(XE) CZ.1.07/2.3.00/20.0143; OP VK 6(XE) CZ.1.07/2.3.00/20.0143 Institutional support: RVO:68378271 Keywords : LIPSS * modulated temperature relaxation * two-temperature model * nano-melting Subject RIV: BH - Optics, Masers, Lasers Impact factor: 3.387, year: 2016

  18. Structural and dynamical characterization of piroxicam by 1H- and 13C-NMR relaxation studies

    International Nuclear Information System (INIS)

    Rossi, C.; Casini, A.; Picchi, M.P.; Laschi, F.; Calabria, A.; Marcolongo, R.

    1987-01-01

    Carbon spin-lattice relaxation rates of anti-inflammatory drug, piroxicam, have been measured. These results have been used in determining the reorientational rates of the proton carbon vectors. An analysis of internal motions within the pyridinyl moiety of piroxicam was carried out. Selective proton-carbon nuclear Overhauser effect (NOE) measurements were made in order to determine the solution structure of piroxicam. The effect of indirect NOE arising from exchangeable protons has been analyzed and considered. 20 refs.; 4 figs.; 3 tabs

  19. Analysis of the backbone dynamics of capsicein using 15N NMR relaxation rate measurements

    International Nuclear Information System (INIS)

    Van Heijenoort, C.; Bouaziz, S.; Guittet, E.

    1994-01-01

    15 N relaxation times T 1 and T 1ρ , and heteronuclear steady state nOes, were measured on capsicein, a 98 residue protein. The classical analysis of these data using directly the Lipari and Szabo formalism was shown to give incoherent results, probably due to the presence of a slow exchange along the whole protein. This global exchange broadening made the usual preliminary evaluation of the overall correlation time of capsicein using the Lipari and Szabo expression for the spectral densities impossible. (authors). 2 figs., 23 refs

  20. Parallel Stochastic discrete event simulation of calcium dynamics in neuron.

    Science.gov (United States)

    Ishlam Patoary, Mohammad Nazrul; Tropper, Carl; McDougal, Robert A; Zhongwei, Lin; Lytton, William W

    2017-09-26

    The intra-cellular calcium signaling pathways of a neuron depends on both biochemical reactions and diffusions. Some quasi-isolated compartments (e.g. spines) are so small and calcium concentrations are so low that one extra molecule diffusing in by chance can make a nontrivial difference in its concentration (percentage-wise). These rare events can affect dynamics discretely in such way that they cannot be evaluated by a deterministic simulation. Stochastic models of such a system provide a more detailed understanding of these systems than existing deterministic models because they capture their behavior at a molecular level. Our research focuses on the development of a high performance parallel discrete event simulation environment, Neuron Time Warp (NTW), which is intended for use in the parallel simulation of stochastic reaction-diffusion systems such as intra-calcium signaling. NTW is integrated with NEURON, a simulator which is widely used within the neuroscience community. We simulate two models, a calcium buffer and a calcium wave model. The calcium buffer model is employed in order to verify the correctness and performance of NTW by comparing it to a serial deterministic simulation in NEURON. We also derived a discrete event calcium wave model from a deterministic model using the stochastic IP3R structure.

  1. ALADDIN: a neural model for event classification in dynamic processes

    International Nuclear Information System (INIS)

    Roverso, Davide

    1998-02-01

    ALADDIN is a prototype system which combines fuzzy clustering techniques and artificial neural network (ANN) models in a novel approach to the problem of classifying events in dynamic processes. The main motivation for the development of such a system derived originally from the problem of finding new principled methods to perform alarm structuring/suppression in a nuclear power plant (NPP) alarm system. One such method consists in basing the alarm structuring/suppression on a fast recognition of the event generating the alarms, so that a subset of alarms sufficient to efficiently handle the current fault can be selected to be presented to the operator, minimizing in this way the operator's workload in a potentially stressful situation. The scope of application of a system like ALADDIN goes however beyond alarm handling, to include diagnostic tasks in general. The eventual application of the system to domains other than NPPs was also taken into special consideration during the design phase. In this document we report on the first phase of the ALADDIN project which consisted mainly in a comparative study of a series of ANN-based approaches to event classification, and on the proposal of a first system prototype which is to undergo further tests and, eventually, be integrated in existing alarm, diagnosis, and accident management systems such as CASH, IDS, and CAMS. (author)

  2. Crossover from Rouse dynamics to the α- relaxation in a poly(vinyl ethylene)

    International Nuclear Information System (INIS)

    Arbe, A.; Colmenero, J.; Richter, D.; Monkenbusch, M.; Willner, L.; Farago, B.

    2004-01-01

    By means of neutron spin echo (NSE) we have explored the dynamics of poly(vinyl ethylene) on length scales covering Rouse dynamics and below. The results establish the simultaneous existence of a generic sublinear diffusion regime which underlies the α-process in addition to the Rouse process. Both regimes are separated by a well- defined dynamic crossover. From that the size of the Gaussian blobs making up the Rouse model is determined directly. The glassy dynamics may thus be identified with subdiffusive motions occurring within these Gaussian blobs. (author)

  3. Collective dynamic dipole moment and orientation fluctuations, cooperative hydrogen bond relaxations, and their connections to dielectric relaxation in ionic acetamide deep eutectics: Microscopic insight from simulations

    Energy Technology Data Exchange (ETDEWEB)

    Das, Suman [Chemical, Biological and Macromolecular Sciences, S. N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Biswas, Ranjit, E-mail: ranjit@bose.res.in, E-mail: biswaroop.mukherjee@gmail.com [Chemical, Biological and Macromolecular Sciences, S. N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Thematic Unit for Excellence – Computational Materials Science, S. N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Mukherjee, Biswaroop, E-mail: ranjit@bose.res.in, E-mail: biswaroop.mukherjee@gmail.com [Thematic Unit for Excellence – Computational Materials Science, S. N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India)

    2016-08-28

    The paper reports a detailed simulation study on collective reorientational relaxation, cooperative hydrogen bond (H-bond) fluctuations, and their connections to dielectric relaxation (DR) in deep eutectic solvents made of acetamide and three uni-univalent electrolytes, lithium nitrate (LiNO{sub 3}), lithium bromide (LiBr), and lithium perchlorate (LiClO{sub 4}). Because cooperative H-bond fluctuations and ion migration complicate the straightforward interpretation of measured DR timescales in terms of molecular dipolar rotations for these conducting media which support extensive intra- and inter-species H-bonding, one needs to separate out the individual components from the overall relaxation for examining the microscopic origin of various timescales. The present study does so and finds that reorientation of ion-complexed acetamide molecules generates relaxation timescales that are in sub-nanosecond to nanosecond range. This explains in molecular terms the nanosecond timescales reported by recent giga-Hertz DR measurements. Interestingly, the simulated survival timescale for the acetamide-Li{sup +} complex has been found to be a few tens of nanosecond, suggesting such a cation-complexed species may be responsible for a similar timescale reported by mega-Hertz DR measurements of acetamide/potassium thiocyanate deep eutectics near room temperature. The issue of collective versus single particle relaxation is discussed, and jump waiting time distributions are determined. Dependence on anion-identity in each of the cases has been examined. In short, the present study demonstrates that assumption of nano-sized domain formation is not required for explaining the DR detected nanosecond and longer timescales in these media.

  4. 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.

  5. Relaxation dynamics of magnetization transitions in synthetic antiferromagnet with perpendicular anisotropy

    Science.gov (United States)

    Talantsev, A.; Lu, Y.; Fache, T.; Lavanant, M.; Hamadeh, A.; Aristov, A.; Koplak, O.; Morgunov, R.; Mangin, S.

    2018-04-01

    Two synthetic antiferromagnet bilayer systems with strong perpendicular anisotropy CoFeB/Ta/CoFeB and Pt/Co/Ir/Co/Pt have been grown using sputtering techniques. For both systems two types of magnetization transitions have been studied. The first one concerns transitions from a state where magnetizations of the two magnetic layers are parallel (P state) to a state where magnetizations of the two layers are aligned antiparallel (AP state). The second one concerns transitions between the two possible antiparallel alignments (AP+  to AP-). For both systems and both transitions after-effect measurements can be understood in the frame of nucleation—propagation model. Time derivative analysis of magnetic relaxation curves and mapping of the first order reversal curves at different temperature allowed us to demonstrate the presence of different pinning centers, which number can be controlled by magnetic field and temperature.

  6. Attractors of relaxation discrete-time systems with chaotic dynamics on a fast time scale

    International Nuclear Information System (INIS)

    Maslennikov, Oleg V.; Nekorkin, Vladimir I.

    2016-01-01

    In this work, a new type of relaxation systems is considered. Their prominent feature is that they comprise two distinct epochs, one is slow regular motion and another is fast chaotic motion. Unlike traditionally studied slow-fast systems that have smooth manifolds of slow motions in the phase space and fast trajectories between them, in this new type one observes, apart the same geometric objects, areas of transient chaos. Alternating periods of slow regular motions and fast chaotic ones as well as transitions between them result in a specific chaotic attractor with chaos on a fast time scale. We formulate basic properties of such attractors in the framework of discrete-time systems and consider several examples. Finally, we provide an important application of such systems, the neuronal electrical activity in the form of chaotic spike-burst oscillations.

  7. 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.

  8. Dielectric dispersion, relaxation dynamics and thermodynamic studies of Beta-Alanine in aqueous solutions using picoseconds time domain reflectometry

    Science.gov (United States)

    Vinoth, K.; Ganesh, T.; Senthilkumar, P.; Sylvester, M. Maria; Karunakaran, D. J. S. Anand; Hudge, Praveen; Kumbharkhane, A. C.

    2017-09-01

    The aqueous solution of beta-alanine characterised and studied by their dispersive dielectric properties and relaxation process in the frequency domain of 10×106 Hz to 30×109 Hz with varying concentration in mole fractions and temperatures. The molecular interaction and dielectric parameters are discussed in terms of counter-ion concentration theory. The static permittivity (ε0), high frequency dielectric permittivity (ε∞) and excess dielectric parameters are accomplished by frequency depended physical properties and relaxation time (τ). Molecular orientation, ordering and correlation factors are reported as confirmation of intermolecular interactions. Ionic conductivity and thermo dynamical properties are concluded with the behaviour of the mixture constituents. Solute-solvent, solute-solute interaction, structure making and breaking abilities of the solute in aqueous medium are interpreted. Fourier Transform Infrared (FTIR) spectra of beta- alanine single crystal and liquid state have been studied. The 13C Nuclear Magnetic Resonance (NMR) spectral studies give the signature for resonating frequencies and chemical shifts of beta-alanine.

  9. Modeling energy market dynamics using discrete event system simulation

    International Nuclear Information System (INIS)

    Gutierrez-Alcaraz, G.; Sheble, G.B.

    2009-01-01

    This paper proposes the use of Discrete Event System Simulation to study the interactions among fuel and electricity markets and consumers, and the decision-making processes of fuel companies (FUELCOs), generation companies (GENCOs), and consumers in a simple artificial energy market. In reality, since markets can reach a stable equilibrium or fail, it is important to observe how they behave in a dynamic framework. We consider a Nash-Cournot model in which marketers are depicted as Nash-Cournot players that determine supply to meet end-use consumption. Detailed engineering considerations such as transportation network flows are omitted, because the focus is upon the selection and use of appropriate market models to provide answers to policy questions. (author)

  10. Relaxation dynamics of the conductive processes for PbNb2O6 ferroelectric ceramics in the frequency and time domain

    International Nuclear Information System (INIS)

    Gonzalez, R L; Leyet, Y; Guerrero, F; Guerra, J de Los S; Venet, M; Eiras, J A

    2007-01-01

    The relaxation dynamics of the conductive process present in PbNb 2 O 6 piezoelectric ceramics was investigated. A relaxation function in the time domain, Φ(t), was found from the frequency dependence of the dielectric modulus (imaginary component, M'') by using a relaxation function in the frequency domain, F*(ω). The best relaxation function, F*(ω), was found to be a Cole-Cole distribution function, in which relaxation characteristic parameters, such as α and τ CC , are involved. On the other hand, the relaxation function, Φ(t), obtained by the time domain method, was found to be a Kohlrausch-Williams-Watts (KWW) function type. The thermal evolution of the characteristics parameters of the KWW function (β and τ*) was analysed. The values of the activation energy (E a ), obtained in the whole investigated temperature interval, suggest the existence of a relaxation mechanism (a conductive process), which may be interpreted by an ion hopping between neighbouring sites within the crystalline lattice. The results are corroborated with the formalism of the AC conductivity

  11. Dynamic vegetation modeling of tropical biomes during Heinrich events

    Science.gov (United States)

    Handiani, Dian Noor; Paul, André; Dupont, Lydie M.

    2010-05-01

    Heinrich events are thought to be associated with a slowdown of the Atlantic Meridional Overturning Circulation (AMOC), which in turn would lead to a cooling of the North Atlantic Ocean and a warming of the South Atlantic Ocean (the "bipolar seesaw" hypothesis). The accompanying abrupt climate changes occurred not only in the ocean but also on the continents. Changes were strongest in the Northern Hemisphere but were registered in the tropics as well. Pollen data from Angola and Brazil showed that climate changes during Heinrich events affected vegetation patterns very differently in eastern South America and western Africa. To understand the differential response in the terrestrial tropics, we studied the vegetation changes during Heinrich events by using a dynamic global vegetation model (TRIFFID) as part of the University of Victoria (UVic) Earth System-Climate Model (ESCM). The model results show a bipolar seesaw pattern in temperature and precipitation during a near-collapse of the AMOC. The succession in plant-functional types (PFTs) showed changes from forest to shrubs to desert, including spreading desert in northwest Africa, retreating broadleaf trees in West Africa and northern South America, but advancing broadleaf trees in Brazil. The pattern is explained by a southward shift of the tropical rainbelt resulting in a strong decrease in precipitation over northwest and West Africa as well as in northern South America, but an increase in precipitation in eastern Brazil. To facilitate the comparison between modeled vegetation results with pollen data, we diagnosed the distribution of biomes from the PFT coverage and the simulated model climate. The biome distribution was computed for Heinrich event 1 and the Last Glacial Maximum as well as for pre-industrial conditions. We used a classification of biomes in terms of "mega-biomes", which were defined following a scheme originally proposed by BIOME 6000 (v 4.2). The biome distribution of the Sahel region

  12. Backbone dynamics of free barnase and its complex with barstar determined by 15N NMR relaxation study

    International Nuclear Information System (INIS)

    Sahu, Sarata C.; Bhuyan, Abani K.; Udgaonkar, Jayant B.; Hosur, R.V.

    2000-01-01

    Backbone dynamics of uniformly 15 N-labeled free barnase and its complex with unlabelled barstar have been studied at 40 deg. C, pH 6.6, using 15 N relaxation data obtained from proton-detected 2D { 1 H}- 15 N NMR spectroscopy. 15 N spin-lattice relaxation rate constants (R 1 ), spin-spin relaxation rate constants (R 2 ), and steady-state heteronuclear { 1 H}- 15 N NOEs have been measured at a magnetic field strength of 14.1 Tesla for 91 residues of free barnase and for 90 residues out of a total of 106 in the complex (excluding three prolines and the N-terminal residue) backbone amide 15 N sites of barnase. The primary relaxation data for both the cases have been analyzed in the framework of the model-free formalism using both isotropic and axially symmetric models of the rotational diffusion tensor. As per the latter, the overall rotational correlation times (τ m ) are 5.0 and 9.5 ns for the free and complexed barnase, respectively. The average order parameter is found to be 0.80 for free barnase and 0.86 for the complex. However, the changes are not uniform along the backbone and for about 5 residues near the binding interface there is actually a significant decrease in the order parameters on complex formation. These residues are not involved in the actual binding. For the residues where the order parameter increases, the magnitudes vary significantly. It is observed that the complex has much less internal mobility, compared to free barnase. From the changes in the order parameters, the entropic contribution of NH bond vector motion to the free energy of complex formation has been calculated. It is apparent that these motions cause significant unfavorable contributions and therefore must be compensated by many other favorable contributions to effect tight complex formation. The observed variations in the motion and their different locations with regard to the binding interface may have important implications for remote effects and regulation of the enzyme

  13. Cleavage events and sperm dynamics in chick intrauterine embryos.

    Directory of Open Access Journals (Sweden)

    Hyung Chul Lee

    Full Text Available This study was undertaken to elucidate detailed event of early embryogenesis in chicken embryos using a noninvasive egg retrieval technique before oviposition. White Leghorn intrauterine eggs were retrieved from 95 cyclic hens aged up to 54-56 weeks and morphogenetic observation was made under both bright field and fluorescent image in a time course manner. Differing from mammals, asymmetric cleavage to yield preblastodermal cells was observed throughout early embryogenesis. The first two divisions occurred synchronously and four polarized preblastodermal cells resulted after cruciform cleavage. Then, asynchronous cleavage continued in a radial manner and overall cell size in the initial cleavage region was smaller than that in the distal area. Numerous sperms were visible, regardless of zygotic nuclei formation. Condensed sperm heads were present mainly in the perivitelline space and cytoplasm, and rarely in the yolk region, while decondensed sperm heads were only visible in the yolk. In conclusion, apparent differences in sperm dynamics and early cleavage events compared with mammalian embryos were detected in chick embryo development, which demonstrated polarized cleavage with penetrating supernumerary sperm into multiple regions.

  14. Dynamics of a Puelche foehn event in the Andes

    Directory of Open Access Journals (Sweden)

    Lea Beusch

    2018-01-01

    Full Text Available In this numerical modelling study, we investigate a Puelche foehn event (25–26 March 2014 in the southern Andes – a region with sparse observations. The synoptic environment as well as the mesoscale structure and the dynamics of the easterly wind are examined with European Centre for Medium-Range Weather Forecasts (ECMWF analyses and a simulation with the mesoscale non-hydrostatic limited-area weather prediction model COSMO with a grid spacing of 2.2 km.The large-scale synoptic situation leading to this Puelche event is characterized by a mid-tropospheric cut-off low above the mountain range, the formation of a coastal surface low, as well as high pressure extending over the southern Andes. Easterly winds extend throughout the entire troposphere, indicative of a deep foehn flow. In the free troposphere, the easterlies are geostrophically balanced and develop in association with increasing pressure to the south. In contrast, within the planetary boundary layer, the easterly winds occur predominantly due to an increasing cross-range large-scale pressure gradient with only a weak geostrophic component. Kinematic trajectories indicate that a significant part of the Puelche air mass originates from above an inversion on the upstream side of the Andes. Some air parcels, however, ascend on the upstream side to crest height as the boundary layer deepens during daytime and/or flow through gaps across the mountain range. Hence, this Puelche event shares characteristics of both a blocked and a non-blocked foehn type.

  15. Slow molecular dynamics in the β relaxation of semicrystalline polymers studied by pure exchange 13C solid state NMR

    International Nuclear Information System (INIS)

    Azevedo, Eduardo R. de; Becker-Guedes, Fabio; Bonagamba, Tito J.; Schmidt-Rohr, Klaus; Iowa State University, Ames, IA

    2001-01-01

    The dynamics in the amorphous regions of semicrystalline polymers exert important influences on mechanical properties, but have been notoriously difficult to characterize. Two new solid-state NMR techniques, PUREX (pure exchange) and CODEX (center band-only detection of exchange) NMR, make it possible to analyze the molecular motions near the glass transition in the amorphous regions of semicrystalline polymers. This is achieved by selectively suppressing the otherwise dominant signals of the static segments in the crystallites. We have applied both NMR techniques to study the slow motions near the glass transition in semicrystalline polymers (β relaxation) and in fully amorphous samples for reference. The studied polymers were isotactic poly(1-butene) (iPB1) (form I), syndiotactic and atactic polypropylenes (sPP, and aPP, respectively), as well as polyisobutylene (PIB). We have analyzed the geometry and time scale of the slow molecular motion for all samples and determined the apparent activation energies. (author)

  16. Dynamic regulation of GDP binding to G proteins revealed by magnetic field-dependent NMR relaxation analyses.

    Science.gov (United States)

    Toyama, Yuki; Kano, Hanaho; Mase, Yoko; Yokogawa, Mariko; Osawa, Masanori; Shimada, Ichio

    2017-02-22

    Heterotrimeric guanine-nucleotide-binding proteins (G proteins) serve as molecular switches in signalling pathways, by coupling the activation of cell surface receptors to intracellular responses. Mutations in the G protein α-subunit (Gα) that accelerate guanosine diphosphate (GDP) dissociation cause hyperactivation of the downstream effector proteins, leading to oncogenesis. However, the structural mechanism of the accelerated GDP dissociation has remained unclear. Here, we use magnetic field-dependent nuclear magnetic resonance relaxation analyses to investigate the structural and dynamic properties of GDP bound Gα on a microsecond timescale. We show that Gα rapidly exchanges between a ground-state conformation, which tightly binds to GDP and an excited conformation with reduced GDP affinity. The oncogenic D150N mutation accelerates GDP dissociation by shifting the equilibrium towards the excited conformation.

  17. Spin relaxation dynamics of holes in intrinsic GaAs quantum wells studied by transient circular dichromatic absorption spectroscopy at room temperature.

    Science.gov (United States)

    Fang, Shaoyin; Zhu, Ruidan; Lai, Tianshu

    2017-03-21

    Spin relaxation dynamics of holes in intrinsic GaAs quantum wells is studied using time-resolved circular dichromatic absorption spectroscopy at room temperature. It is found that ultrafast dynamics is dominated by the cooperative contributions of band filling and many-body effects. The relative contribution of the two effects is opposite in strength for electrons and holes. As a result, transient circular dichromatic differential transmission (TCD-DT) with co- and cross-circularly polarized pump and probe presents different strength at several picosecond delay time. Ultrafast spin relaxation dynamics of excited holes is sensitively reflected in TCD-DT with cross-circularly polarized pump and probe. A model, including coherent artifact, thermalization of nonthermal carriers and the cooperative contribution of band filling and many-body effects, is developed, and used to fit TCD-DT with cross-circularly polarized pump and probe. Spin relaxation time of holes is achieved as a function of excited hole density for the first time at room temperature, and increases with hole density, which disagrees with a theoretical prediction based on EY spin relaxation mechanism, implying that EY mechanism may be not dominant hole spin relaxation mechanism at room temperature, but DP mechanism is dominant possibly.

  18. Dynamics of photoexcited carrier relaxation and recombination in CdTe/CdS thin films

    Energy Technology Data Exchange (ETDEWEB)

    Levi, D.H.; Fluegel, B.D.; Ahrenkiel, R.K. [National Renewable Energy Lab., Golden, CO (United States)] [and others

    1996-05-01

    Efficiency-limiting defects in photovoltaic devices are readily probed by time-resolved spectroscopy. This paper presents the first direct optical measurements of the relaxation and recombination pathways of photoexcited carriers in the CdS window layer of CdTe/CdS polycrystalline thin films. Femtosecond time-resolved pump/probe measurements indicate the possible existence of a two-phase CdS/CdSTe layer, rather than a continuously graded alloy layer at the CdTe/CdS interface. Complementary time-resolved photoluminescence (PL) measurements show that the photoexcited carriers are rapidly captured by deep-level defects. The temporal and density-dependent properties of the photoluminescence prove that the large Stokes shift of the PL relative to the band edge is due to strong phonon coupling to deep-level defects in CdS. The authors suggest that modifications in the CdS processing may enhance carrier collection efficiency in the blue spectral region.

  19. A Numerical Approach for Hybrid Simulation of Power System Dynamics Considering Extreme Icing Events

    DEFF Research Database (Denmark)

    Chen, Lizheng; Zhang, Hengxu; Wu, Qiuwei

    2017-01-01

    numerical simulation scheme integrating icing weather events with power system dynamics is proposed to extend power system numerical simulation. A technique is developed to efficiently simulate the interaction of slow dynamics of weather events and fast dynamics of power systems. An extended package for PSS...

  20. Stellar dynamics around a massive black hole - III. Resonant relaxation of razor-thin axisymmetric discs

    Science.gov (United States)

    Sridhar, S.; Touma, Jihad R.

    2017-02-01

    We study the resonant relaxation (RR) of an axisymmetric, low-mass (or Keplerian) stellar disc orbiting a more massive black hole (MBH). Our recent work on the general kinetic theory of RR is simplified in the standard manner by the neglect of 'gravitational polarization' and applied to a razor-thin axisymmetric disc. The wake of a stellar orbit is expressed in terms of the angular momenta exchanged with other orbits, and used to derive a kinetic equation for RR under the combined actions of self-gravity, 1 PN and 1.5 PN general relativistic effects of the MBH and an arbitrary external axisymmetric potential. This is a Fokker-Planck equation for the stellar distribution function (DF), wherein the diffusion coefficients are given self-consistently in terms of contributions from apsidal resonances between pairs of stellar orbits. The physical kinetics is studied for the two main cases of interest. (1) 'Lossless' discs in which the MBH is not a sink of stars, and disc mass, angular momentum and energy are conserved: we prove that general H-functions can increase or decrease during RR, but the Boltzmann entropy is (essentially) unique in being a non-decreasing function of time. Therefore, secular thermal equilibria are maximum entropy states, with DFs of the Boltzmann form; the two-ring correlation function at equilibrium is computed. (2) Discs that lose stars to the MBH through an 'empty loss cone': we derive expressions for the MBH feeding rates of mass, angular momentum and energy in terms of the diffusive fluxes at the loss-cone boundaries.

  1. Unoccupied electronic structure and relaxation dynamics of Pb/Si(1 1 1)

    International Nuclear Information System (INIS)

    Sandhofer, M.; Sklyadneva, I.Yu.; Sharma, V.; Trontl, V. Mikšić; Zhou, P.; Ligges, M.; Heid, R.; Bohnen, K.-P.; Chulkov, E.V.; Bovensiepen, U.

    2014-01-01

    Highlights: • The electronic structure of unoccupied quantum well states in Pb/Si(1 1 1) is analyzed. • The Si substrate modifies the binding energy and dispersion of the Pb bands. • The direct Pb 6p z orbital overlap with Si orbitals is marginal. • We conclude a 6p x,y mediated interaction of the 6p z states with the Si bulk bands. - Abstract: The unoccupied electronic structure of epitaxial Pb films on Si(1 1 1) is analyzed by angle-resolved two-photon photoemission in the Γ ¯ →M ¯ direction close to the Brillouin zone center. The experimental results are compared to density functional theory calculations and we focus on the nature of the interaction of the 6p z states with the Si substrate. The experimentally obtained dispersion E(k || ) of the unoccupied quantum well states is weaker than expected for freestanding films, in good agreement with their occupied counterparts. Following E(k || ) of quantum well states as a function of momentum at different energies, which are degenerate and non-degenerate with the Si conduction band, we observe no influence of the Si bulk band and conclude a vanishing direct interaction of the Pb 6p z states with the Si band. However, the momentum range at which mixing of 6p z and 6p x,y derived subbands is found to occur in the presence of the Si substrate is closer to Γ ¯ than in the corresponding freestanding film, which indicates a substrate-mediated enhancement of the mixing of these states. Additional femtosecond time-resolved measurements show a constant relaxation time of hot electrons in unoccupied quantum well states as a function of parallel electron momentum which supports our conclusion of a p x,y mediated interaction of the p z states with the Si conduction band

  2. The influence of secondary processing on the structural relaxation dynamics of fluticasone propionate.

    Science.gov (United States)

    Depasquale, Roberto; Lee, Sau L; Saluja, Bhawana; Shur, Jagdeep; Price, Robert

    2015-06-01

    This study investigated the structural relaxation of micronized fluticasone propionate (FP) under different lagering conditions and its influence on aerodynamic particle size distribution (APSD) of binary and tertiary carrier-based dry powder inhaler (DPI) formulations. Micronized FP was lagered under low humidity (LH 25 C, 33% RH [relative humidity]), high humidity (HH 25°C, 75% RH) for 30, 60, and 90 days, respectively, and high temperature (HT 60°C, 44% RH) for 14 days. Physicochemical, surface interfacial properties via cohesive-adhesive balance (CAB) measurements and amorphous disorder levels of the FP samples were characterized. Particle size, surface area, and rugosity suggested minimal morphological changes of the lagered FP samples, with the exception of the 90-day HH (HH90) sample. HH90 FP samples appeared to undergo surface reconstruction with a reduction in surface rugosity. LH and HH lagering reduced the levels of amorphous content over 90-day exposure, which influenced the CAB measurements with lactose monohydrate and salmeterol xinafoate (SX). CAB analysis suggested that LH and HH lagering led to different interfacial interactions with lactose monohydrate but an increasing adhesive affinity with SX. HT lagering led to no detectable levels of the amorphous disorder, resulting in an increase in the adhesive interaction with lactose monohydrate. APSD analysis suggested that the fine particle mass of FP and SX was affected by the lagering of the FP. In conclusion, environmental conditions during the lagering of FP may have a profound effect on physicochemical and interfacial properties as well as product performance of binary and tertiary carrier-based DPI formulations.

  3. Anisotropic relaxation dynamics in a dipolar Fermi gas driven out of equilibrium

    DEFF Research Database (Denmark)

    Aikawa, K.; Frisch, A.; Mark, M.

    2014-01-01

    We report on the observation of a large anisotropy in the rethermalization dynamics of an ultracold dipolar Fermi gas driven out of equilibrium. Our system consists of an ultracold sample of strongly magnetic $^{167}$Er fermions, spin-polarized in the lowest Zeeman sublevel. In this system, elastic...

  4. Relaxation dynamics of a driven two-level system coupled to a Bose-Einstein condensate: application to quantum dot-dipolar exciton gas hybrid systems.

    Science.gov (United States)

    Kovalev, Vadim M; Tse, Wang-Kong

    2017-11-22

    We develop a microscopic theory for the relaxation dynamics of an optically pumped two-level system (TLS) coupled to a bath of weakly interacting Bose gas. Using Keldysh formalism and diagrammatic perturbation theory, expressions for the relaxation times of the TLS Rabi oscillations are derived when the boson bath is in the normal state and the Bose-Einstein condensate (BEC) state. We apply our general theory to consider an irradiated quantum dot coupled with a boson bath consisting of a two-dimensional dipolar exciton gas. When the bath is in the BEC regime, relaxation of the Rabi oscillations is due to both condensate and non-condensate fractions of the bath bosons for weak TLS-light coupling and pre dominantly due to the non-condensate fraction for strong TLS-light coupling. Our theory also shows that a phase transition of the bath from the normal to the BEC state strongly influences the relaxation rate of the TLS Rabi oscillations. The TLS relaxation rate is approximately independent of the pump field frequency and monotonically dependent on the field strength when the bath is in the low-temperature regime of the normal phase. Phase transition of the dipolar exciton gas leads to a non-monotonic dependence of the TLS relaxation rate on both the pump field frequency and field strength, providing a characteristic signature for the detection of BEC phase transition of the coupled dipolar exciton gas.

  5. High frame-rate neutron radiography of dynamic events

    International Nuclear Information System (INIS)

    Bossi, R.H.; Robinson, A.H.; Barton, J.P.

    1981-01-01

    A system has been developed to perform neutron radiographic analysis of dynamic events having a duration of several milliseconds. The system has been operated in the range of 2000 to 10,000 frames/second. Synchronization has provided high-speed-motion neutron radiographs for evaluation of the firing cycle of 7.62 mm munition rounds within a steel rifle barrel. The system has also been used to demonstrate the ability to produce neutron radiographic movies of two-phase flow. The equipment uses the Oregon State University TRIGA reactor capable of pulsing to 3000 MW peak power, a neutron beam collimator, a scintillator neutron conversion screen coupled to an image intensifier, and a 16 mm high speed movie camera. The peak neutron flux incident at the object position is approximately 4 x 10 11 n/cm 2 s with a pulse, full width at half maximum, of 9 ms. Special studies have been performed on the scintillator conversion screens and on the effects of statistical limitations on the image quality. Modulation transfer function analysis has been used to assist in the evaluation of the system performance

  6. High frame-rate neutron radiography of dynamic events

    International Nuclear Information System (INIS)

    Bossi, R.H.; Robinson, A.H.; Barton, J.P.

    1983-01-01

    A system has been developed to perform neutron radiographic analysis of dynamic events having a duration of several milliseconds. The system has been operated in the range of 2000 to 10,000 frames/second. Synchronization has provided high-speed-motion neutron radiographs for evaluation of the firing cycle of 7.62 mm munition rounds within a steel rifle barrel. The system has also been used to demonstrate the ability to produce neutron radiographic movies of two phase flow. The equipment uses the Oregon State University TRIGA reactor capable of pulsing to 3000 MW peak power, a neutron beam collimator, a scintillator neutron conversion screen coupled to an image intensifier, and a 16 mm high speed movie camera. The peak neutron flux incident at the object position is approximately 4 x 10 11 n/cm 2 s with a pulse, full width at half maximum, of 9 ms. Special studies have been performed on the scintillator conversion screens and on the effects of statistical limitations on the image quality. Modulation transfer function analysis has been used to assist in the evaluation of the system performance. (Auth.)

  7. Coherent quantum dynamics launched by incoherent relaxation in a quantum circuit simulator of a light-harvesting complex

    Science.gov (United States)

    Chin, A. W.; Mangaud, E.; Atabek, O.; Desouter-Lecomte, M.

    2018-06-01

    Engineering and harnessing coherent excitonic transport in organic nanostructures has recently been suggested as a promising way towards improving manmade light-harvesting materials. However, realizing and testing the dissipative system-environment models underlying these proposals is presently very challenging in supramolecular materials. A promising alternative is to use simpler and highly tunable "quantum simulators" built from programmable qubits, as recently achieved in a superconducting circuit by Potočnik et al. [A. Potočnik et al., Nat. Commun. 9, 904 (2018), 10.1038/s41467-018-03312-x]. We simulate the real-time dynamics of an exciton coupled to a quantum bath as it moves through a network based on the quantum circuit of Potočnik et al. Using the numerically exact hierarchical equations of motion to capture the open quantum system dynamics, we find that an ultrafast but completely incoherent relaxation from a high-lying "bright" exciton into a doublet of closely spaced "dark" excitons can spontaneously generate electronic coherences and oscillatory real-space motion across the network (quantum beats). Importantly, we show that this behavior also survives when the environmental noise is classically stochastic (effectively high temperature), as in present experiments. These predictions highlight the possibilities of designing matched electronic and spectral noise structures for robust coherence generation that do not require coherent excitation or cold environments.

  8. Local spin dynamics at low temperature in the slowly relaxing molecular chain [Dy(hfac)3(NIT(C6H4OPh))]: A μ{sup +} spin relaxation study

    Energy Technology Data Exchange (ETDEWEB)

    Arosio, Paolo, E-mail: paolo.arosio@guest.unimi.it; Orsini, Francesco [Department of Physics, Università degli Studi di Milano, and INSTM, Milano (Italy); Corti, Maurizio [Department of Physics, Università degli Studi di Pavia and INSTM, Pavia (Italy); Mariani, Manuel [Department of Physics and Astronomy, Università degli Studi di Bologna, Bologna (Italy); Bogani, Lapo [Physikalisches Institut, Universität Stuttgart, Stuttgart (Germany); Caneschi, Andrea [INSTM and Department of Chemistry, University of Florence, Firenze (Italy); Lago, Jorge [Departamento de Quimica Inorganica, Universidad del Pais Vasco, Bilbao (Spain); Lascialfari, Alessandro [Department of Physics, Università degli Studi di Milano, and INSTM, Milano (Italy); Centro S3, Istituto Nanoscienze - CNR, Modena (Italy)

    2015-05-07

    The spin dynamics of the molecular magnetic chain [Dy(hfac){sub 3}(NIT(C{sub 6}H{sub 4}OPh))] were investigated by means of the Muon Spin Relaxation (μ{sup +}SR) technique. This system consists of a magnetic lattice of alternating Dy(III) ions and radical spins, and exhibits single-chain-magnet behavior. The magnetic properties of [Dy(hfac){sub 3}(NIT(C{sub 6}H{sub 4}OPh))] have been studied by measuring the magnetization vs. temperature at different applied magnetic fields (H = 5, 3500, and 16500 Oe) and by performing μ{sup +}SR experiments vs. temperature in zero field and in a longitudinal applied magnetic field H = 3500 Oe. The muon asymmetry P(t) was fitted by the sum of three components, two stretched-exponential decays with fast and intermediate relaxation times, and a third slow exponential decay. The temperature dependence of the spin dynamics has been determined by analyzing the muon longitudinal relaxation rate λ{sub interm}(T), associated with the intermediate relaxing component. The experimental λ{sub interm}(T) data were fitted with a corrected phenomenological Bloembergen-Purcell-Pound law by using a distribution of thermally activated correlation times, which average to τ = τ{sub 0} exp(Δ/k{sub B}T), corresponding to a distribution of energy barriers Δ. The correlation times can be associated with the spin freezing that occurs when the system condenses in the ground state.

  9. Ultrafast relaxation dynamics of a biologically relevant probe dansyl at the micellar surface.

    Science.gov (United States)

    Sarkar, Rupa; Ghosh, Manoranjan; Pal, Samir Kumar

    2005-02-01

    We report picosecond-resolved measurement of the fluorescence of a well-known biologically relevant probe, dansyl chromophore at the surface of a cationic micelle (cetyltrimethylammonium bromide, CTAB). The dansyl chromophore has environmentally sensitive fluorescence quantum yields and emission maxima, along with large Stokes shift. In order to study the solvation dynamics of the micellar environment, we measured the fluorescence of dansyl chromophore attached to the micellar surface. The fluorescence transients were observed to decay (with time constant approximately 350 ps) in the blue end and rise with similar timescale in the red end, indicative of solvation dynamics of the environment. The solvation correlation function is measured to decay with time constant 338 ps, which is much slower than that of ordinary bulk water. Time-resolved anisotropy of the dansyl chromophore shows a bi-exponential decay with time constants 413 ps (23%) and 1.3 ns (77%), which is considerably slower than that in free solvents revealing the rigidity of the dansyl-micelle complex. Time-resolved area-normalized emission spectroscopic (TRANES) analysis of the time dependent emission spectra of the dansyl chromophore in the micellar environment shows an isoemissive point at 21066 cm-1. This indicates the fluorescence of the chromophore contains emission from two kinds of excited states namely locally excited state (prior to charge transfer) and charge transfer state. The nature of the solvation dynamics in the micellar environments is therefore explored from the time-resolved anisotropy measurement coupled with the TRANES analysis of the fluorescence transients. The time scale of the solvation is important for the mechanism of molecular recognition.

  10. Photoluminescence and dynamics of excitation relaxation in graphene oxide-porphyrin nanorods composite

    International Nuclear Information System (INIS)

    Khenfouch, M.; Wéry, J.; Baïtoul, M.; Maaza, M.

    2014-01-01

    Generally, porphyrin nanostructured materials are known by playing many roles such as photoconductors, photovoltaics and capable of light induced charging. Also their combination with acceptors like graphene, the rising two dimension material, added exciting physical and chemical properties. In this work, Morphology, optical absorption and photoluminescence properties were investigated in order to elucidate the interaction between the few layered graphene oxide (FGO) and pophyrin nanorods. Reporting on the photoluminescence (PL) of both porphyrin nanorods and FGO/porphyrin nanorods composite, synthesized via a self-assembly method, we have experimentally demonstrated the generation of a new photoluminescence band giving rise to a white light. This luminescence was studied by the analysis of its origins and dynamics which show a huge change of exciton life time found to be longer after the interaction with graphene oxide (GO) sheets. -- Highlights: • We prepared FGO-porphyrin nanorods composite via a simple chemical method. • Luminescence properties were studied presenting the absorption, photoluminescence and dynamics measurements. • These results show the emission of a white light which we studied its emissions origins. • TEM images show FGO sheets decorated with porphyrin nanorods. • FGO had like effect an increase of the exciton lifetime in porphyrin nanorods

  11. Ultrafast intramolecular relaxation dynamics of Mg- and Zn-bacteriochlorophyll a

    Energy Technology Data Exchange (ETDEWEB)

    Kosumi, Daisuke [Osaka City University Advanced Research Institute for Natural Science and Technology, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585 (Japan); CREST/JST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Nakagawa, Katsunori; Sakai, Shunsuke [Graduate School of Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan); Nagaoka, Yuya; Maruta, Satoshi; Sugisaki, Mitsuru [CREST/JST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Department of Physics, Graduate School of Science, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585 (Japan); Dewa, Takehisa [Graduate School of Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan); PRESTO/JST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Nango, Mamoru [The Osaka City University Advanced Research Institute for Natural Science and Technology, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585 (Japan); CREST/JST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Graduate School of Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan); Hashimoto, Hideki [The Osaka City University Advanced Research Institute for Natural Science and Technology, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585 (Japan); CREST/JST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Department of Physics, Graduate School of Science, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585 (Japan)

    2013-07-21

    Ultrafast excited-state dynamics of the photosynthetic pigment (Mg-)bacteriochlorophyll a and its Zn-substituted form were investigated by steady-state absorption/fluorescence and femtosecond pump-probe spectroscopic measurements. The obtained steady-state absorption and fluorescence spectra of bacteriochlorophyll a in solution showed that the central metal compound significantly affects the energy of the Q{sub x} state, but has almost no effect on the Q{sub y} state. Photo-induced absorption spectra were recorded upon excitation of Mg- and Zn-bacteriochlorophyll a into either their Q{sub x} or Q{sub y} state. By comparing the kinetic traces of transient absorption, ground-state beaching, and stimulated emission after excitation to the Q{sub x} or Q{sub y} state, we showed that the Q{sub x} state was substantially incorporated in the ultrafast excited-state dynamics of bacteriochlorophyll a. Based on these observations, the lifetime of the Q{sub x} state was determined to be 50 and 70 fs for Mg- and Zn-bacteriochlorophyll a, respectively, indicating that the lifetime was influenced by the central metal atom due to the change of the energy gap between the Q{sub x} and Q{sub y} states.

  12. Photoluminescence and dynamics of excitation relaxation in graphene oxide-porphyrin nanorods composite

    Energy Technology Data Exchange (ETDEWEB)

    Khenfouch, M., E-mail: khenfouch@yahoo.fr [University Sidi Mohamed Ben Abdellah, Faculty of Sciences Dhar el Mahraz, Laboratory of Solid State Physics, Group of Polymers and Nanomaterials, BP 1796 Atlas, Fez 30 000 (Morocco); iThemba LABS-National Research Foundation of South Africa, Old Faure Road, PO Box 722, Somerset West 7129, Western Cape Province (South Africa); UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk ridge, PO Box 392, Pretoria (South Africa); Wéry, J. [Institut des Matériaux Jean Rouxel, Nantes, 2 rue de la Houssinière, BP 32229, 44322 Nantes, Cedex 3 (France); Baïtoul, M., E-mail: baitoul@yahoo.fr [University Sidi Mohamed Ben Abdellah, Faculty of Sciences Dhar el Mahraz, Laboratory of Solid State Physics, Group of Polymers and Nanomaterials, BP 1796 Atlas, Fez 30 000 (Morocco); Maaza, M. [iThemba LABS-National Research Foundation of South Africa, Old Faure Road, PO Box 722, Somerset West 7129, Western Cape Province (South Africa); UNESCO-UNISA Africa Chair in Nanosciences-Nanotechnology, College of Graduate Studies, University of South Africa, Muckleneuk ridge, PO Box 392, Pretoria (South Africa)

    2014-01-15

    Generally, porphyrin nanostructured materials are known by playing many roles such as photoconductors, photovoltaics and capable of light induced charging. Also their combination with acceptors like graphene, the rising two dimension material, added exciting physical and chemical properties. In this work, Morphology, optical absorption and photoluminescence properties were investigated in order to elucidate the interaction between the few layered graphene oxide (FGO) and pophyrin nanorods. Reporting on the photoluminescence (PL) of both porphyrin nanorods and FGO/porphyrin nanorods composite, synthesized via a self-assembly method, we have experimentally demonstrated the generation of a new photoluminescence band giving rise to a white light. This luminescence was studied by the analysis of its origins and dynamics which show a huge change of exciton life time found to be longer after the interaction with graphene oxide (GO) sheets. -- Highlights: • We prepared FGO-porphyrin nanorods composite via a simple chemical method. • Luminescence properties were studied presenting the absorption, photoluminescence and dynamics measurements. • These results show the emission of a white light which we studied its emissions origins. • TEM images show FGO sheets decorated with porphyrin nanorods. • FGO had like effect an increase of the exciton lifetime in porphyrin nanorods.

  13. Backbone dynamics of a biologically active human FGF-1 monomer, complexed to a hexasaccharide heparin-analogue, by 15N NMR relaxation methods

    International Nuclear Information System (INIS)

    Canales-Mayordomo, Angeles; Fayos, Rosa; Angulo, Jesus; Ojeda, Rafael; Martin-Pastor, Manuel; Nieto, Pedro M.; Martin-Lomas, Manuel; Lozano, Rosa; Gimenez-Gallego, Guillermo; Jimenez-Barbero, Jesus

    2006-01-01

    The binding site and backbone dynamics of a bioactive complex formed by the acidic fibroblast growth factor (FGF-1) and a specifically designed heparin hexasaccharide has been investigated by HSQC and relaxation NMR methods. The comparison of the relaxation data for the free and bound states has allowed showing that the complex is monomeric, and still induces mutagenesis, and that the protein backbone presents reduced motion in different timescale in its bound state, except in certain points that are involved in the interaction with the fibroblast growth factor receptor (FGFR)

  14. Backbone dynamics of a biologically active human FGF-1 monomer, complexed to a hexasaccharide heparin-analogue, by {sup 15}N NMR relaxation methods

    Energy Technology Data Exchange (ETDEWEB)

    Canales-Mayordomo, Angeles; Fayos, Rosa [Centro de Investigaciones Biologicas, CSIC, Departamento de Estructura y Funcion de Proteinas (Spain); Angulo, Jesus; Ojeda, Rafael [Instituto de Investigaciones Quimicas, CSIC, Grupo de Carbohidratos (Spain); Martin-Pastor, Manuel [Unidad de RM y Unidad de RMN de Biomoleculas Asociada al CSIC, Laboratorio de Estructura e Estructura de Biomoleculas Jose Carracido (Spain); Nieto, Pedro M.; Martin-Lomas, Manuel [Instituto de Investigaciones Quimicas, CSIC, Grupo de Carbohidratos (Spain); Lozano, Rosa; Gimenez-Gallego, Guillermo; Jimenez-Barbero, Jesus [Centro de Investigaciones Biologicas, CSIC, Departamento de Estructura y Funcion de Proteinas (Spain)], E-mail: jjbarbero@cib.csic.es

    2006-08-15

    The binding site and backbone dynamics of a bioactive complex formed by the acidic fibroblast growth factor (FGF-1) and a specifically designed heparin hexasaccharide has been investigated by HSQC and relaxation NMR methods. The comparison of the relaxation data for the free and bound states has allowed showing that the complex is monomeric, and still induces mutagenesis, and that the protein backbone presents reduced motion in different timescale in its bound state, except in certain points that are involved in the interaction with the fibroblast growth factor receptor (FGFR)

  15. Toward structural dynamics: protein motions viewed by chemical shift modulations and direct detection of C'N multiple-quantum relaxation.

    Science.gov (United States)

    Mori, Mirko; Kateb, Fatiha; Bodenhausen, Geoffrey; Piccioli, Mario; Abergel, Daniel

    2010-03-17

    Multiple quantum relaxation in proteins reveals unexpected relationships between correlated or anti-correlated conformational backbone dynamics in alpha-helices or beta-sheets. The contributions of conformational exchange to the relaxation rates of C'N coherences (i.e., double- and zero-quantum coherences involving backbone carbonyl (13)C' and neighboring amide (15)N nuclei) depend on the kinetics of slow exchange processes, as well as on the populations of the conformations and chemical shift differences of (13)C' and (15)N nuclei. The relaxation rates of C'N coherences, which reflect concerted fluctuations due to slow chemical shift modulations (CSMs), were determined by direct (13)C detection in diamagnetic and paramagnetic proteins. In well-folded proteins such as lanthanide-substituted calbindin (CaLnCb), copper,zinc superoxide dismutase (Cu,Zn SOD), and matrix metalloproteinase (MMP12), slow conformational exchange occurs along the entire backbone. Our observations demonstrate that relaxation rates of C'N coherences arising from slow backbone dynamics have positive signs (characteristic of correlated fluctuations) in beta-sheets and negative signs (characteristic of anti-correlated fluctuations) in alpha-helices. This extends the prospects of structure-dynamics relationships to slow time scales that are relevant for protein function and enzymatic activity.

  16. Characterization of dynamics in complex lyophilized formulations: I. Comparison of relaxation times measured by isothermal calorimetry with data estimated from the width of the glass transition temperature region.

    Science.gov (United States)

    Chieng, Norman; Mizuno, Masayasu; Pikal, Michael

    2013-10-01

    The purposes of this study are to characterize the relaxation dynamics in complex freeze dried formulations and to investigate the quantitative relationship between the structural relaxation time as measured by thermal activity monitor (TAM) and that estimated from the width of the glass transition temperature (ΔT(g)). The latter method has advantages over TAM because it is simple and quick. As part of this objective, we evaluate the accuracy in estimating relaxation time data at higher temperatures (50 °C and 60 °C) from TAM data at lower temperature (40 °C) and glass transition region width (ΔT(g)) data obtained by differential scanning calorimetry. Formulations studied here were hydroxyethyl starch (HES)-disaccharide, HES-polyol, and HES-disaccharide-polyol at various ratios. We also re-examine, using TAM derived relaxation times, the correlation between protein stability (human growth hormone, hGH) and relaxation times explored in a previous report, which employed relaxation time data obtained from ΔT(g). Results show that most of the freeze dried formulations exist in single amorphous phase, and structural relaxation times were successfully measured for these systems. We find a reasonably good correlation between TAM measured relaxation times and corresponding data obtained from estimates based on ΔT(g), but the agreement is only qualitative. The comparison plot showed that TAM data are directly proportional to the 1/3 power of ΔT(g) data, after correcting for an offset. Nevertheless, the correlation between hGH stability and relaxation time remained qualitatively the same as found with using ΔT(g) derived relaxation data, and it was found that the modest extrapolation of TAM data to higher temperatures using ΔT(g) method and TAM data at 40 °C resulted in quantitative agreement with TAM measurements made at 50 °C and 60 °C, provided the TAM experiment temperature, is well below the Tg of the sample. Copyright © 2013 Elsevier B.V. All rights

  17. Dynamic relaxation method for nonlinear buckling analysis of moderately thick FG cylindrical panels with various boundary conditions

    Energy Technology Data Exchange (ETDEWEB)

    Golmakani, M. E.; Far, M. N. Sadraee; Moravej, M. [Dept. of Mechanical Engineering, Mashhad Branch, Islamic Azad University, Mashhad (Iran, Islamic Republic of)

    2016-12-15

    Using new approach proposed by Dynamic relaxation (DR) method, buckling analysis of moderately thick Functionally graded (FG) cylindrical panels subjected to axial compression is investigated for various boundary conditions. The mechanical properties of FG panel are assumed to vary continuously along the thickness direction by the simple rule of mixture and Mori-Tanaka model. The incremental form of nonlinear formulations are derived based on First-order shear deformation theory (FSDT) and large deflection von Karman equations. The DR method combined with the finite difference discretization technique is employed to solve the incremental form of equilibrium equations. The critical mechanical buckling load is determined based on compressive load-displacement curve by adding the incremental displacements in each load step to the displacements obtained from the previous ones. A detailed parametric study is carried out to investigate the influences of the boundary conditions, rule of mixture, grading index, radius-to-thickness ratio, length-to-radius ratio and panel angle on the mechanical buckling load. The results reveal that with increase of grading index the effect of radius-to-thickness ratio on the buckling load decreases. It is also observed that effect of distribution rules on the buckling load is dependent to the type of boundary conditions.

  18. Photovoltaic Properties and Ultrafast Plasmon Relaxation Dynamics of Diamond-Like Carbon Nanocomposite Films with Embedded Ag Nanoparticles.

    Science.gov (United States)

    Meškinis, Šarūnas; Peckus, Domantas; Vasiliauskas, Andrius; Čiegis, Arvydas; Gudaitis, Rimantas; Tamulevičius, Tomas; Yaremchuk, Iryna; Tamulevičius, Sigitas

    2017-12-01

    Ultrafast relaxation dynamics of diamond-like carbon (DLC) films with embedded Ag nanoparticles (DLC:Ag) and photovoltaic properties of heterojunctions consisting of DLC:Ag and crystalline silicon (DLC:Ag/Si) were investigated by means of transient absorption (TAS) spectroscopy and photovoltaic measurements. The heterojunctions using both p type and n type silicon were studied. It was found that TAS spectra of DLC:Ag films were dependent on the used excitation wavelength. At wavelengths where Ag nanoparticles absorbed light most intensively, only DLC signal was registered. This result is in good accordance with an increase of the DLC:Ag/Si heterojunction short circuit current and open circuit voltage with the excitation wavelength in the photovoltaic measurements. The dependence of the TAS spectra of DLC:Ag films and photovoltaic properties of DLC:Ag/Si heterostructures on the excitation wavelength was explained as a result of trapping of the photoexcited hot charge carriers in DLC matrix. The negative photovoltaic effect was observed for DLC:Ag/p-Si heterostructures and positive ("conventional") for DLC:Ag/n-Si ones. It was explained by the excitation of hot plasmonic holes in the Ag nanoparticles embedded into DLC matrix. Some decrease of DLC:Ag/Si heterostructures photovoltage as well as photocurrent with DLC:Ag film thickness was observed, indicating role of the interface in the charge transfer process of photocarriers excited in Ag nanoparticles.

  19. Adiabatic fast passage application in solid state NMR study of cross relaxation and molecular dynamics in heteronuclear systems.

    Science.gov (United States)

    Baranowski, M; Woźniak-Braszak, A; Jurga, K

    2016-01-01

    The paper presents the benefits of using fast adiabatic passage for the study of molecular dynamics in the solid state heteronuclear systems in the laboratory frame. A homemade pulse spectrometer operating at the frequency of 30.2MHz and 28.411MHz for protons and fluorines, respectively, has been enhanced with microcontroller direct digital synthesizer DDS controller [1-4]. This work briefly describes how to construct a low-cost and easy-to-assemble adiabatic extension set for homemade and commercial spectrometers based on recently very popular Arduino shields. The described set was designed for fast adiabatic generation. Timing and synchronization problems are discussed. The cross-relaxation experiments with different initial states of the two spin systems have been performed. Contrary to our previous work [5] where the steady-state NOE experiments were conducted now proton spins (1)H are polarized in the magnetic field B0 while fluorine spins (19)F are perturbed by selective saturation for a short time and then the system is allowed to evolve for a period in the absence of a saturating field. The adiabatic passage application leads to a reversal of magnetization of fluorine spins and increases the amplitude of the signal. Copyright © 2015 Elsevier Inc. All rights reserved.

  20. Conformational Entropy of FK506 Binding to FKBP12 Determined by Nuclear Magnetic Resonance Relaxation and Molecular Dynamics Simulations.

    Science.gov (United States)

    Solomentsev, Gleb; Diehl, Carl; Akke, Mikael

    2018-03-06

    FKBP12 (FK506 binding protein 12 kDa) is an important drug target. Nuclear magnetic resonance (NMR) order parameters, describing amplitudes of motion on the pico- to nanosecond time scale, can provide estimates of changes in conformational entropy upon ligand binding. Here we report backbone and methyl-axis order parameters of the apo and FK506-bound forms of FKBP12, based on 15 N and 2 H NMR relaxation. Binding of FK506 to FKBP12 results in localized changes in order parameters, notably for the backbone of residues E54 and I56 and the side chains of I56, I90, and I91, all positioned in the binding site. The order parameters increase slightly upon FK506 binding, indicating an unfavorable entropic contribution to binding of TΔ S = -18 ± 2 kJ/mol at 293 K. Molecular dynamics simulations indicate a change in conformational entropy, associated with all dihedral angles, of TΔ S = -26 ± 9 kJ/mol. Both these values are significant compared to the total entropy of binding determined by isothermal titration calorimetry and referenced to a reactant concentration of 1 mM ( TΔ S = -29 ± 1 kJ/mol). Our results reveal subtle differences in the response to ligand binding compared to that of the previously studied rapamycin-FKBP12 complex, despite the high degree of structural homology between the two complexes and their nearly identical ligand-FKBP12 interactions. These results highlight the delicate dependence of protein dynamics on drug interactions, which goes beyond the view provided by static structures, and reinforce the notion that protein conformational entropy can make important contributions to the free energy of ligand binding.

  1. Ultraviolet relaxation dynamics of aniline, N, N-dimethylaniline and 3,5-dimethylaniline at 250 nm

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, James O. F.; Saalbach, Lisa; Crane, Stuart W. [Institute of Photonics and Quantum Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom); Paterson, Martin J. [Institute of Chemical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom); Townsend, Dave, E-mail: D.Townsend@hw.ac.uk [Institute of Photonics and Quantum Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom); Institute of Chemical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)

    2015-03-21

    Time-resolved photoelectron imaging was used to investigate the electronic relaxation dynamics of gas-phase aniline, N, N-dimethylaniline, and 3,5-dimethylaniline following ultraviolet excitation at 250 nm. Our analysis was supported by ab initio coupled-cluster calculations evaluating excited state energies and (in aniline) the evolution of a range of excited state physical properties as a function of N–H bond extension. Due to a lack of consistency between several earlier studies undertaken in aniline, the specific aim of this present work was to gain new insight into the previously proposed non-adiabatic coupling interaction between the two lowest lying singlet excited states S{sub 1}(ππ{sup ∗}) and S{sub 2}(3s/πσ{sup ∗}). The methyl-substituted systems N, N-dimethylaniline and 3,5-dimethylaniline were included in order to obtain more detailed dynamical information about the key internal molecular coordinates that drive the S{sub 1}(ππ{sup ∗})/S{sub 2}(3s/πσ{sup ∗}) coupling mechanism. Our findings suggest that in all three systems, both electronic states are directly populated during the initial excitation, with the S{sub 2}(3s/πσ{sup ∗}) state then potentially decaying via either direct dissociation along the N–X stretching coordinate (X = H or CH{sub 3}) or internal conversion to the S{sub 1}(ππ{sup ∗}) state. In aniline and N, N-dimethylaniline, both pathways most likely compete in the depletion of S{sub 2}(3s/πσ{sup ∗}) state population. However, in 3,5-dimethylaniline, only the direct dissociation mechanism appears to be active. This is rationalized in terms of changes in the relative rates of the two decay pathways upon methylation of the aromatic ring system.

  2. DEVS representation of dynamical systems - Event-based intelligent control. [Discrete Event System Specification

    Science.gov (United States)

    Zeigler, Bernard P.

    1989-01-01

    It is shown how systems can be advantageously represented as discrete-event models by using DEVS (discrete-event system specification), a set-theoretic formalism. Such DEVS models provide a basis for the design of event-based logic control. In this control paradigm, the controller expects to receive confirming sensor responses to its control commands within definite time windows determined by its DEVS model of the system under control. The event-based contral paradigm is applied in advanced robotic and intelligent automation, showing how classical process control can be readily interfaced with rule-based symbolic reasoning systems.

  3. On the Use of Molecular Weight Cutoff Cassettes to Measure Dynamic Relaxivity of Novel Gadolinium Contrast Agents: Example Using Hyaluronic Acid Polymer Complexes in Phosphate-Buffered Saline

    Directory of Open Access Journals (Sweden)

    Nima Kasraie

    2011-01-01

    Full Text Available The aims of this study were to determine whether standard extracellular contrast agents of Gd(III ions in combination with a polymeric entity susceptible to hydrolytic degradation over a finite period of time, such as Hyaluronic Acid (HA, have sufficient vascular residence time to obtain comparable vascular imaging to current conventional compounds and to obtain sufficient data to show proof of concept that HA with Gd-DTPA ligands could be useful as vascular imaging agents. We assessed the dynamic relaxivity of the HA bound DTPA compounds using a custom-made phantom, as well as relaxation rates at 10.72 MHz with concentrations ranging between 0.09 and 7.96 mM in phosphate-buffered saline. Linear dependences of static longitudinal relaxation rate (R1 on concentration were found for most measured samples, and the HA samples continued to produce high signal strength after 24 hours after injection into a dialysis cassette at 3T, showing superior dynamic relaxivity values compared to conventional contrast media such as Gd-DTPA-BMA.

  4. 15N NMR relaxation studies of calcium-loaded parvalbumin show tight dynamics compared to those of other EF-hand proteins

    DEFF Research Database (Denmark)

    Baldellon, C; Alattia, J R; Strub, M P

    1998-01-01

    Dynamics of the rat alpha-parvalbumin calcium-loaded form have been determined by measurement of 15N nuclear relaxation using proton-detected heteronuclear NMR spectroscopy. The relaxation data were analyzed using spectral density functions and the Lipari-Szabo formalism. The major dynamic features...... for the rat alpha-parvalbumin calcium-loaded form are (1) the extreme rigidity of the helix-loop-helix EF-hand motifs and the linker segment connecting them, (2) the N and C termini of the protein being restricted in their mobility, (3) a conformational exchange occurring at the kink of helix D, and (4...... properties which are conserved in the EF-hand domains from different members of this superfamily: (1) a tendency toward higher mobility of NH vectors at relative position 2 in the Ca2+-binding loop, (2) a restricted mobility for the other residues in the binding loop, and (3) an overall rigidity...

  5. Nonequilibrium dynamics of one-dimensional hard-core anyons following a quench: complete relaxation of one-body observables.

    Science.gov (United States)

    Wright, Tod M; Rigol, Marcos; Davis, Matthew J; Kheruntsyan, Karén V

    2014-08-01

    We demonstrate the role of interactions in driving the relaxation of an isolated integrable quantum system following a sudden quench. We consider a family of integrable hard-core lattice anyon models that continuously interpolates between noninteracting spinless fermions and strongly interacting hard-core bosons. A generalized Jordan-Wigner transformation maps the entire family to noninteracting fermions. We find that, aside from the singular free-fermion limit, the entire single-particle density matrix and, therefore, all one-body observables relax to the predictions of the generalized Gibbs ensemble (GGE). This demonstrates that, in the presence of interactions, correlations between particles in the many-body wave function provide the effective dissipation required to drive the relaxation of all one-body observables to the GGE. This relaxation does not depend on translational invariance or the tracing out of any spatial domain of the system.

  6. Monitoring intracellular oxidative events using dynamic spectral unmixing microscopy

    Science.gov (United States)

    There is increasing interest in using live-cell imaging to monitor not just individual intracellular endpoints, but to investigate the interplay between multiple molecular events as they unfold in real time within the cell. A major impediment to simultaneous acquisition of multip...

  7. Perceived synchrony for realistic and dynamic audiovisual events.

    Science.gov (United States)

    Eg, Ragnhild; Behne, Dawn M

    2015-01-01

    In well-controlled laboratory experiments, researchers have found that humans can perceive delays between auditory and visual signals as short as 20 ms. Conversely, other experiments have shown that humans can tolerate audiovisual asynchrony that exceeds 200 ms. This seeming contradiction in human temporal sensitivity can be attributed to a number of factors such as experimental approaches and precedence of the asynchronous signals, along with the nature, duration, location, complexity and repetitiveness of the audiovisual stimuli, and even individual differences. In order to better understand how temporal integration of audiovisual events occurs in the real world, we need to close the gap between the experimental setting and the complex setting of everyday life. With this work, we aimed to contribute one brick to the bridge that will close this gap. We compared perceived synchrony for long-running and eventful audiovisual sequences to shorter sequences that contain a single audiovisual event, for three types of content: action, music, and speech. The resulting windows of temporal integration showed that participants were better at detecting asynchrony for the longer stimuli, possibly because the long-running sequences contain multiple corresponding events that offer audiovisual timing cues. Moreover, the points of subjective simultaneity differ between content types, suggesting that the nature of a visual scene could influence the temporal perception of events. An expected outcome from this type of experiment was the rich variation among participants' distributions and the derived points of subjective simultaneity. Hence, the designs of similar experiments call for more participants than traditional psychophysical studies. Heeding this caution, we conclude that existing theories on multisensory perception are ready to be tested on more natural and representative stimuli.

  8. Composition-dependent hot carrier relaxation dynamics in cesium lead halide (CsPbX{sub 3}, X=Br and I) perovskite nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Heejae; Jung, Seok Il; Kim, Hyo Jin; Cha, Wonhee; Sim, Eunji; Kim, Dongho [Department of Chemistry, Yonsei University, Seoul (Korea, Republic of); Koh, Weon-Kyu [Device Laboratory, Samsung Advanced Institute of Technology, Suwon (Korea, Republic of); Kim, Jiwon [School of Integrated Technology and Underwood International College, Yonsei University, Incheon (Korea, Republic of)

    2017-04-03

    Cesium-based perovskite nanocrystals (NCs) have outstanding photophysical properties improving the performances of lighting devices. Fundamental studies on excitonic properties and hot-carrier dynamics in perovskite NCs further suggest that these materials show higher efficiencies compared to the bulk form of perovskites. However, the relaxation rates and pathways of hot-carriers are still being elucidated. By using ultrafast transient spectroscopy and calculating electronic band structures, we investigated the dependence of halide in Cs-based perovskite (CsPbX{sub 3} with X=Br, I, or their mixtures) NCs on the hot-carrier relaxation processes. All samples exhibit ultrafast (<0.6 ps) hot-carrier relaxation dynamics with following order: CsPbBr{sub 3} (310 fs)>CsPbBr{sub 1.5}I{sub 1.5} (380 fs)>CsPbI{sub 3} NC (580 fs). These result accounts for a reduced light emission efficiency of CsPbI{sub 3} NC compared to CsPbBr{sub 3} NC. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Offline analysis of HEP events by ''dynamic perceptron'' neural network

    International Nuclear Information System (INIS)

    Perrone, A.L.; Basti, G.; Messi, R.; Pasqualucci, E.; Paoluzi, L.

    1997-01-01

    In this paper we start from a critical analysis of the fundamental problems of the parallel calculus in linear structures and of their extension to the partial solutions obtained with non-linear architectures. Then, we present shortly a new dynamic architecture able to solve the limitations of the previous architectures through an automatic re-definition of the topology. This architecture is applied to real-time recognition of particle tracks in high-energy accelerators. (orig.)

  10. Spin-polarization dependent carrier recombination dynamics and spin relaxation mechanism in asymmetrically doped (110) n-GaAs quantum wells

    Science.gov (United States)

    Teng, Lihua; Jiang, Tianran; Wang, Xia; Lai, Tianshu

    2018-05-01

    Carrier recombination and electron spin relaxation dynamics in asymmetric n-doped (110) GaAs/AlGaAs quantum wells are investigated with time-resolved pump-probe spectroscopy. The experiment results reveal that the measured carrier recombination time depends strongly on the polarization of pump pulse. With the same pump photon flux densities, the recombination time of spin-polarized carriers is always longer than that of the spin-balanced carriers except at low pump photon flux densities, this anomaly originates from the polarization-sensitive nonlinear absorption effect. Differing from the traditional views, in the low carrier density regime, the D'yakonov-Perel' (DP) mechanism can be more important than the Bir-Aronov-Pikus (BAP) mechanism, since the DP mechanism takes effect, the spin relaxation time in (110) GaAs QWs is shortened obviously via asymmetric doping.

  11. Event heap: a coordination infrastructure for dynamic heterogeneous application interactions in ubiquitous computing environments

    Science.gov (United States)

    Johanson, Bradley E.; Fox, Armando; Winograd, Terry A.; Hanrahan, Patrick M.

    2010-04-20

    An efficient and adaptive middleware infrastructure called the Event Heap system dynamically coordinates application interactions and communications in a ubiquitous computing environment, e.g., an interactive workspace, having heterogeneous software applications running on various machines and devices across different platforms. Applications exchange events via the Event Heap. Each event is characterized by a set of unordered, named fields. Events are routed by matching certain attributes in the fields. The source and target versions of each field are automatically set when an event is posted or used as a template. The Event Heap system implements a unique combination of features, both intrinsic to tuplespaces and specific to the Event Heap, including content based addressing, support for routing patterns, standard routing fields, limited data persistence, query persistence/registration, transparent communication, self-description, flexible typing, logical/physical centralization, portable client API, at most once per source first-in-first-out ordering, and modular restartability.

  12. The dynamics of discrete populations and series of events

    CERN Document Server

    Hopcraft, Keith Iain; Ridley, Kevin D

    2014-01-01

    IntroductionReferencesStatistical PreliminariesIntroductionProbability DistributionsMoment-Generating FunctionsDiscrete ProcessesSeries of EventsSummaryFurther ReadingMarkovian Population ProcessesIntroductionBirths and DeathsImmigration and the Poisson ProcessThe Effect of MeasurementCorrelation of CountsSummaryFurther ReadingThe Birth-Death-Immigration ProcessIntroductionRate Equations for the ProcessEquation for the Generating FunctionGeneral Time-Dependent SolutionFluctuation Characteristics of a Birth-Death-Immigration PopulationSampling and Measurement ProcessesCorrelation of CountsSumma

  13. Cosmic and terrestrial single-event radiation effects in dynamic random access memories

    International Nuclear Information System (INIS)

    Massengill, L.W.

    1996-01-01

    A review of the literature on single-event radiation effects (SEE) on MOS integrated-circuit dynamic random access memories (DRAM's) is presented. The sources of single-event (SE) radiation particles, causes of circuit information loss, experimental observations of SE information upset, technological developments for error mitigation, and relationships of developmental trends to SE vulnerability are discussed

  14. Variational formulation of relaxed and multi-region relaxed magnetohydrodynamics

    Science.gov (United States)

    Dewar, R. L.; Yoshida, Z.; Bhattacharjee, A.; Hudson, S. R.

    2015-12-01

    > Ideal magnetohydrodynamics (IMHD) is strongly constrained by an infinite number of microscopic constraints expressing mass, entropy and magnetic flux conservation in each infinitesimal fluid element, the latter preventing magnetic reconnection. By contrast, in the Taylor relaxation model for formation of macroscopically self-organized plasma equilibrium states, all these constraints are relaxed save for the global magnetic fluxes and helicity. A Lagrangian variational principle is presented that leads to a new, fully dynamical, relaxed magnetohydrodynamics (RxMHD), such that all static solutions are Taylor states but also allows state with flow. By postulating that some long-lived macroscopic current sheets can act as barriers to relaxation, separating the plasma into multiple relaxation regions, a further generalization, multi-region relaxed magnetohydrodynamics (MRxMHD) is developed.

  15. Relaxation System

    Science.gov (United States)

    1987-01-01

    Environ Corporation's relaxation system is built around a body lounge, a kind of super easy chair that incorporates sensory devices. Computer controlled enclosure provides filtered ionized air to create a feeling of invigoration, enhanced by mood changing aromas. Occupant is also surrounded by multidimensional audio and the lighting is programmed to change colors, patterns, and intensity periodically. These and other sensory stimulators are designed to provide an environment in which the learning process is stimulated, because research has proven that while an individual is in a deep state of relaxation, the mind is more receptive to new information.

  16. A comparison of different measures for dynamical event mean transverse momentum fluctuation

    International Nuclear Information System (INIS)

    Liu Lianshou; Fu Jinghua

    2004-01-01

    Various measures for the dynamical event mean transverse momentum fluctuation are compared with the real dynamical fluctuation using a Monte Carlo model. The variance calculated from the G-moments can reproduce the dynamical variance well, while those obtained by subtraction procedures are approximate measures for not very low multiplicity. Φ pt , proposed by Gazdzicki M and Mrowczynski S, can also serve as an approximate measure after being divided by the square root of mean multiplicity

  17. Adaptive Event-Triggered Control Based on Heuristic Dynamic Programming for Nonlinear Discrete-Time Systems.

    Science.gov (United States)

    Dong, Lu; Zhong, Xiangnan; Sun, Changyin; He, Haibo

    2017-07-01

    This paper presents the design of a novel adaptive event-triggered control method based on the heuristic dynamic programming (HDP) technique for nonlinear discrete-time systems with unknown system dynamics. In the proposed method, the control law is only updated when the event-triggered condition is violated. Compared with the periodic updates in the traditional adaptive dynamic programming (ADP) control, the proposed method can reduce the computation and transmission cost. An actor-critic framework is used to learn the optimal event-triggered control law and the value function. Furthermore, a model network is designed to estimate the system state vector. The main contribution of this paper is to design a new trigger threshold for discrete-time systems. A detailed Lyapunov stability analysis shows that our proposed event-triggered controller can asymptotically stabilize the discrete-time systems. Finally, we test our method on two different discrete-time systems, and the simulation results are included.

  18. Event-based scenario manager for multibody dynamics simulation of heavy load lifting operations in shipyards

    Directory of Open Access Journals (Sweden)

    Sol Ha

    2016-01-01

    Full Text Available This paper suggests an event-based scenario manager capable of creating and editing a scenario for shipbuilding process simulation based on multibody dynamics. To configure various situation in shipyards and easily connect with multibody dynamics, the proposed method has two main concepts: an Actor and an Action List. The Actor represents the anatomic unit of action in the multibody dynamics and can be connected to a specific component of the dynamics kernel such as the body and joint. The user can make a scenario up by combining the actors. The Action List contains information for arranging and executing the actors. Since the shipbuilding process is a kind of event-based sequence, all simulation models were configured using Discrete EVent System Specification (DEVS formalism. The proposed method was applied to simulations of various operations in shipyards such as lifting and erection of a block and heavy load lifting operation using multiple cranes.

  19. Off-centre dynamic Jahn-Teller effect studied by electron spin relaxation of Cu2+ ions in SrF2 crystal

    International Nuclear Information System (INIS)

    Hoffmann, S.K.

    2000-01-01

    Temperature cw-EPR and pulsed EPR electron spin echo experiments were performed for a low concentration of Cu 2+ ions in cubic SrF 2 crystals. The well resolved EPR spectrum at low temperatures (below 30 K) with parameters g parallel = 2.493, g perpendicular = 2.083, A parallel = 121, A perpendicular = 8.7, A parallel ( 19 F) = 135, A parallel ( 19 F) = 33.0 (A-values in 10 -4 cm -1 ) is transformed continuously into a single broad line above 225 K on heating, due to the g-factor shift and EPR line broadening. These data along with the angular variation EPR data are described in terms of a pseudo-Jahn-Teller effect of (T 2g +A 2u )x(a 1g +e g +t 1u ) type producing six off-centre positions of the Cu 2+ ion in the fluorine cube. Above 30 K a two-step averaging g -factor process occurs and is governed by vibronic dynamics between potential wells of the off-centre positions. This dynamics governs the electron spin relaxation in the whole temperature range. The electron spin-lattice relaxation rate 1/T 1 grows rapidly by six orders of magnitude in the temperature range 30-100 K and is determined by the Orbach-type process with excitations to two excited vibronic levels of energy 83 and 174 cm -1 . For higher temperatures the relaxation is dominated by overbarrier jumps leading to the isotropic EPR spectrum above 225 K. The phase memory time T M has the rigid lattice value 3.5 μs determined by nuclear spectral diffusion and its temperature variation is governed by the vibronic dynamics indicating that the excitations between vibronic levels produce a dephasing of the electron spin precessional motion. (author)

  20. Universality in the relaxation dynamics of the composed black-hole-charged-massive-scalar-field system: The role of quantum Schwinger discharge

    Directory of Open Access Journals (Sweden)

    Shahar Hod

    2015-07-01

    Full Text Available The quasinormal resonance spectrum {ωn(μ,q,M,Q}n=0n=∞ of charged massive scalar fields in the charged Reissner–Nordström black-hole spacetime is studied analytically in the large-coupling regime qQ≫Mμ (here {μ,q} are respectively the mass and charge coupling constant of the field, and {M,Q} are respectively the mass and electric charge of the black hole. This physical system provides a striking illustration for the validity of the universal relaxation bound τ×T≥ħ/π in black-hole physics (here τ≡1/ℑω0 is the characteristic relaxation time of the composed black-hole-scalar-field system, and T is the Bekenstein–Hawking temperature of the black hole. In particular, it is shown that the relaxation dynamics of charged massive scalar fields in the charged Reissner–Nordström black-hole spacetime may saturate this quantum time-times-temperature inequality. Interestingly, we prove that potential violations of the bound by light scalar fields are excluded by the Schwinger-type pair-production mechanism (a vacuum polarization effect, a quantum phenomenon which restricts the physical parameters of the composed black-hole-charged-field system to the regime qQ≪M2μ2/ħ.

  1. Smooth transition between SMM and SCM-type slow relaxing dynamics for a 1-D assemblage of {Dy(nitronyl nitroxide)2} units.

    Science.gov (United States)

    Liu, Ruina; Li, Licun; Wang, Xiaoling; Yang, Peipei; Wang, Chao; Liao, Daizheng; Sutter, Jean-Pascal

    2010-04-21

    A model example for size effects on the dynamic susceptibility behavior is provided by the chain compound [{Dy(hfac)(3)NitPhIm(2)}Dy(hfac)(3)] (NitPhIm = 2-[4-(1-imidazole)phenyl]nitronyl nitroxide radical). The Arrhenius plot reveals two relaxation regimes attributed to SMM (Delta = 17.1 K and tau(0) = 17.5 x 10(-6) s) and SCM (Delta = 82.7 K and tau(0) = 8.8 x 10(-8) s) behaviors. The ferromagnetic exchange among the spin carriers has been established for the corresponding Gd derivative.

  2. Dynamics of transfer of electron excitation in a donor-acceptor system with a carbon chain and ways of its relaxation

    Directory of Open Access Journals (Sweden)

    M.M. Sevryukova

    2017-12-01

    Full Text Available The optical properties and dynamics of transport of electron excitation and the ways of its relaxation in the supramolecular D–π–A complex on the basis of merocyanines have been investigated. There have been found two components in the transfer of charge: fast and slow, which correspond to different conformational states of the carbon chain in merocyanines. It was found that the main photoluminescence of the studied molecular solutions of merocyanines by its nature is similar to the exciplex luminescence, as a manifestation of resonant and charge transfer interaction in an excited state. The lifetime in this state is about 2000 ps.

  3. Analytical properties of an Ostrovsky-Whitham type dynamical system for a relaxing medium with spatial memory and its integrable regularization

    International Nuclear Information System (INIS)

    Bogoliubov, N.N. Jr.; Prykarpatsky, A.K.; Gucwa, I.; Golenia, J.

    2007-12-01

    Short-wave perturbations in a relaxing medium, governed by a special reduction of the Ostrovsky evolution equation, and later derived by Whitham, are studied using the gradient-holonomic integrability algorithm.The bi-Hamiltonicity and complete integrability of the corresponding dynamical system is stated and an infinite hierarchy of commuting to each other conservation laws of dispersive type are found. The two- and four-dimensional invariant reductions are studied in detail. The well defined regularization of the model is constructed and its Lax type integrability is discussed. (author)

  4. Estimation Of Young’s Modulus Of Elesticity By The Form Finding Of Grid Shell Structures By The Dynamic Relaxation Method

    Directory of Open Access Journals (Sweden)

    Grančičová Ivana

    2015-12-01

    Full Text Available The paper is basically focused on the process of form finding by the dynamic relaxation method (DRM with the aid of computational tools that enable us to make many calculations with different inputs. There are many important input values with a significant impact on the course of the calculations and the resulting displacement of a structure. One of these values is Young’s modulus of elasticity. This value has a considerable impact on the final displacement of a grid shell structure and the resulting internal forces.

  5. Strongly coupled partitioned six degree-of-freedom rigid body motion solver with Aitken's dynamic under-relaxation

    Directory of Open Access Journals (Sweden)

    Jeng Hei Chow

    2016-07-01

    Full Text Available An implicit method of solving the six degree-of-freedom rigid body motion equations based on the second order Adams-Bashforth-Moulten method was utilised as an improvement over the leapfrog scheme by making modifications to the rigid body motion solver libraries directly. The implementation will depend on predictor-corrector steps still residing within the hybrid Pressure Implicit with Splitting of Operators - Semi-Implicit Method for Pressure Linked Equations (PIMPLE outer corrector loops to ensure strong coupling between fluid and motion. Aitken's under-relaxation is also introduced in this study to optimise the convergence rate and stability of the coupled solver. The resulting coupled solver ran on a free floating object tutorial test case when converged matches the original solver. It further allows a varying 70%–80% reduction in simulation times compared using a fixed under-relaxation to achieve the required stability.

  6. Practical considerations for investigation of protein conformational dynamics by {sup 15}N R{sub 1ρ} relaxation dispersion

    Energy Technology Data Exchange (ETDEWEB)

    Walinda, Erik [Kyoto University, Department of Molecular and Cellular Physiology, Graduate School of Medicine (Japan); Morimoto, Daichi; Shirakawa, Masahiro; Sugase, Kenji, E-mail: sugase@moleng.kyoto-u.ac.jp [Kyoto University, Department of Molecular Engineering, Graduate School of Engineering (Japan)

    2017-03-15

    It is becoming increasingly apparent that proteins are not static entities and that their function often critically depends on accurate sampling of multiple conformational states in aqueous solution. Accordingly, the development of methods to study conformational states in proteins beyond their ground-state structure (“excited states”) has crucial biophysical importance. Here we investigate experimental schemes for optimally probing chemical exchange processes in proteins on the micro- to millisecond timescale by {sup 15}N R{sub 1ρ} relaxation dispersion. The schemes use selective Hartmann–Hahn cross-polarization (CP) transfer for excitation, and derive peak integrals from 1D NMR spectra (Korzhnev et al. in J Am Chem Soc 127:713–721, 2005; Hansen et al. in J Am Chem Soc 131:3818–3819, 2009). Simulation and experiment collectively show that in such CP-based schemes care has to be taken to achieve accurate suppression of undesired off-resonance coherences, when using weak spin-lock fields. This then (i) ensures that relaxation dispersion profiles in the absence of chemical exchange are flat, and (ii) facilitates extraction of relaxation dispersion profiles in crowded regions of the spectrum. Further improvement in the quality of the experimental data is achieved by recording the free-induction decays in an interleaved manner and including a heating-compensation element. The reported considerations will particularly benefit the use of CP-based R{sub 1ρ} relaxation dispersion to analyze conformational exchange processes in larger proteins, where resonance line overlap becomes the main limiting factor.

  7. Dynamic ultraslow optical-matter wave analog of an event horizon.

    Science.gov (United States)

    Zhu, C J; Deng, L; Hagley, E W; Ge, Mo-Lin

    2014-08-29

    We investigate theoretically the effects of a dynamically increasing medium index on optical-wave propagation in a rubidium condensate. A long pulsed pump laser coupling a D2 line transition produces a rapidly growing internally generated field. This results in a significant optical self-focusing effect and creates a dynamically growing medium index anomaly that propagates ultraslowly with the internally generated field. When a fast probe pulse injected after a delay catches up with the dynamically increasing index anomaly, it is forced to slow down and is prohibited from crossing the anomaly, thereby realizing an ultraslow optical-matter wave analog of a dynamic white-hole event horizon.

  8. Modified Statistical Dynamical Diffraction Theory: A Novel Metrological Analysis Method for Partially Relaxed and Defective Carbon-doped Silicon and Silicon Germanium Heterostructures

    Science.gov (United States)

    Shreeman, Paul K.

    The statistical dynamical diffraction theory, which has been initially developed by late Kato remained in obscurity for many years due to intense and difficult mathematical treatment that proved to be quite challenging to implement and apply. With assistance of many authors in past (including Bushuev, Pavlov, Pungeov, and among the others), it became possible to implement this unique x-ray diffraction theory that combines the kinematical (ideally imperfect) and dynamical (the characteristically perfect diffraction) into a single system of equations controlled by two factors determined by long range order and correlation function within the structure. The first stage is completed by the publication (Shreeman and Matyi, J. Appl. Cryst., 43, 550 (2010)) demonstrating the functionality of this theory with new modifications hence called modified statistical dynamical diffraction theory (mSDDT). The foundation of the theory is also incorporated into this dissertation, and the next stage of testing the model against several ion-implanted SiGe materials has been published: (Shreeman and Matyi, physica status solidi (a)208(11), 2533-2538, 2011). The dissertation with all the previous results summarized, dives into comprehensive analysis of HRXRD analyses complete with several different types of reflections (symmetrical, asymmetrical and skewed geometry). The dynamical results (with almost no defects) are compared with well-known commercial software. The defective materials, to which commercially available modeling software falls short, is then characterized and discussed in depth. The results will exemplify the power of the novel approach in the modified statistical dynamical diffraction theory: Ability to detect and measure defective structures qualitatively and quantitatively. The analysis will be compared alongside with TEM data analysis for verification and confirmation. The application of this theory will accelerate the ability to quickly characterize the relaxed

  9. High-resolution esophageal pressure topography is superior to conventional sleeve manometry for the detection of transient lower esophageal sphincter relaxations associated with a reflux event

    NARCIS (Netherlands)

    Rohof, W. O. A.; Boeckxstaens, G. E. E.; Hirsch, D. P.

    2011-01-01

    Transient lower esophageal sphincter relaxations (TLESRs) are the main mechanism underlying gastro-esophageal reflux and are detected during manometric studies using well defined criteria. Recently, high-resolution esophageal pressure topography (HREPT) has been introduced and is now considered as

  10. Co-Design of Event Generator and Dynamic Output Feedback Controller for LTI Systems

    Directory of Open Access Journals (Sweden)

    Dan Ma

    2015-01-01

    Full Text Available This paper presents a co-design method of the event generator and the dynamic output feedback controller for a linear time-invariant (LIT system. The event-triggered condition on the sensor-to-controller and the controller-to-actuator depends on the plant output and the controller output, respectively. A sufficient condition on the existence of the event generator and the dynamic output feedback controller is proposed and the co-design problem can be converted into the feasibility of linear matrix inequalities (LMIs. The LTI system is asymptotically stable under the proposed event-triggered controller and also reduces the computing resources with respect to the time-triggered one. In the end, a numerical example is given to illustrate the effectiveness of the proposed approach.

  11. From beta-relaxation to alpha-decay: Atomistic picture from molecular dynamics simulations for glass-forming Ni0.5Zr0.5 melt

    Energy Technology Data Exchange (ETDEWEB)

    Teichler, Helmar [Inst. Materialphysik, Univ Goettingen (Germany)

    2013-07-01

    In glass-forming melts the decay of structural fluctuation shows the well known transition from beta-relaxation (von-Schweidler law with exponent b) to alpha-decay (KWW law with exponent beta). Here we present results from molecular dynamics simulations for a metallic glass forming Ni0.5Zr0.5 model aimed at giving an understanding of this transition on the atomistic scale. At the considered temperature below mode coupling Tc, the dynamics of the system can be interpreted by residence of the particles in their neighbour cages and escape from the cages as rare processes. Our analysis yields that the fraction of residing particles is characterized by a hierarchical law in time, with von-Schweidler b explicitly related to the exponent of this law. In the alpha-decay regime the stretching exponent reflects, in addition, floating of the cages due to strain effects of escaped particles. Accordingly, the change from beta-relaxation to alpha-decay indicates the transition from low to large fraction of escaped particles.

  12. Mapping the dynamics of ligand reorganization via {sup 13}CH{sub 3} and {sup 13}CH{sub 2} relaxation dispersion at natural abundance

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Jeffrey W., E-mail: jpeng@nd.edu; Wilson, Brian D.; Namanja, Andrew T. [University of Notre Dame, Department of Chemistry and Biochemistry (United States)

    2009-09-15

    Flexible ligands pose challenges to standard structure-activity studies since they frequently reorganize their conformations upon protein binding and catalysis. Here, we demonstrate the utility of side chain {sup 13}C relaxation dispersion measurements to identify and quantify the conformational dynamics that drive this reorganization. The dispersion measurements probe methylene {sup 13}CH{sub 2} and methyl {sup 13}CH{sub 3} groups; the latter are highly prevalent side chain moieties in known drugs. Combining these side chain studies with existing backbone dispersion studies enables a comprehensive investigation of {mu}s-ms conformational dynamics related to binding and catalysis. We perform these measurements at natural {sup 13}C abundance, in congruence with common pharmaceutical research settings. We illustrate these methods through a study of the interaction of a phosphopeptide ligand with the peptidyl-prolyl isomerase, Pin1. The results illuminate the side-chain moieties that undergo conformational readjustments upon complex formation. In particular, we find evidence that multiple exchange processes influence the side chain dispersion profiles. Collectively, our studies illustrate how side-chain relaxation dispersion can shed light on ligand conformational transitions required for activity, and thereby suggest strategies for its optimization.

  13. Declarative Event-Based Workflow as Distributed Dynamic Condition Response Graphs

    DEFF Research Database (Denmark)

    Hildebrandt, Thomas; Mukkamala, Raghava Rao

    2010-01-01

    We present Dynamic Condition Response Graphs (DCR Graphs) as a declarative, event-based process model inspired by the workflow language employed by our industrial partner and conservatively generalizing prime event structures. A dynamic condition response graph is a directed graph with nodes repr...... exemplify the use of distributed DCR Graphs on a simple workflow taken from a field study at a Danish hospital, pointing out their flexibility compared to imperative workflow models. Finally we provide a mapping from DCR Graphs to Buchi-automata....

  14. Event-chain algorithm for the Heisenberg model: Evidence for z≃1 dynamic scaling.

    Science.gov (United States)

    Nishikawa, Yoshihiko; Michel, Manon; Krauth, Werner; Hukushima, Koji

    2015-12-01

    We apply the event-chain Monte Carlo algorithm to the three-dimensional ferromagnetic Heisenberg model. The algorithm is rejection-free and also realizes an irreversible Markov chain that satisfies global balance. The autocorrelation functions of the magnetic susceptibility and the energy indicate a dynamical critical exponent z≈1 at the critical temperature, while that of the magnetization does not measure the performance of the algorithm. We show that the event-chain Monte Carlo algorithm substantially reduces the dynamical critical exponent from the conventional value of z≃2.

  15. LCP method for a planar passive dynamic walker based on an event-driven scheme

    Science.gov (United States)

    Zheng, Xu-Dong; Wang, Qi

    2018-06-01

    The main purpose of this paper is to present a linear complementarity problem (LCP) method for a planar passive dynamic walker with round feet based on an event-driven scheme. The passive dynamic walker is treated as a planar multi-rigid-body system. The dynamic equations of the passive dynamic walker are obtained by using Lagrange's equations of the second kind. The normal forces and frictional forces acting on the feet of the passive walker are described based on a modified Hertz contact model and Coulomb's law of dry friction. The state transition problem of stick-slip between feet and floor is formulated as an LCP, which is solved with an event-driven scheme. Finally, to validate the methodology, four gaits of the walker are simulated: the stance leg neither slips nor bounces; the stance leg slips without bouncing; the stance leg bounces without slipping; the walker stands after walking several steps.

  16. Relaxation from particle production

    Energy Technology Data Exchange (ETDEWEB)

    Hook, Anson; Marques-Tavares, Gustavo [Stanford Institute for Theoretical Physics, Stanford University, Stanford, CA 94305 (United States)

    2016-12-20

    We consider using particle production as a friction force by which to implement a “Relaxion” solution to the electroweak hierarchy problem. Using this approach, we are able to avoid superplanckian field excursions and avoid any conflict with the strong CP problem. The relaxation mechanism can work before, during or after inflation allowing for inflationary dynamics to play an important role or to be completely decoupled.

  17. Mind the gap: modelling event-based and millennial-scale landscape dynamics

    NARCIS (Netherlands)

    Baartman, J.E.M.

    2012-01-01

    This research looks at landscape dynamics – erosion and deposition – from two different perspectives: long-term landscape evolution over millennial timescales on the one hand and short-term event-based erosion and deposition at the other hand. For the first, landscape evolution models (LEMs) are

  18. Incorporating planned activities and events in a dynamic multi-day activity agenda generator

    NARCIS (Netherlands)

    Nijland, L.; Arentze, T.; Timmermans, H.J.P.

    2012-01-01

    Daily agenda formation is influenced by formal commitments, satisfaction of needs surpassing some threshold and the desire to conduct particular activities in anticipation of socially and religiously driven events such as birthdays, Christmas, etc. As part of a research program to develop a dynamic

  19. Energy-Efficient Fault-Tolerant Dynamic Event Region Detection in Wireless Sensor Networks

    DEFF Research Database (Denmark)

    Enemark, Hans-Jacob; Zhang, Yue; Dragoni, Nicola

    2015-01-01

    to a hybrid algorithm for dynamic event region detection, such as real-time tracking of chemical leakage regions. Considering the characteristics of the moving away dynamic events, we propose a return back condition for the hybrid algorithm from distributed neighborhood collaboration, in which a node makes......Fault-tolerant event detection is fundamental to wireless sensor network applications. Existing approaches usually adopt neighborhood collaboration for better detection accuracy, while need more energy consumption due to communication. Focusing on energy efficiency, this paper makes an improvement...... its detection decision based on decisions received from its spatial and temporal neighbors, to local non-communicative decision making. The simulation results demonstrate that the improved algorithm does not degrade the detection accuracy of the original algorithm, while it has better energy...

  20. Relaxation dynamics and transformation kinetics of deeply supercooled water: Temperature, pressure, doping, and proton/deuteron isotope effects.

    Science.gov (United States)

    Lemke, Sonja; Handle, Philip H; Plaga, Lucie J; Stern, Josef N; Seidl, Markus; Fuentes-Landete, Violeta; Amann-Winkel, Katrin; Köster, Karsten W; Gainaru, Catalin; Loerting, Thomas; Böhmer, Roland

    2017-07-21

    Above its glass transition, the equilibrated high-density amorphous ice (HDA) transforms to the low-density pendant (LDA). The temperature dependence of the transformation is monitored at ambient pressure using dielectric spectroscopy and at elevated pressures using dilatometry. It is found that near the glass transition temperature of deuterated samples, the transformation kinetics is 300 times slower than the structural relaxation, while for protonated samples, the time scale separation is at least 30 000 and insensitive to doping. The kinetics of the HDA to LDA transformation lacks a proton/deuteron isotope effect, revealing that this process is dominated by the restructuring of the oxygen network. The x-ray diffraction experiments performed on samples at intermediate transition stages reflect a linear combination of the LDA and HDA patterns implying a macroscopic phase separation, instead of a local intermixing of the two amorphous states.

  1. Numerical evidence for universality in the relaxation dynamics of near-extremal Kerr-Newman black holes

    Energy Technology Data Exchange (ETDEWEB)

    Hod, Shahar [The Ruppin Academic Center, Emeq Hefer (Israel); The Hadassah Institute, Jerusalem (Israel)

    2015-12-15

    The coupled gravitational-electromagnetic quasinormal resonances of charged rotating Kerr-Newman black holes are explored. In particular, using the recently published numerical data of Dias et al. (Phys Rev Lett 114:151101, 2015), we show that the characteristic relaxation times τ ≡ 1/Iω{sub 0} of near-extremal Kerr-Newman black holes in the regime Q/r{sub +} ≤ 0.9 are described, to a very good degree of accuracy, by the simple universal relation τ x T{sub BH} = π{sup -1} (here Q/r{sub +}, and T{sub BH} are respectively the electric charge, horizon radius, and temperature of the Kerr-Newman black hole, and ω{sub 0} is the fundamental quasinormal resonance of the perturbed black-hole spacetime). (orig.)

  2. Numerical evidence for universality in the relaxation dynamics of near-extremal Kerr–Newman black holes

    Energy Technology Data Exchange (ETDEWEB)

    Hod, Shahar, E-mail: shaharhod@gmail.com [The Ruppin Academic Center, 40250, Emeq Hefer (Israel); The Hadassah Institute, 91010, Jerusalem (Israel)

    2015-12-22

    The coupled gravitational-electromagnetic quasinormal resonances of charged rotating Kerr–Newman black holes are explored. In particular, using the recently published numerical data of Dias et al. (Phys Rev Lett 114:151101, 2015), we show that the characteristic relaxation times τ≡1/Iω{sub 0} of near-extremal Kerr–Newman black holes in the regime Q/r{sub +}≤0.9 are described, to a very good degree of accuracy, by the simple universal relation τ×T{sub BH}=π{sup -1} (here Q,r{sub +}, and T{sub BH} are respectively the electric charge, horizon radius, and temperature of the Kerr–Newman black hole, and ω{sub 0} is the fundamental quasinormal resonance of the perturbed black-hole spacetime)

  3. Relaxation dynamics and transformation kinetics of deeply supercooled water: Temperature, pressure, doping, and proton/deuteron isotope effects

    Science.gov (United States)

    Lemke, Sonja; Handle, Philip H.; Plaga, Lucie J.; Stern, Josef N.; Seidl, Markus; Fuentes-Landete, Violeta; Amann-Winkel, Katrin; Köster, Karsten W.; Gainaru, Catalin; Loerting, Thomas; Böhmer, Roland

    2017-07-01

    Above its glass transition, the equilibrated high-density amorphous ice (HDA) transforms to the low-density pendant (LDA). The temperature dependence of the transformation is monitored at ambient pressure using dielectric spectroscopy and at elevated pressures using dilatometry. It is found that near the glass transition temperature of deuterated samples, the transformation kinetics is 300 times slower than the structural relaxation, while for protonated samples, the time scale separation is at least 30 000 and insensitive to doping. The kinetics of the HDA to LDA transformation lacks a proton/deuteron isotope effect, revealing that this process is dominated by the restructuring of the oxygen network. The x-ray diffraction experiments performed on samples at intermediate transition stages reflect a linear combination of the LDA and HDA patterns implying a macroscopic phase separation, instead of a local intermixing of the two amorphous states.

  4. Events

    Directory of Open Access Journals (Sweden)

    Igor V. Karyakin

    2016-02-01

    Full Text Available The 9th ARRCN Symposium 2015 was held during 21st–25th October 2015 at the Novotel Hotel, Chumphon, Thailand, one of the most favored travel destinations in Asia. The 10th ARRCN Symposium 2017 will be held during October 2017 in the Davao, Philippines. International Symposium on the Montagu's Harrier (Circus pygargus «The Montagu's Harrier in Europe. Status. Threats. Protection», organized by the environmental organization «Landesbund für Vogelschutz in Bayern e.V.» (LBV was held on November 20-22, 2015 in Germany. The location of this event was the city of Wurzburg in Bavaria.

  5. Automated reasoning with dynamic event trees: a real-time, knowledge-based decision aide

    International Nuclear Information System (INIS)

    Touchton, R.A.; Gunter, A.D.; Subramanyan, N.

    1988-01-01

    The models and data contained in a probabilistic risk assessment (PRA) Event Sequence Analysis represent a wealth of information that can be used for dynamic calculation of event sequence likelihood. In this paper we report a new and unique computerization methodology which utilizes these data. This sub-system (referred to as PREDICTOR) has been developed and tested as part of a larger system. PREDICTOR performs a real-time (re)calculation of the estimated likelihood of core-melt as a function of plant status. This methodology uses object-oriented programming techniques from the artificial intelligence discipline that enable one to codify event tree and fault tree logic models and associated probabilities developed in a PRA study. Existence of off-normal conditions is reported to PREDICTOR, which then updates the relevant failure probabilities throughout the event tree and fault tree models by dynamically replacing the off-the-shelf (or prior) probabilities with new probabilities based on the current situation. The new event probabilities are immediately propagated through the models (using 'demons') and an updated core-melt probability is calculated. Along the way, the dominant non-success path of each event tree is determined and highlighted. (author)

  6. Data-assisted reduced-order modeling of extreme events in complex dynamical systems.

    Directory of Open Access Journals (Sweden)

    Zhong Yi Wan

    Full Text Available The prediction of extreme events, from avalanches and droughts to tsunamis and epidemics, depends on the formulation and analysis of relevant, complex dynamical systems. Such dynamical systems are characterized by high intrinsic dimensionality with extreme events having the form of rare transitions that are several standard deviations away from the mean. Such systems are not amenable to classical order-reduction methods through projection of the governing equations due to the large intrinsic dimensionality of the underlying attractor as well as the complexity of the transient events. Alternatively, data-driven techniques aim to quantify the dynamics of specific, critical modes by utilizing data-streams and by expanding the dimensionality of the reduced-order model using delayed coordinates. In turn, these methods have major limitations in regions of the phase space with sparse data, which is the case for extreme events. In this work, we develop a novel hybrid framework that complements an imperfect reduced order model, with data-streams that are integrated though a recurrent neural network (RNN architecture. The reduced order model has the form of projected equations into a low-dimensional subspace that still contains important dynamical information about the system and it is expanded by a long short-term memory (LSTM regularization. The LSTM-RNN is trained by analyzing the mismatch between the imperfect model and the data-streams, projected to the reduced-order space. The data-driven model assists the imperfect model in regions where data is available, while for locations where data is sparse the imperfect model still provides a baseline for the prediction of the system state. We assess the developed framework on two challenging prototype systems exhibiting extreme events. We show that the blended approach has improved performance compared with methods that use either data streams or the imperfect model alone. Notably the improvement is more

  7. Data-assisted reduced-order modeling of extreme events in complex dynamical systems.

    Science.gov (United States)

    Wan, Zhong Yi; Vlachas, Pantelis; Koumoutsakos, Petros; Sapsis, Themistoklis

    2018-01-01

    The prediction of extreme events, from avalanches and droughts to tsunamis and epidemics, depends on the formulation and analysis of relevant, complex dynamical systems. Such dynamical systems are characterized by high intrinsic dimensionality with extreme events having the form of rare transitions that are several standard deviations away from the mean. Such systems are not amenable to classical order-reduction methods through projection of the governing equations due to the large intrinsic dimensionality of the underlying attractor as well as the complexity of the transient events. Alternatively, data-driven techniques aim to quantify the dynamics of specific, critical modes by utilizing data-streams and by expanding the dimensionality of the reduced-order model using delayed coordinates. In turn, these methods have major limitations in regions of the phase space with sparse data, which is the case for extreme events. In this work, we develop a novel hybrid framework that complements an imperfect reduced order model, with data-streams that are integrated though a recurrent neural network (RNN) architecture. The reduced order model has the form of projected equations into a low-dimensional subspace that still contains important dynamical information about the system and it is expanded by a long short-term memory (LSTM) regularization. The LSTM-RNN is trained by analyzing the mismatch between the imperfect model and the data-streams, projected to the reduced-order space. The data-driven model assists the imperfect model in regions where data is available, while for locations where data is sparse the imperfect model still provides a baseline for the prediction of the system state. We assess the developed framework on two challenging prototype systems exhibiting extreme events. We show that the blended approach has improved performance compared with methods that use either data streams or the imperfect model alone. Notably the improvement is more significant in

  8. Real-time observation of formation and relaxation dynamics of NH4 in (CH3OH)m(NH3)n clusters.

    Science.gov (United States)

    Yamada, Yuji; Nishino, Yoko; Fujihara, Akimasa; Ishikawa, Haruki; Fuke, Kiyokazu

    2009-03-26

    The formation and relaxation dynamics of NH4(CH3OH)m(NH3)n clusters produced by photolysis of ammonia-methanol mixed clusters has been observed by a time-resolved pump-probe method with femtosecond pulse lasers. From the detailed analysis of the time evolutions of the protonated cluster ions, NH4(+)(CH3OH)m(NH3)n, the kinetic model has been constructed, which consists of sequential three-step reaction: ultrafast hydrogen-atom transfer producing the radical pair (NH4-NH2)*, the relaxation process of radical-pair clusters, and dissociation of the solvated NH4 clusters. The initial hydrogen transfer hardly occurs between ammonia and methanol, implying the unfavorable formation of radical pair, (CH3OH2-NH2)*. The remarkable dependence of the time constants in each step on the number and composition of solvents has been explained by the following factors: hydrogen delocalization within the clusters, the internal conversion of the excited-state radical pair, and the stabilization of NH4 by solvation. The dependence of the time profiles on the probe wavelength is attributed to the different ionization efficiency of the NH4(CH3OH)m(NH3)n clusters.

  9. Self-motion and the α-relaxation in glass-forming polymers. Molecular dynamic simulation and quasielastic neutron scattering results in polyisoprene

    International Nuclear Information System (INIS)

    Colmenero, Juan; Arbe, Arantxa; Alvarez, Fernando; Monkenbusch, Michael; Richter, Dieter; Farago, Bela; Frick, Bernhard

    2003-01-01

    The momentum transfer dependence of the self-motion of main chain hydrogens in the α-relaxation regime of a glass forming polymer, polyisoprene, has been thoroughly investigated by a combined effort involving fully atomistic molecular dynamic simulations and quasielastic neutron scattering measurements. In this way, we have established the existence of a crossover from a Gaussian regime of sublinear diffusion to a strongly non-Gaussian regime at short distances. We show that an anomalous jump diffusion model with a distribution of jump lengths gives rise to such a crossover. This model leads to a time-dependent non-Gaussian parameter exhibiting all features revealed so far from various simulations of different glass forming systems

  10. Application of dynamic relaxation and finite elements methods for the structural analysis of a scale model of a prestressed concrete pressure vessel

    International Nuclear Information System (INIS)

    Tamura, Masaru

    1979-01-01

    A stress and strain analysis was made of a scale model of a Prestressed Concrete Pressure Vessel for a Boiling Water Reactor. The aim of this work was to obtain an experimental verification of the calculation method actually used at IPEN. The 1/10 scale model was built and tested at the Instituto Sperimentale Modelli e Structture, ISMES, Italy. The dynamic relaxation program PV2-A and the finite element programs , FEAST-1 have been used. A comparative analysis of the final results was made. A preliminary analysis was made for a simplified monocavity model now under development at IPEN with the object of confirming the data and the calculation method used. (author)

  11. Calorimetric and relaxation properties of xylitol-water mixtures

    Science.gov (United States)

    Elamin, Khalid; Sjöström, Johan; Jansson, Helén; Swenson, Jan

    2012-03-01

    We present the first broadband dielectric spectroscopy (BDS) and differential scanning calorimetry study of supercooled xylitol-water mixtures in the whole concentration range and in wide frequency (10-2-106 Hz) and temperature (120-365 K) ranges. The calorimetric glass transition, Tg, decreases from 247 K for pure xylitol to about 181 K at a water concentration of approximately 37 wt. %. At water concentrations in the range 29-35 wt. % a plentiful calorimetric behaviour is observed. In addition to the glass transition, almost simultaneous crystallization and melting events occurring around 230-240 K. At higher water concentrations ice is formed during cooling and the glass transition temperature increases to a steady value of about 200 K for all higher water concentrations. This Tg corresponds to an unfrozen xylitol-water solution containing 20 wt. % water. In addition to the true glass transition we also observed a glass transition-like feature at 220 K for all the ice containing samples. However, this feature is more likely due to ice dissolution [A. Inaba and O. Andersson, Thermochim. Acta, 461, 44 (2007)]. In the case of the BDS measurements the presence of water clearly has an effect on both the cooperative α-relaxation and the secondary β-relaxation. The α-relaxation shows a non-Arrhenius temperature dependence and becomes faster with increasing concentration of water. The fragility of the solutions, determined by the temperature dependence of the α-relaxation close to the dynamic glass transition, decreases with increasing water content up to about 26 wt. % water, where ice starts to form. This decrease in fragility with increasing water content is most likely caused by the increasing density of hydrogen bonds, forming a network-like structure in the deeply supercooled regime. The intensity of the secondary β-relaxation of xylitol decreases noticeably already at a water content of 2 wt. %, and at a water content above 5 wt. % it has been replaced by a

  12. Two-dimensional 1H and 31P NMR spectra and restrained molecular dynamics structure of an oligodeoxyribonucleotide duplex refined via a hybrid relaxation matrix procedure

    International Nuclear Information System (INIS)

    Powers, R.; Jones, C.R.; Gorenstein, D.G.

    1990-01-01

    Assignment of the 1H and 31P resonances of a decamer DNA duplex, d(CGCTTAAGCG)2 was determined by two-dimensional COSY, NOESY and 1H-31P Pure Absorption phase Constant time (PAC) heteronuclear correlation spectroscopy. The solution structure of the decamer was calculated by an iterative hybrid relaxation matrix method combined with NOESY-distance restrained molecular dynamics. The distances from the 2D NOESY spectra were calculated from the relaxation rate matrix which were evaluated from a hybrid NOESY volume matrix comprising elements from the experiment and those calculated from an initial structure. The hybrid matrix-derived distances were then used in a restrained molecular dynamics procedure to obtain a new structure that better approximates the NOESY spectra. The resulting partially refined structure was then used to calculate an improved theoretical NOESY volume matrix which is once again merged with the experimental matrix until refinement is complete. JH3'-P coupling constants for each of the phosphates of the decamer were obtained from 1H-31P J-resolved selective proton flip 2D spectra. By using a modified Karplus relationship the C4'-C3'-O3'-P torsional angles were obtained. Comparison of the 31P chemical shifts and JH3'-P coupling constants of this sequence has allowed a greater insight into the various factors responsible for 31P chemical shift variations in oligonucleotides. It also provides an important probe of the sequence-dependent structural variation of the deoxyribose phosphate backbone of DNA in solution. These correlations are consistent with the hypothesis that changes in local helical structure perturb the deoxyribose phosphate backbone. The variation of the 31P chemical shift, and the degree of this variation from one base step to the next is proposed as a potential probe of local helical conformation within the DNA double helix

  13. Effects of amantadine on the dynamics of membrane-bound influenza A M2 transmembrane peptide studied by NMR relaxation

    Energy Technology Data Exchange (ETDEWEB)

    Cady, Sarah D.; Hong Mei [Iowa State University, Department of Chemistry (United States)], E-mail: mhong@iastate.edu

    2009-09-15

    The molecular motions of membrane proteins in liquid-crystalline lipid bilayers lie at the interface between motions in isotropic liquids and in solids. Specifically, membrane proteins can undergo whole-body uniaxial diffusion on the microsecond time scale. In this work, we investigate the {sup 1}H rotating-frame spin-lattice relaxation (T{sub 1{rho}}) caused by the uniaxial diffusion of the influenza A M2 transmembrane peptide (M2TMP), which forms a tetrameric proton channel in lipid bilayers. This uniaxial diffusion was proved before by {sup 2}H, {sup 15}N and {sup 13}C NMR lineshapes of M2TMP in DLPC bilayers. When bound to an inhibitor, amantadine, the protein exhibits significantly narrower linewidths at physiological temperature. We now investigate the origin of this line narrowing through temperature-dependent {sup 1}H T{sub 1{rho}} relaxation times in the absence and presence of amantadine. Analysis of the temperature dependence indicates that amantadine decreases the correlation time of motion from 2.8 {+-} 0.9 {mu}s for the apo peptide to 0.89 {+-} 0.41 {mu}s for the bound peptide at 313 K. Thus the line narrowing of the bound peptide is due to better avoidance of the NMR time scale and suppression of intermediate time scale broadening. The faster diffusion of the bound peptide is due to the higher attempt rate of motion, suggesting that amantadine creates better-packed and more cohesive helical bundles. Analysis of the temperature dependence of ln (T{sub 1{rho}}{sup -1}) indicates that the activation energy of motion increased from 14.0 {+-} 4.0 kJ/mol for the apo peptide to 23.3 {+-} 6.2 kJ/mol for the bound peptide. This higher activation energy indicates that excess amantadine outside the protein channel in the lipid bilayer increases the membrane viscosity. Thus, the protein-bound amantadine speeds up the diffusion of the helical bundles while the excess amantadine in the bilayer increases the membrane viscosity.

  14. Quantitative measurement of exchange dynamics in proteins via {sup 13}C relaxation dispersion of {sup 13}CHD{sub 2}-labeled samples

    Energy Technology Data Exchange (ETDEWEB)

    Rennella, Enrico; Schuetz, Anne K.; Kay, Lewis E., E-mail: kay@pound.med.utoronto.ca [University of Toronto, Departments of Molecular Genetics, Biochemistry and Chemistry (Canada)

    2016-06-15

    Methyl groups have emerged as powerful probes of protein dynamics with timescales from picoseconds to seconds. Typically, studies involving high molecular weight complexes exploit {sup 13}CH{sub 3}- or {sup 13}CHD{sub 2}-labeling in otherwise highly deuterated proteins. The {sup 13}CHD{sub 2} label offers the unique advantage of providing {sup 13}C, {sup 1}H and {sup 2}H spin probes, however a disadvantage has been the lack of an experiment to record {sup 13}C Carr–Purcell–Meiboom–Gill relaxation dispersion that monitors millisecond time-scale dynamics, implicated in a wide range of biological processes. Herein we develop an experiment that eliminates artifacts that would normally result from the scalar coupling between {sup 13}C and {sup 2}H spins that has limited applications in the past. The utility of the approach is established with a number of applications, including measurement of ms dynamics of a disease mutant of a 320 kDa p97 complex.

  15. Segmental dynamics in poly(methyl acrylate)-poly(methyl methacrylate) sequential interpenetrating polymer networks: structural relaxation experiments

    International Nuclear Information System (INIS)

    Ribelles, J L Gomez; Duenas, J M Meseguer; Cabanilles, C Torregrosa; Pradas, M Monleon

    2003-01-01

    The miscibility of poly(methyl acrylate)-poly(methyl methacrylate) sequential interpenetrating polymer networks (IPNs) has been studied by probing the conformational mobility of the component polymer chains. These IPNs exhibit the phenomenon of forced compatibilization. In a conventional heating differential scanning calorimetry (DSC) thermogram, the highly cross-linked IPN shows a single glass transition which covers a temperature interval of around 100 d eg C; in contrast, loosely cross-linked IPNs show two glass transitions. The conformational mobility in these IPNs is studied by subjecting them to isothermal annealings at temperatures in the region of the glass transition and below it. The DSC scans measured after these treatments allow one to determine the temperature interval in which the sample is out of thermodynamic equilibrium but keeps enough conformational mobility to relax during the isothermal annealing in such a way that the enthalpy loss is measurable with the sensitivity of a conventional DSC. The results allow one to reach some conclusions about the compositional distribution of the IPN on the nanometre scale

  16. Ultrafast table-top dynamic radiography of spontaneous or stimulated events

    Science.gov (United States)

    Smilowitz, Laura; Henson, Bryan

    2018-01-16

    Disclosed herein are representative embodiments of methods, apparatus, and systems for performing radiography. For example, certain embodiments concern X-ray radiography of spontaneous events. Particular embodiments of the disclosed technology provide continuous high-speed x-ray imaging of spontaneous dynamic events, such as explosions, reaction-front propagation, and even material failure. Further, in certain embodiments, x-ray activation and data collection activation are triggered by the object itself that is under observation (e.g., triggered by a change of state detected by one or more sensors monitoring the object itself).

  17. Automated Testing Techniques for Event-Driven and Dynamically Typed Software Applications

    DEFF Research Database (Denmark)

    Adamsen, Christoffer Quist

    techniques to address each of the challenges. We present a new methodology that extends the error detection capabilities of existing, manually written Android test suites. In the context of JavaScript web applications, we present practical race detectors for detecting AJAX and initialization races......, and a technique that can prevent event race errors by restricting the nondeterminism. Finally, we present a notion of test completeness for dynamic languages, along with a hybrid static/dynamic analysis framework that approximates test completeness, and demonstrate the usefulness of test completeness facts...

  18. On the dynamics of synoptic scale cyclones associated with flood events in Crete

    Science.gov (United States)

    Flocas, Helena; Katavoutas, George; Tsanis, Ioannis; Iordanidou, Vasiliki

    2015-04-01

    Flood events in the Mediterranean are frequently linked to synoptic scale cyclones, although topographical or anthropogenic factors can play important role. The knowledge of the vertical profile and dynamics of these cyclones can serve as a reliable early flood warning system that can further help in hazard mitigation and risk management planning. Crete is the second largest island in the eastern Mediterranean region, being characterized by high precipitation amounts during winter, frequently causing flood events. The objective of this study is to examine the dynamic and thermodynamic mechanisms at the upper and lower levels responsible for the generation of these events, according to their origin domain. The flooding events were recorded for a period of almost 20 years. The surface cyclones are identified with the aid of MS scheme that was appropriately modified and extensively employed in the Mediterranean region in previous studies. Then, the software VTS, specially developed for the Mediterranean cyclones, was employed to investigate the vertical extension, slope and dynamic/kinematic characteristics of the surface cyclones. Composite maps of dynamic/thermodynamic parameters, such as potential vorticity, temperature advection, divergence, surface fluxes were then constructed before and during the time of the flood. The dataset includes 6-hourly surface and isobaric analyses on a 0.5° x 0.5° regular latitude-longitude grid, as derived from the ERA-INTERIM Reanalysis of the ECMWF. It was found that cyclones associated with flood events in Crete mainly generate over northern Africa or southern eastern Mediterranean region and experience their minimum pressure over Crete or southwestern Greece. About 84% of the cyclones extend up to 500hPa, demonstrating that they are well vertically well-organized systems. The vast majority (almost 84%) of the surface cyclones attains their minimum pressure when their 500 hpa counterparts are located in the NW or SW, confirming

  19. Action-Derived Molecular Dynamics in the Study of Rare Events

    Energy Technology Data Exchange (ETDEWEB)

    Passerone, Daniele; Parrinello, Michele

    2001-09-03

    We present a practical method to generate classical trajectories with fixed initial and final boundary conditions. Our method is based on the minimization of a suitably defined discretized action. The method finds its most natural application in the study of rare events. Its capabilities are illustrated by nontrivial examples. The algorithm lends itself to straightforward parallelization, and when combined with ab initio molecular dynamics it promises to offer a powerful tool for the study of chemical reactions.

  20. Action-Derived Molecular Dynamics in the Study of Rare Events

    International Nuclear Information System (INIS)

    Passerone, Daniele; Parrinello, Michele

    2001-01-01

    We present a practical method to generate classical trajectories with fixed initial and final boundary conditions. Our method is based on the minimization of a suitably defined discretized action. The method finds its most natural application in the study of rare events. Its capabilities are illustrated by nontrivial examples. The algorithm lends itself to straightforward parallelization, and when combined with ab initio molecular dynamics it promises to offer a powerful tool for the study of chemical reactions

  1. Preface: Impacts of extreme climate events and disturbances on carbon dynamics

    Science.gov (United States)

    Xiao, Jingfeng; Liu, Shuguang; Stoy, Paul C.

    2016-01-01

    The impacts of extreme climate events and disturbances (ECE&D) on the carbon cycle have received growing attention in recent years. This special issue showcases a collection of recent advances in understanding the impacts of ECE&D on carbon cycling. Notable advances include quantifying how harvesting activities impact forest structure, carbon pool dynamics, and recovery processes; observed drastic increases of the concentrations of dissolved organic carbon and dissolved methane in thermokarst lakes in western Siberia during a summer warming event; disentangling the roles of herbivores and fire on forest carbon dioxide flux; direct and indirect impacts of fire on the global carbon balance; and improved atmospheric inversion of regional carbon sources and sinks by incorporating disturbances. Combined, studies herein indicate several major research needs. First, disturbances and extreme events can interact with one another, and it is important to understand their overall impacts and also disentangle their effects on the carbon cycle. Second, current ecosystem models are not skillful enough to correctly simulate the underlying processes and impacts of ECE&D (e.g., tree mortality and carbon consequences). Third, benchmark data characterizing the timing, location, type, and magnitude of disturbances must be systematically created to improve our ability to quantify carbon dynamics over large areas. Finally, improving the representation of ECE&D in regional climate/earth system models and accounting for the resulting feedbacks to climate are essential for understanding the interactions between climate and ecosystem dynamics.

  2. Utilizing the dynamic stark shift as a probe for dielectric relaxation in photosynthetic reaction centers during charge separation.

    Science.gov (United States)

    Guo, Zhi; Lin, Su; Woodbury, Neal W

    2013-09-26

    In photosynthetic reaction centers, the electric field generated by light-induced charge separation produces electrochromic shifts in the transitions of reaction center pigments. The extent of this Stark shift indirectly reflects the effective field strength at a particular cofactor in the complex. The dynamics of the effective field strength near the two monomeric bacteriochlorophylls (BA and BB) in purple photosynthetic bacterial reaction centers has been explored near physiological temperature by monitoring the time-dependent Stark shift during charge separation (dynamic Stark shift). This dynamic Stark shift was determined through analysis of femtosecond time-resolved absorbance change spectra recorded in wild type reaction centers and in four mutants at position M210. In both wild type and the mutants, the kinetics of the dynamic Stark shift differ from those of electron transfer, though not in the same way. In wild type, the initial electron transfer and the increase in the effective field strength near the active-side monomer bacteriochlorophyll (BA) occur in synchrony, but the two signals diverge on the time scale of electron transfer to the quinone. In contrast, when tyrosine is replaced by aspartic acid at M210, the kinetics of the BA Stark shift and the initial electron transfer differ, but transfer to the quinone coincides with the decay of the Stark shift. This is interpreted in terms of differences in the dynamics of the local dielectric environment between the mutants and the wild type. In wild type, comparison of the Stark shifts associated with BA and BB on the two quasi-symmetric halves of the reaction center structure confirm that the effective dielectric constants near these cofactors are quite different when the reaction center is in the state P(+)QA(-), as previously determined by Steffen et al. at 1.5 K (Steffen, M. A.; et al. Science 1994, 264, 810-816). However, it is not possible to determine from static, low-temperature measurments if the

  3. Magneto-optical detection of the relaxation dynamics of alloy nanoparticles with a high-stability magnetic circular dichroism setup

    International Nuclear Information System (INIS)

    Cavigli, L.; Julian Fernandez, C. de; Gatteschi, D.; Gurioli, M.; Sangregorio, C.; Mattei, G.; Mazzoldi, P.; Bogani, L.

    2007-01-01

    We present a versatile high-stability and high-sensitivity magneto-optical setup that allows transmission and reflection measurements at high fields and low temperatures. We apply the technique to measure the decay in time of the magnetization of highly monodisperse 3.3nm Co 33 Ni 67 alloy nanoparticles embedded in a silica host. We demonstrate the possibility of observing the dynamics of the magnetization over a macroscopic timescale in dilute samples, where other techniques are unavailable

  4. Magneto-optical detection of the relaxation dynamics of alloy nanoparticles with a high-stability magnetic circular dichroism setup

    Science.gov (United States)

    Cavigli, L.; de Julián Fernández, C.; Gatteschi, D.; Gurioli, M.; Sangregorio, C.; Mattei, G.; Mazzoldi, P.; Bogani, L.

    2007-09-01

    We present a versatile high-stability and high-sensitivity magneto-optical setup that allows transmission and reflection measurements at high fields and low temperatures. We apply the technique to measure the decay in time of the magnetization of highly monodisperse 3.3 nm Co33Ni67 alloy nanoparticles embedded in a silica host. We demonstrate the possibility of observing the dynamics of the magnetization over a macroscopic timescale in dilute samples, where other techniques are unavailable.

  5. Conformational exchange in pseudoazurin: different kinds of microsecond to millisecond dynamics characterized by their pH and buffer dependence using 15N NMR relaxation.

    Science.gov (United States)

    Hass, Mathias A S; Vlasie, Monica D; Ubbink, Marcellus; Led, Jens J

    2009-01-13

    The dynamics of the reduced form of the blue copper protein pseudoazurin from Alcaligenes faecalis S-6 was investigated using (15)N relaxation measurements with a focus on the dynamics of the micro- to millisecond time scale. Different types of conformational exchange processes are observed in the protein on this time scale. At low pH, the protonation of the C-terminal copper-ligated histidine, His81, is observed. A comparison of the exchange rates in the presence and absence of added buffers shows that the protonation is the rate-limiting step at low buffer concentrations. This finding agrees with previous observations for other blue copper proteins, e.g., amicyanin and plastocyanin. However, in contrast to plastocyanin but similar to amicyanin, a second conformational exchange between different conformations of the protonated copper site is observed at low pH, most likely triggered by the protonation of His81. This process has been further characterized using CPMG dispersion methods and is found to occur with a rate of a few thousands per second. Finally, micro- to millisecond motions are observed in one of the loop regions and in the alpha-helical regions. These motions are unaffected by pH and are unrelated to the conformational changes in the active site of pseudoazurin.

  6. Monte Carlo study for the dynamical fluctuations inside a single jet in 2-jet events

    International Nuclear Information System (INIS)

    Zhang Kunshi; Liu Lianshou; Yin Jianwu; Chen Gang; Liu Chao

    2002-01-01

    The dynamical fluctuations inside a single jet in the 2-jet events produced in e + e - collisions at 91.2 GeV have been studied using Monte Carlo method. The results show that, the anisotropy of dynamical fluctuations inside a single jet changes remarkably with the variation of the cut parameter y cut . A transition point (γ p t = γ ψ ≠γ y ) exists, where the dynamical fluctuations are anisotropic in the longitudinal-transverse plan and isotropic in the transverse planes. It indicates that the y cut corresponding to the transition point is a physically reasonable cutting parameter for selecting jets and, meanwhile, the relative transverse momentum k t at the transition point is the scale for the determination of physical jets. This conclusion is in good agreement with the experimental fact that the third jet (gluon jet) was historically first discovered in the energy region 17-30 GeV in e + e - collisions

  7. Magneto-optical detection of the relaxation dynamics of alloy nanoparticles with a high-stability magnetic circular dichroism setup

    Energy Technology Data Exchange (ETDEWEB)

    Cavigli, L. [L.E.N.S. University of Florence, via N. Carrara 1, I-50019 Sesto F.no (Italy); INSTM Department of Chemistry, University of Florence, via della Lastruccia 5, I-50019 Sesto F.no (Italy); Julian Fernandez, C. de [Department of Physics, University of Padua, via Marzolo 8, I-35131 Padova (Italy); Gatteschi, D. [INSTM Department of Chemistry, University of Florence, via della Lastruccia 5, I-50019 Sesto F.no (Italy); Gurioli, M. [L.E.N.S. University of Florence, via N. Carrara 1, I-50019 Sesto F.no (Italy); Sangregorio, C. [INSTM Department of Chemistry, University of Florence, via della Lastruccia 5, I-50019 Sesto F.no (Italy)]. E-mail: claudio.sangregorio@unifi.it; Mattei, G. [Department of Physics, University of Padua, via Marzolo 8, I-35131 Padova (Italy); Mazzoldi, P. [Department of Physics, University of Padua, via Marzolo 8, I-35131 Padova (Italy); Bogani, L. [L.E.N.S. University of Florence, via N. Carrara 1, I-50019 Sesto F.no (Italy); INSTM Department of Chemistry, University of Florence, via della Lastruccia 5, I-50019 Sesto F.no (Italy)

    2007-09-15

    We present a versatile high-stability and high-sensitivity magneto-optical setup that allows transmission and reflection measurements at high fields and low temperatures. We apply the technique to measure the decay in time of the magnetization of highly monodisperse 3.3nm Co{sub 33}Ni{sub 67} alloy nanoparticles embedded in a silica host. We demonstrate the possibility of observing the dynamics of the magnetization over a macroscopic timescale in dilute samples, where other techniques are unavailable.

  8. Probabilistic Dynamics for Integrated Analysis of Accident Sequences considering Uncertain Events

    Directory of Open Access Journals (Sweden)

    Robertas Alzbutas

    2015-01-01

    Full Text Available The analytical/deterministic modelling and simulation/probabilistic methods are used separately as a rule in order to analyse the physical processes and random or uncertain events. However, in the currently used probabilistic safety assessment this is an issue. The lack of treatment of dynamic interactions between the physical processes on one hand and random events on the other hand causes the limited assessment. In general, there are a lot of mathematical modelling theories, which can be used separately or integrated in order to extend possibilities of modelling and analysis. The Theory of Probabilistic Dynamics (TPD and its augmented version based on the concept of stimulus and delay are introduced for the dynamic reliability modelling and the simulation of accidents in hybrid (continuous-discrete systems considering uncertain events. An approach of non-Markovian simulation and uncertainty analysis is discussed in order to adapt the Stimulus-Driven TPD for practical applications. The developed approach and related methods are used as a basis for a test case simulation in view of various methods applications for severe accident scenario simulation and uncertainty analysis. For this and for wider analysis of accident sequences the initial test case specification is then extended and discussed. Finally, it is concluded that enhancing the modelling of stimulated dynamics with uncertainty and sensitivity analysis allows the detailed simulation of complex system characteristics and representation of their uncertainty. The developed approach of accident modelling and analysis can be efficiently used to estimate the reliability of hybrid systems and at the same time to analyze and possibly decrease the uncertainty of this estimate.

  9. Dynamic Properties of Glass-Formers Governed by the Frequency Dispersion of the Structural α-Relaxation: Examples from Prilocaine.

    Science.gov (United States)

    Wojnarowska, Z; Rams-Baron, M; Knapik, J; Ngai, K L; Kruk, D; Paluch, M

    2015-10-01

    General and fundamental properties of glass-formers of various chemical bonding and physical structures have been found in the recent past. These important findings should be key to gain basic understanding of the dynamics at all time scales leading to glass transition. However, the entirety of these general properties has not been found in a single glass-former. For others to appreciate the importance of these properties, they need to collect the supporting experimental data from different glass-formers scattered over many publications. This hurdle may account for the current lack of universal recognition of the importance of these general properties by the research community. In this paper we present experimental studies of the dynamic processes over a broad range of time scales of a single glass-former, prilocaine. Practically the entire collection of fundamental properties has been found in this system. The advance should heighten the awareness of the importance of these properties in anyone's effort to solve the glass transition problem.

  10. Development of a sub-scale dynamics model for pressure relaxation of multi-material cells in Lagrangian hydrodynamics

    Directory of Open Access Journals (Sweden)

    Canfield T.R.

    2011-01-01

    Full Text Available We have extended the Sub-Scale Dynamics (SSD closure model for multi-fluid computational cells. Volume exchange between two materials is based on the interface area and a notional interface translation velocity, which is derived from a linearized Riemann solution. We have extended the model to cells with any number of materials, computing pressure-difference-driven volume and energy exchange as the algebraic sum of pairwise interactions. In multiple dimensions, we rely on interface reconstruction to provide interface areas and orientations, and centroids of material polygons. In order to prevent unphysically large or unmanageably small material volumes, we have used a flux-corrected transport (FCT approach to limit the pressure-driven part of the volume exchange. We describe the implementation of this model in two dimensions in the FLAG hydrodynamics code. We also report on Lagrangian test calculations, comparing them with others made using a mixed-zone closure model due to Tipton, and with corresponding calculations made with only single-material cells. We find that in some cases, the SSD model more accurately predicts the state of material in mixed cells. By comparing the algebraic forms of both models, we identify similar dependencies on state and dynamical variables, and propose explanations for the apparent higher fidelity of the SSD model.

  11. Heinrich event 1: an example of dynamical ice-sheet reaction to oceanic changes

    Directory of Open Access Journals (Sweden)

    J. Álvarez-Solas

    2011-11-01

    Full Text Available Heinrich events, identified as enhanced ice-rafted detritus (IRD in North Atlantic deep sea sediments (Heinrich, 1988; Hemming, 2004 have classically been attributed to Laurentide ice-sheet (LIS instabilities (MacAyeal, 1993; Calov et al., 2002; Hulbe et al., 2004 and assumed to lead to important disruptions of the Atlantic meridional overturning circulation (AMOC and North Atlantic deep water (NADW formation. However, recent paleoclimate data have revealed that most of these events probably occurred after the AMOC had already slowed down or/and NADW largely collapsed, within about a thousand years (Hall et al., 2006; Hemming, 2004; Jonkers et al., 2010; Roche et al., 2004, implying that the initial AMOC reduction could not have been caused by the Heinrich events themselves.

    Here we propose an alternative driving mechanism, specifically for Heinrich event 1 (H1; 18 to 15 ka BP, by which North Atlantic ocean circulation changes are found to have strong impacts on LIS dynamics. By combining simulations with a coupled climate model and a three-dimensional ice sheet model, our study illustrates how reduced NADW and AMOC weakening lead to a subsurface warming in the Nordic and Labrador Seas resulting in rapid melting of the Hudson Strait and Labrador ice shelves. Lack of buttressing by the ice shelves implies a substantial ice-stream acceleration, enhanced ice-discharge and sea level rise, with peak values 500–1500 yr after the initial AMOC reduction. Our scenario modifies the previous paradigm of H1 by solving the paradox of its occurrence during a cold surface period, and highlights the importance of taking into account the effects of oceanic circulation on ice-sheets dynamics in order to elucidate the triggering mechanism of Heinrich events.

  12. 3-D Dynamic rupture simulation for the 2016 Kumamoto, Japan, earthquake sequence: Foreshocks and M6 dynamically triggered event

    Science.gov (United States)

    Ando, R.; Aoki, Y.; Uchide, T.; Imanishi, K.; Matsumoto, S.; Nishimura, T.

    2016-12-01

    A couple of interesting earthquake rupture phenomena were observed associated with the sequence of the 2016 Kumamoto, Japan, earthquake sequence. The sequence includes the April 15, 2016, Mw 7.0, mainshock, which was preceded by multiple M6-class foreshock. The mainshock mainly broke the Futagawa fault segment striking NE-SW direction extending over 50km, and it further triggered a M6-class earthquake beyond the distance more than 50km to the northeast (Uchide et al., 2016, submitted), where an active volcano is situated. Compiling the data of seismic analysis and InSAR, we presumed this dynamic triggering event occurred on an active fault known as Yufuin fault (Ando et al., 2016, JPGU general assembly). It is also reported that the coseismic slip was significantly large at a shallow portion of Futagawa Fault near Aso volcano. Since the seismogenic depth becomes significantly shallower in these two areas, we presume the geothermal anomaly play a role as well as the elasto-dynamic processes associated with the coseismic rupture. In this study, we conducted a set of fully dynamic simulations of the earthquake rupture process by assuming the inferred 3D fault geometry and the regional stress field obtained referring the stress tensor inversion. As a result, we showed that the dynamic rupture process was mainly controlled by the irregularity of the fault geometry subjected to the gently varying regional stress field. The foreshocks ruptures have been arrested at the juncture of the branch faults. We also show that the dynamic triggering of M-6 class earthquakes occurred along the Yufuin fault segment (located 50 km NE) because of the strong stress transient up to a few hundreds of kPa due to the rupture directivity effect of the M-7 event. It is also shown that the geothermal condition may lead to the susceptible condition of the dynamic triggering by considering the plastic shear zone on the down dip extension of the Yufuin segment, situated in the vicinity of an

  13. Optical excitation and electron relaxation dynamics at semiconductor surfaces: a combined approach of density functional and density matrix theory applied to the silicon (001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Buecking, N

    2007-11-05

    In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the

  14. Imaging the ultrafast Kerr effect, free carrier generation, relaxation and ablation dynamics of Lithium Niobate irradiated with femtosecond laser pulses

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Lechuga, Mario, E-mail: mario@io.cfmac.csic.es; Siegel, Jan, E-mail: j.siegel@io.cfmac.csic.es; Hernandez-Rueda, Javier; Solis, Javier [Laser Processing Group, Instituto de Optica, CSIC, Serrano 121, 28006 Madrid (Spain)

    2014-09-21

    The interaction of high-power single 130 femtosecond (fs) laser pulses with the surface of Lithium Niobate is experimentally investigated in this work. The use of fs-resolution time-resolved microscopy allows us to separately observe the instantaneous optical Kerr effect induced by the pulse and the generation of a free electron plasma. The maximum electron density is reached 550 fs after the peak of the Kerr effect, confirming the presence of a delayed carrier generation mechanism. We have also observed the appearance of transient Newton rings during the ablation process, related to optical interference of the probe beam reflected at the front and back surface of the ablating layer. Finally, we have analyzed the dynamics of the photorefractive effect on a much longer time scale by measuring the evolution of the transmittance of the irradiated area for different fluences below the ablation threshold.

  15. Imaging the ultrafast Kerr effect, free carrier generation, relaxation and ablation dynamics of Lithium Niobate irradiated with femtosecond laser pulses

    International Nuclear Information System (INIS)

    Garcia-Lechuga, Mario; Siegel, Jan; Hernandez-Rueda, Javier; Solis, Javier

    2014-01-01

    The interaction of high-power single 130 femtosecond (fs) laser pulses with the surface of Lithium Niobate is experimentally investigated in this work. The use of fs-resolution time-resolved microscopy allows us to separately observe the instantaneous optical Kerr effect induced by the pulse and the generation of a free electron plasma. The maximum electron density is reached 550 fs after the peak of the Kerr effect, confirming the presence of a delayed carrier generation mechanism. We have also observed the appearance of transient Newton rings during the ablation process, related to optical interference of the probe beam reflected at the front and back surface of the ablating layer. Finally, we have analyzed the dynamics of the photorefractive effect on a much longer time scale by measuring the evolution of the transmittance of the irradiated area for different fluences below the ablation threshold.

  16. Low latitude ionospheric TEC responses to dynamical complexity quantifiers during transient events over Nigeria

    Science.gov (United States)

    Ogunsua, Babalola

    2018-04-01

    In this study, the values of chaoticity and dynamical complexity parameters for some selected storm periods in the year 2011 and 2012 have been computed. This was done using detrended TEC data sets measured from Birnin-Kebbi, Torro and Enugu global positioning system (GPS) receiver stations in Nigeria. It was observed that the significance of difference (SD) values were mostly greater than 1.96 but surprisingly lower than 1.96 in September 29, 2011. The values of the computed SD were also found to be reduced in most cases just after the geomagnetic storm with immediate recovery a day after the main phase of the storm while the values of Lyapunov exponent and Tsallis entropy remains reduced due to the influence of geomagnetic storms. It was also observed that the value of Lyapunov exponent and Tsallis entropy reveals similar variation pattern during storm period in most cases. Also recorded surprisingly were lower values of these dynamical quantifiers during the solar flare event of August 8th and 9th of the year 2011. The possible mechanisms responsible for these observations were further discussed in this work. However, our observations show that the ionospheric effects of some other possible transient events other than geomagnetic storms can also be revealed by the variation of chaoticity and dynamical complexity.

  17. Dynamic EBF1 occupancy directs sequential epigenetic and transcriptional events in B-cell programming.

    Science.gov (United States)

    Li, Rui; Cauchy, Pierre; Ramamoorthy, Senthilkumar; Boller, Sören; Chavez, Lukas; Grosschedl, Rudolf

    2018-01-15

    B-cell fate determination requires the action of transcription factors that operate in a regulatory network to activate B-lineage genes and repress lineage-inappropriate genes. However, the dynamics and hierarchy of events in B-cell programming remain obscure. To uncouple the dynamics of transcription factor expression from functional consequences, we generated induction systems in developmentally arrested Ebf1 -/- pre-pro-B cells to allow precise experimental control of EBF1 expression in the genomic context of progenitor cells. Consistent with the described role of EBF1 as a pioneer transcription factor, we show in a time-resolved analysis that EBF1 occupancy coincides with EBF1 expression and precedes the formation of chromatin accessibility. We observed dynamic patterns of EBF1 target gene expression and sequential up-regulation of transcription factors that expand the regulatory network at the pro-B-cell stage. A continuous EBF1 function was found to be required for Cd79a promoter activity and for the maintenance of an accessible chromatin domain that is permissive for binding of other transcription factors. Notably, transient EBF1 occupancy was detected at lineage-inappropriate genes prior to their silencing in pro-B cells. Thus, persistent and transient functions of EBF1 allow for an ordered sequence of epigenetic and transcriptional events in B-cell programming. © 2018 Li et al.; Published by Cold Spring Harbor Laboratory Press.

  18. Dynamics of pollutant indicators during flood events in a small river under strong anthropogenic pressures

    Science.gov (United States)

    Brion, Natacha; Carbonnel, Vincent; Elskens, Marc; Claeys, Philippe; Verbanck, Michel A.

    2017-04-01

    In densely populated regions, human activities profoundly modify natural water circulation as well as water quality, with increased hydrological risks (floods, droughts,…) and chemical hazards (untreated sewage releases, industrial pollution,…) as consequence. In order to assess water and pollutants dynamics and their mass-balance in strongly modified river system, it is important to take into account high flow events as a significant fraction of water and pollutants loads may occur during these short events which are generally underrepresented in classical mass balance studies. A good example of strongly modified river systems is the Zenne river in and around the city of Brussels (Belgium).The Zenne River (Belgium) is a rather small but dynamic rain fed river (about 10 m3/s in average) that is under the influence of strong contrasting anthropogenic pressures along its stretch. While the upstream part of its basin is rather characterized by agricultural land-use, urban and industrial areas dominate the downstream part. In particular, the city of Brussels (1.1M inhabitants) discharges in the Zenne River amounts of wastewater that are large compared to the natural riverine flow. In order to assess water and pollutants dynamics and their mass-balance in the Zenne hydrographic network, we followed water flows and concentrations of several water quality tracers during several flood episodes with an hourly frequency and at different locations along the stretch of the River. These parameters were chosen as indicators of a whole range of pollutions and anthropogenic activities. Knowledge of the high-frequency pollutants dynamics during floods is required for establishing accurate mass-balances of these elements. We thus report here the dynamics of selected parameters during entire flood events, from the baseline to the decreasing phase and at hourly frequency. Dynamics at contrasting locations, in agricultural or urban environments are compared. In particular, the

  19. Event-scale soil moisture dynamics in open evergreen woodlands of southwest Spain

    Science.gov (United States)

    Lozano-Parra, F. J.; Schnabel, S.; Gómez-Gutiérrez, Á.

    2012-04-01

    Rangelands with a disperse tree cover occupy large areas in the southwestern part of the Iberian Pensinsula and are also found in other parts of the Mediterranean. In these grazed, savannah-like ecosystems water constitutes an important limiting factor for vegetation growth because of the strong summer dry period, being annual potential evapotranspiration nearly twice the annual rainfall amount. Previous studies by other authors have found lower values of soil water content below the tree canopy as compared to the open spaces, covered only by herbaceous vegetation. The differences of soil moisture between tree covered and open areas vary along the year, commonly being highest during autumn, low when water content is close to saturation and the inverse during summer. Our studies indicate that the spatial variation of soil moisture is more complex. The main objective of this study is to analyze soil moisture dynamics at the event scale below tree canopies (Quercus ilex) and in the open spaces. Because soils are commonly very shallow (Cambisols) and a high concentration of grass roots is found in the upper five centimetres, soil moisture measurements were carried out at 5, 10, 15 and 30 cm depth. The study area is located in Extremadura. Soil moisture is measured continuously with a time resolution of 30 minutes using capacitive sensors and rainfall is registered in 5-minute intervals. Data from the hydrological year 2010-11 are presented here. The main factors which produced variations in soil moisture in the upper 5 cm were amount and duration of the rainfall event. Rainfall intensity was also significantly related with an increase of the water content. At greater depth (30 cm) soil moisture was more related with antecedent rainfall, as for example the amount of precipitation registered 30 and 45 days prior to the event. Maximum increases produced by a rainstorm were approximately 0.20 m3m-3 in grasslands and 0.17 m3m-3 below tree canopy. However, in the uppermost

  20. Neural dynamics of event segmentation in music: converging evidence for dissociable ventral and dorsal networks.

    Science.gov (United States)

    Sridharan, Devarajan; Levitin, Daniel J; Chafe, Chris H; Berger, Jonathan; Menon, Vinod

    2007-08-02

    The real world presents our sensory systems with a continuous stream of undifferentiated information. Segmentation of this stream at event boundaries is necessary for object identification and feature extraction. Here, we investigate the neural dynamics of event segmentation in entire musical symphonies under natural listening conditions. We isolated time-dependent sequences of brain responses in a 10 s window surrounding transitions between movements of symphonic works. A strikingly right-lateralized network of brain regions showed peak response during the movement transitions when, paradoxically, there was no physical stimulus. Model-dependent and model-free analysis techniques provided converging evidence for activity in two distinct functional networks at the movement transition: a ventral fronto-temporal network associated with detecting salient events, followed in time by a dorsal fronto-parietal network associated with maintaining attention and updating working memory. Our study provides direct experimental evidence for dissociable and causally linked ventral and dorsal networks during event segmentation of ecologically valid auditory stimuli.

  1. Discrimination of Dynamic Tactile Contact by Temporally Precise Event Sensing in Spiking Neuromorphic Networks.

    Science.gov (United States)

    Lee, Wang Wei; Kukreja, Sunil L; Thakor, Nitish V

    2017-01-01

    This paper presents a neuromorphic tactile encoding methodology that utilizes a temporally precise event-based representation of sensory signals. We introduce a novel concept where touch signals are characterized as patterns of millisecond precise binary events to denote pressure changes. This approach is amenable to a sparse signal representation and enables the extraction of relevant features from thousands of sensing elements with sub-millisecond temporal precision. We also proposed measures adopted from computational neuroscience to study the information content within the spiking representations of artificial tactile signals. Implemented on a state-of-the-art 4096 element tactile sensor array with 5.2 kHz sampling frequency, we demonstrate the classification of transient impact events while utilizing 20 times less communication bandwidth compared to frame based representations. Spiking sensor responses to a large library of contact conditions were also synthesized using finite element simulations, illustrating an 8-fold improvement in information content and a 4-fold reduction in classification latency when millisecond-precise temporal structures are available. Our research represents a significant advance, demonstrating that a neuromorphic spatiotemporal representation of touch is well suited to rapid identification of critical contact events, making it suitable for dynamic tactile sensing in robotic and prosthetic applications.

  2. The gastric accommodation response to meal intake determines the occurrence of transient lower esophageal sphincter relaxations and reflux events in patients with gastro-esophageal reflux disease.

    Science.gov (United States)

    Pauwels, A; Altan, E; Tack, J

    2014-04-01

    Gastro-esophageal reflux (GER), the retrograde flow of gastric contents into the esophagus is a physiologic phenomenon, which can evoke symptoms and/or lesions in the esophagus (=gastro-esophageal reflux disease or GERD). Proton pump inhibitors (PPIs) reduce gastric acidity; however, as they are unable to control transient lower esophageal sphincter relaxations (TLESRs), the main mechanism for reflux in GERD, they do not abolish reflux. TLESRs occur predominantly in the postprandial period, and they are believed to be triggered by gastric distention. Gastric accommodation (GA) is the physiologic response to gastric distention and serves to prevent a rise in gastric wall tension during food intake. We aimed to study the relationship between GA and TLESRs, as they both are triggered by gastric distention. We studied 12 GERD patients (average age 37 years [range 18-62], 7m/5f) and nine healthy volunteers (average age 27 years [range 22-36], 2m/7f) using high resolution manometry-impedance measurement before and after a mixed meal challenge. We determined the number of TLESRs (with or without reflux) and measured pre- and postprandial IGP. The change in IGP between the pre- and postprandial period (ΔIGP) is used as surrogate for GA. We also measured LES pressure before and after the meal and calculated the change (ΔLESp). There were no statistical differences between pre- and postprandial IGP in GERD and healthy volunteers and similarly, there was no significant difference between pre- and postprandial LES pressures in GERD patients and healthy volunteers. The number of TLESRs (with or without reflux) was similar in GERD and healthy volunteers. More importantly, we did observe a negative correlation between ΔIGP and the number of TLESRs, irrespective of whether they were associated with reflux or not, in the GERD patients (without reflux r = -0.67, p = 0.017; with reflux r = -0.81, p = 0.0014). The same observations were found in healthy volunteers, where ΔIGP and

  3. Stochastic and Chaotic Relaxation Oscillations

    NARCIS (Netherlands)

    Grasman, J.; Roerdink, J.B.T.M.

    1988-01-01

    For relaxation oscillators stochastic and chaotic dynamics are investigated. The effect of random perturbations upon the period is computed. For an extended system with additional state variables chaotic behavior can be expected. As an example, the Van der Pol oscillator is changed into a

  4. Karst aquifer characterization using geophysical remote sensing of dynamic recharge events

    Science.gov (United States)

    Grapenthin, R.; Bilek, S. L.; Luhmann, A. J.

    2017-12-01

    Geophysical monitoring techniques, long used to make significant advances in a wide range of deeper Earth science disciplines, are now being employed to track surficial processes such as landslide, glacier, and river flow. Karst aquifers are another important hydrologic resource that can benefit from geophysical remote sensing, as this monitoring allows for safe, noninvasive karst conduit measurements. Conduit networks are typically poorly constrained, let alone the processes that occur within them. Geophysical monitoring can also provide a regionally integrated analysis to characterize subsurface architecture and to understand the dynamics of flow and recharge processes in karst aquifers. Geophysical signals are likely produced by several processes during recharge events in karst aquifers. For example, pressure pulses occur when water enters conduits that are full of water, and experiments suggest seismic signals result from this process. Furthermore, increasing water pressure in conduits during recharge events increases the load applied to conduit walls, which deforms the surrounding rock to yield measureable surface displacements. Measureable deformation should also occur with mass loading, with subsidence and rebound signals associated with increases and decreases of water mass stored in the aquifer, respectively. Additionally, geophysical signals will likely arise with turbulent flow and pore pressure change in the rock surrounding conduits. Here we present seismic data collected during a pilot study of controlled and natural recharge events in a karst aquifer system near Bear Spring, near Eyota, MN, USA as well as preliminary model results regarding the processes described above. In addition, we will discuss an upcoming field campaign where we will use seismometers, tiltmeters, and GPS instruments to monitor for recharge-induced responses in a FL, USA karst system with existing cave maps, coupling these geophysical observations with hydrologic and

  5. A study on discrete event dynamic model for nuclear operations of main feed water pump

    International Nuclear Information System (INIS)

    Bae, J. C.; Choi, J. I.

    2000-01-01

    A major objective of the study is to propose a supervisory control algorithm based on the discrete event dynamic system (DEDS) model and apply it to the automation of nuclear operations. The study is motivated by the suitability of the DEDS model for simulation of man-made control action and the potential of the DEDS based supervisory control algorithm for enhanced licensibility, when implemented in nuclear plants, through design transparency due to strong analytic backgrounds. The DEDS model can analytically show the robust stability of the proposed supervisory controller providing design transparency for enhanced licensibility when implemented in nuclear operations

  6. A systemic approach for managing extreme risk events-dynamic financial analysis

    Directory of Open Access Journals (Sweden)

    Ph.D.Student Rodica Ianole

    2011-12-01

    Full Text Available Following the Black Swan logic, it often happens that what we do not know becomes more relevant that what we (believe to know. The management of extreme risks falls under this paradigm in the sense that it cannot be limited to a static approach based only on objective and easily quantifiable variables. Making appeal to the operational tools developed primarily for the insurance industry, the present paper aims to investigate how dynamic financial analysis (DFA can be used within the framework of extreme risk events.

  7. Probing spin dynamics and quantum relaxation in Li Y0.998 Ho0.002 F4 via 19F NMR

    Science.gov (United States)

    Graf, M. J.; Lascialfari, A.; Borsa, F.; Tkachuk, A. M.; Barbara, B.

    2006-01-01

    We report measurements of F19 nuclear spin-lattice relaxation 1/T1 as a function of temperature and external magnetic field in a LiY0.998Ho0.002F4 single crystal, a single-ion magnet exhibiting interesting quantum effects. The F19 1/T1 is found to depend on the coupling with the diluted rare-earth (RE) moments, making it an effective probe of the rare-earth spin dynamics. The results for 1/T1 show a behavior similar to that observed in molecular nanomagnets, a result which we attribute to the discreteness of the energy levels in both cases. At intermediate temperatures the lifetime broadening of the crystal field split RE magnetic levels follows a T3 power law. At low temperature the field dependence of 1/T1 shows peaks in correspondence to the critical magnetic fields for energy level crossings (LC). A key result of this study is that the broadening of the levels at LC is found to become extremely small at low temperatures, about 1.7mT , a value which is comparable to the weak dipolar fields at the RE lattice positions. Thus, unlike the molecular magnets, decoherence effects are strongly suppressed, and it may be possible to measure directly the level repulsions at avoided level crossings.

  8. Impact of unexpected events, shocking news, and rumors on foreign exchange market dynamics

    Science.gov (United States)

    McDonald, Mark; Suleman, Omer; Williams, Stacy; Howison, Sam; Johnson, Neil F.

    2008-04-01

    The dynamical response of a population of interconnected objects, when exposed to external perturbations, is of great interest to physicists working on complex systems. Here we focus on human systems, by analyzing the dynamical response of the world’s financial community to various types of unexpected events—including the 9/11 terrorist attacks as they unfolded on a minute-by-minute basis. For the unfolding events of 9/11, our results show that there was a gradual collective understanding of what was happening, rather than an immediate realization. More generally, we find that for news items which are not simple economic statements—and hence whose implications for the market are not immediately obvious—there are periods of collective discovery during which opinions seem to vary in a remarkably synchronized way.

  9. Relaxation property of the fractional Brownian particle

    International Nuclear Information System (INIS)

    Wang Litan; Lung, C.W.

    1988-08-01

    Dynamic susceptibility of a diffusion system associated with the fractional Brownian motion (fBm) was examined for the fractal property of the Non-Debye relaxation process. The comparisons between fBm and other approaches were made. Anomalous diffusion and the Non-Debye relaxation processes were discussed with this approach. (author). 8 refs, 1 fig

  10. Relaxation processes and glass transition of confined polymer melts: A molecular dynamics simulation of 1,4-polybutadiene between graphite walls.

    Science.gov (United States)

    Solar, M; Binder, K; Paul, W

    2017-05-28

    Molecular dynamics simulations of a chemically realistic model for 1,4-polybutadiene in a thin film geometry confined by two graphite walls are presented. Previous work on melts in the bulk has shown that the model faithfully reproduces static and dynamic properties of the real material over a wide temperature range. The present work studies how these properties change due to nano-confinement. The focus is on orientational correlations observable in nuclear magnetic resonance experiments and on the local intermediate incoherent neutron scattering function, F s (q z , z, t), for distances z from the graphite walls in the range of a few nanometers. Temperatures from about 2T g down to about 1.15T g , where T g is the glass transition temperature in the bulk, are studied. It is shown that weakly attractive forces between the wall atoms and the monomers suffice to effectively bind a polymer coil that is near the wall. For a wide regime of temperatures, the Arrhenius-like adsorption/desorption kinetics of the monomers is the slowest process, while very close to T g the Vogel-Fulcher-Tammann-like α-relaxation takes over. The α-process is modified only for z≤1.2 nm due to the density changes near the walls, less than expected from studies of coarse-grained (bead-spring-type) models. The weakness of the surface effects on the glass transition in this case is attributed to the interplay of density changes near the wall with the torsional potential. A brief discussion of pertinent experiments is given.

  11. Investigation of the spectroscopy and relaxation dynamics of benzaldehyde using molecular orbital calculations and laser ionization time-of-flight mass spectroscopy

    Science.gov (United States)

    da Silva, Maria Cristina Rodrigues

    1998-11-01

    Molecular orbital methods and laser ionization mass spectrometry measurements are used to investigate the spectroscopy and relaxation dynamics of benzaldehyde following excitation to its S2(/pi/pi/sp/*) state. Energies, equilibrium geometries and vibrational frequencies of ground and low-lying excited states of benzaldehyde neutral and cation determined by ab initio calculations provide a theoretical description of the electronic spectroscopy of benzaldehyde and of the changes occurring on excitation and ionization. The S2(/pi/pi/sp/*)[/gets]S0 excitation spectrum of jet-cooled benzaldehyde acquired using two-color laser ionization mass spectrometry techniques is interpreted with the aid of these calculations. The spectrum is dominated by the origin band and by transitions involving some of the ring modes consistent with the results of the molecular orbital calculations that indicate that the major geometric changes on excitation to S2 are located in the aromatic ring. Ten fundamental vibrations of the S2(/pi/pi/sp/*) state are assigned. The dissociation dynamics of benzaldehyde into benzene and carbon monoxide following excitation to its S2(/pi/pi/sp/*) state are investigated under jet- cooled conditions by two-color laser ionization mass spectrometry using a pump-probe technique. This experimental arrangement allows monitoring the benzaldehyde reactant and the benzene product ion signals as a function of the time delay between the excitation and ionization steps. A kinetic model is proposed to explain the observed biexponential decay of the benzaldehyde signal and the single exponential growth of the benzene product signal in terms of a sequential decay of two excited states of benzaldehyde, one of which leads to formation of benzene molecules in its lowest triplet state. Reactant disappearance and product appearance rates are determined for a number of vibronic transitions of the S2 state. They are found to increase with excitation energy without any indication

  12. Applications of high order harmonic radiation to UVX-solids interaction: high excitation density in electronic relaxation dynamics and surface damaging

    International Nuclear Information System (INIS)

    De Grazia, M.

    2007-12-01

    The new sources of radiation in the extreme-UV (X-UV: 10-100 nm), which deliver spatially coherent, ultra-short and intense pulses, allow studying high flux processes and ultra-fast dynamics in various domains. The thesis work presents two applications of the high-order laser harmonics (HH) to solid state physics. In Part I, we describe the optimization of the harmonic for studies of X-UV/solids interaction. In Part II, we investigate effects of high excitation density in the dynamics of electron relaxation in dielectric scintillator crystals - tungstates and fluorides, using time-resolved luminescence spectroscopy. Quenching of luminescence at short time gives evidence of the competition between radiative and non-radiative recombination of self-trapped excitons (STE). The non-radiative channel is identified to mutual interaction of STE at high excitation density. In Part III, we study the X-UV induced damage mechanism in various materials, either conductor (amorphous carbon) or insulators (organic polymers, e.g., PMMA). In PMMA-Plexiglas, in the desorption regime (0.2 mJ/cm 2 , i.e., below damage threshold), the surface modifications reflect X-UV induced photochemical processes that are tentatively identified, as a function of dose: at low dose, polymer chain scission followed by the blow-up of the volatile, low-molecular fragments leads to crater formation; at high dose, cross-linking in the near-surface layer of remaining material leads to surface hardening. These promising results have great perspectives considering the performances already attained and planned in the next future in the development of the harmonic sources. (author)

  13. Phytoplankton dynamics in relation to seasonal variability and upwelling and relaxation patterns at the mouth of Ria de Aveiro (West Iberian Margin over a four-year period.

    Directory of Open Access Journals (Sweden)

    Tânia Vidal

    Full Text Available From June 2004 to December 2007, samples were weekly collected at a fixed station located at the mouth of Ria de Aveiro (West Iberian Margin. We examined the seasonal and inter-annual fluctuations in composition and community structure of the phytoplankton in relation to the main environmental drivers and assessed the influence of the oceanographic regime, namely changes in frequency and intensity of upwelling events, over the dynamics of the phytoplankton assemblage. The samples were consistently handled and a final subset of 136 OTUs (taxa with relative abundance > 0.01% was subsequently submitted to various multivariate analyses. The phytoplankton assemblage showed significant changes at all temporal scales but with an overriding importance of seasonality over longer- (inter-annual or shorter-term fluctuations (upwelling-related. Sea-surface temperature, salinity and maximum upwelling index were retrieved as the main driver of seasonal change. Seasonal signal was most evident in the fluctuations of chlorophyll a concentration and in the high turnover from the winter to spring phytoplankton assemblage. The seasonal cycle of production and succession was disturbed by upwelling events known to disrupt thermal stratification and induce changes in the phytoplankton assemblage. Our results indicate that both the frequency and intensity of physical forcing were important drivers of such variability, but the outcome in terms of species composition was highly dependent on the available local pool of species and the timing of those events in relation to the seasonal cycle. We conclude that duration, frequency and intensity of upwelling events, which vary seasonally and inter-annually, are paramount for maintaining long-term phytoplankton diversity likely by allowing unstable coexistence and incorporating species turnover at different scales. Our results contribute to the understanding of the complex mechanisms of coastal phytoplankton dynamics in

  14. Dielectric Relaxation of Water: Theory and Experiment

    International Nuclear Information System (INIS)

    Adhikari, Narayan Prasad; Paudyal, Harihar; Johri, Manoj

    2010-06-01

    We have studied the hydrogen bond dynamics and methods for evaluation of probability and relaxation time for hydrogen bond network. Further, dielectric relaxation time has been calculated by using a diagonalization procedure by obtaining eigen values (inverse of relaxation time) of a master equation framed on the basis of Fokker-Planck equations. Microwave cavity spectrometer has been described to make measurements of relaxation time. Slater's perturbation equations are given for the analysis of the data. A comparison of theoretical and experimental data shows that there is a need for improvements in the theoretical model and experimental techniques to provide exact information about structural properties of water. (author)

  15. How They Move Reveals What Is Happening: Understanding the Dynamics of Big Events from Human Mobility Pattern

    Directory of Open Access Journals (Sweden)

    Jean Damascène Mazimpaka

    2017-01-01

    Full Text Available The context in which a moving object moves contributes to the movement pattern observed. Likewise, the movement pattern reflects the properties of the movement context. In particular, big events influence human mobility depending on the dynamics of the events. However, this influence has not been explored to understand big events. In this paper, we propose a methodology for learning about big events from human mobility pattern. The methodology involves extracting and analysing the stopping, approaching, and moving-away interactions between public transportation vehicles and the geographic context. The analysis is carried out at two different temporal granularity levels to discover global and local patterns. The results of evaluating this methodology on bus trajectories demonstrate that it can discover occurrences of big events from mobility patterns, roughly estimate the event start and end time, and reveal the temporal patterns of arrival and departure of event attendees. This knowledge can be usefully applied in transportation and event planning and management.

  16. StreamSqueeze: a dynamic stream visualization for monitoring of event data

    Science.gov (United States)

    Mansmann, Florian; Krstajic, Milos; Fischer, Fabian; Bertini, Enrico

    2012-01-01

    While in clear-cut situations automated analytical solution for data streams are already in place, only few visual approaches have been proposed in the literature for exploratory analysis tasks on dynamic information. However, due to the competitive or security-related advantages that real-time information gives in domains such as finance, business or networking, we are convinced that there is a need for exploratory visualization tools for data streams. Under the conditions that new events have higher relevance and that smooth transitions enable traceability of items, we propose a novel dynamic stream visualization called StreamSqueeze. In this technique the degree of interest of recent items is expressed through an increase in size and thus recent events can be shown with more details. The technique has two main benefits: First, the layout algorithm arranges items in several lists of various sizes and optimizes the positions within each list so that the transition of an item from one list to the other triggers least visual changes. Second, the animation scheme ensures that for 50 percent of the time an item has a static screen position where reading is most effective and then continuously shrinks and moves to the its next static position in the subsequent list. To demonstrate the capability of our technique, we apply it to large and high-frequency news and syslog streams and show how it maintains optimal stability of the layout under the conditions given above.

  17. Ab initio molecular dynamics simulations of low energy recoil events in MgO

    International Nuclear Information System (INIS)

    Petersen, B. A.; Liu, B.; Weber, W. J.; Oak Ridge National Laboratory; Zhang, Y.; Oak Ridge National Laboratory

    2017-01-01

    In this paper, low-energy recoil events in MgO are studied using ab initio molecular dynamics simulations to reveal the dynamic displacement processes and final defect configurations. Threshold displacement energies, E_d, are obtained for Mg and O along three low-index crystallographic directions, [100], [110], and [111]. The minimum values for E_d are found along the [110] direction consisting of the same element, either Mg or O atoms. Minimum threshold values of 29.5 eV for Mg and 25.5 eV for O, respectively, are suggested from the calculations. For other directions, the threshold energies are considerably higher, 65.5 and 150.0 eV for O along [111] and [100], and 122.5 eV for Mg along both [111] and [100] directions, respectively. These results show that the recoil events in MgO are partial-charge transfer assisted processes where the charge transfer plays an important role. Finally, there is a similar trend found in other oxide materials, where the threshold displacement energy correlates linearly with the peak partial-charge transfer, suggesting this behavior might be universal in ceramic oxides.

  18. An Event-Driven Hybrid Molecular Dynamics and Direct Simulation Monte Carlo Algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Donev, A; Garcia, A L; Alder, B J

    2007-07-30

    A novel algorithm is developed for the simulation of polymer chains suspended in a solvent. The polymers are represented as chains of hard spheres tethered by square wells and interact with the solvent particles with hard core potentials. The algorithm uses event-driven molecular dynamics (MD) for the simulation of the polymer chain and the interactions between the chain beads and the surrounding solvent particles. The interactions between the solvent particles themselves are not treated deterministically as in event-driven algorithms, rather, the momentum and energy exchange in the solvent is determined stochastically using the Direct Simulation Monte Carlo (DSMC) method. The coupling between the solvent and the solute is consistently represented at the particle level, however, unlike full MD simulations of both the solvent and the solute, the spatial structure of the solvent is ignored. The algorithm is described in detail and applied to the study of the dynamics of a polymer chain tethered to a hard wall subjected to uniform shear. The algorithm closely reproduces full MD simulations with two orders of magnitude greater efficiency. Results do not confirm the existence of periodic (cycling) motion of the polymer chain.

  19. Discrete dynamic event tree modeling and analysis of nuclear power plant crews for safety assessment

    International Nuclear Information System (INIS)

    Mercurio, D.

    2011-01-01

    Current Probabilistic Risk Assessment (PRA) and Human Reliability Analysis (HRA) methodologies model the evolution of accident sequences in Nuclear Power Plants (NPPs) mainly based on Logic Trees. The evolution of these sequences is a result of the interactions between the crew and plant; in current PRA methodologies, simplified models of these complex interactions are used. In this study, the Accident Dynamic Simulator (ADS), a modeling framework based on the Discrete Dynamic Event Tree (DDET), has been used for the simulation of crew-plant interactions during potential accident scenarios in NPPs. In addition, an operator/crew model has been developed to treat the response of the crew to the plant. The 'crew model' is made up of three operators whose behavior is guided by a set of rules-of-behavior (which represents the knowledge and training of the operators) coupled with written and mental procedures. In addition, an approach for addressing the crew timing variability in DDETs has been developed and implemented based on a set of HRA data from a simulator study. Finally, grouping techniques were developed and applied to the analysis of the scenarios generated by the crew-plant simulation. These techniques support the post-simulation analysis by grouping similar accident sequences, identifying the key contributing events, and quantifying the conditional probability of the groups. These techniques are used to characterize the context of the crew actions in order to obtain insights for HRA. The model has been applied for the analysis of a Small Loss Of Coolant Accident (SLOCA) event for a Pressurized Water Reactor (PWR). The simulation results support an improved characterization of the performance conditions or context of operator actions, which can be used in an HRA, in the analysis of the reliability of the actions. By providing information on the evolution of system indications, dynamic of cues, crew timing in performing procedure steps, situation

  20. Dynamics of coral-associated microbiomes during a thermal bleaching event.

    Science.gov (United States)

    Pootakham, Wirulda; Mhuantong, Wuttichai; Putchim, Lalita; Yoocha, Thippawan; Sonthirod, Chutima; Kongkachana, Wasitthee; Sangsrakru, Duangjai; Naktang, Chaiwat; Jomchai, Nukoon; Thongtham, Nalinee; Tangphatsornruang, Sithichoke

    2018-03-23

    Coral-associated microorganisms play an important role in their host fitness and survival. A number of studies have demonstrated connections between thermal tolerance in corals and the type/relative abundance of Symbiodinium they harbor. More recently, the shifts in coral-associated bacterial profiles were also shown to be linked to the patterns of coral heat tolerance. Here, we investigated the dynamics of Porites lutea-associated bacterial and algal communities throughout a natural bleaching event, using full-length 16S rRNA and internal transcribed spacer sequences (ITS) obtained from PacBio circular consensus sequencing. We provided evidence of significant changes in the structure and diversity of coral-associated microbiomes during thermal stress. The balance of the symbiosis shifted from a predominant association between corals and Gammaproteobacteria to a predominance of Alphaproteobacteria and to a lesser extent Betaproteobacteria following the bleaching event. On the contrary, the composition and diversity of Symbiodinium communities remained unaltered throughout the bleaching event. It appears that the switching and/or shuffling of Symbiodinium types may not be the primary mechanism used by P. lutea to cope with increasing seawater temperature. The shifts in the structure and diversity of associated bacterial communities may contribute more to the survival of the coral holobiont under heat stress. © 2018 The Authors. MicrobiologyOpen published by John Wiley & Sons Ltd.

  1. Scaling up liquid state machines to predict over address events from dynamic vision sensors.

    Science.gov (United States)

    Kaiser, Jacques; Stal, Rainer; Subramoney, Anand; Roennau, Arne; Dillmann, Rüdiger

    2017-09-01

    Short-term visual prediction is important both in biology and robotics. It allows us to anticipate upcoming states of the environment and therefore plan more efficiently. In theoretical neuroscience, liquid state machines have been proposed as a biologically inspired method to perform asynchronous prediction without a model. However, they have so far only been demonstrated in simulation or small scale pre-processed camera images. In this paper, we use a liquid state machine to predict over the whole  [Formula: see text]  event stream provided by a real dynamic vision sensor (DVS, or silicon retina). Thanks to the event-based nature of the DVS, the liquid is constantly fed with data when an object is in motion, fully embracing the asynchronicity of spiking neural networks. We propose a smooth continuous representation of the event stream for the short-term visual prediction task. Moreover, compared to previous works (2002 Neural Comput. 2525 282-93 and Burgsteiner H et al 2007 Appl. Intell. 26 99-109), we scale the input dimensionality that the liquid operates on by two order of magnitudes. We also expose the current limits of our method by running experiments in a challenging environment where multiple objects are in motion. This paper is a step towards integrating biologically inspired algorithms derived in theoretical neuroscience to real world robotic setups. We believe that liquid state machines could complement current prediction algorithms used in robotics, especially when dealing with asynchronous sensors.

  2. Pesticide load dynamics during stormwater flow events in Mediterranean coastal streams: Alexander stream case study.

    Science.gov (United States)

    Topaz, Tom; Egozi, Roey; Eshel, Gil; Chefetz, Benny

    2018-06-01

    Cultivated land is a major source of pesticides, which are transported with the runoff water and eroded soil during rainfall events and pollute riverine and estuarine environments. Common ecotoxicological assessments of riverine systems are mainly based on water sampling and analysis of only the dissolved phase, and address a single pesticide's toxicological impact under laboratory conditions. A clear overview of mixtures of pesticides in the adsorbed and dissolved phases is missing, and therefore the full ecotoxicological impact is not fully addressed. The aim of this study was to characterize and quantify pesticide concentrations in both suspended sediment and dissolved phases, to provide a better understanding of pesticide-load dynamics during storm events in coastal streams in a Mediterranean climate. High-resolution sampling campaigns of seven flood events were conducted during two rainy seasons in Alexander stream, Israel. Samples of suspended sediments were separated from the solution and both media were analyzed separately for 250 pesticides. A total of 63 pesticides were detected; 18 and 16 pesticides were found solely in the suspended sediments and solution, respectively. Significant differences were observed among the pesticide groups: only 7% of herbicide, 20% of fungicide and 42% of insecticide load was transported with the suspended sediments. However, in both dissolved and adsorbed phases, a mix of pesticides was found which were graded from "mobile" to "non-mobile" with varied distribution coefficients. Diuron, and tebuconazole were frequently found in large quantities in both phases. Whereas insecticide and fungicide transport is likely governed by application time and method, the governing factor for herbicide load was the magnitude of the stream discharge. The results show a complex dynamic of pesticide load affected by excessive use of pesticides, which should be taken into consideration when designing projects to monitor riverine and estuarine

  3. Differences in N loading affect DOM dynamics during typhoon events in a forested mountainous catchment.

    Science.gov (United States)

    Yeh, Tz-Ching; Liao, Chien-Sen; Chen, Ting-Chien; Shih, Yu-Ting; Huang, Jr-Chuan; Zehetner, Franz; Hein, Thomas

    2018-03-21

    The dissolved organic matter (DOM) and nutrient dynamics in small mountainous rivers (SMRs) strongly depend on hydrologic conditions, and especially on extreme events. Here, we investigated the quantity and quality of DOM and inorganic nutrients during base-flow and typhoon events, in a chronically N-saturated mainstream and low N-loaded tributaries of a forested small mountainous reservoir catchment in Taiwan. Our results suggest that divergent transport mechanisms were triggered in the mainstream vs. tributaries during typhoons. The mainstream DON increased from 3.4 to 34.7% of the TDN pool with a static DOC:NO 3 -N ratio and enhanced DOM freshness, signalling a N-enriched DOM transport. Conversely, DON decreased from 46 to 6% of the TDN pool in the tributaries and was coupled with a rapid increase of the DOC:NO 3 -N ratio and humified DOM signals, suggesting the DON and DOC were passively and simultaneously transported. This study confirmed hydrology and spatial dimensions being the main drivers shaping the composition and concentration of DOM and inorganic nutrients in small mountainous catchments subject to hydrologic extremes. We highlighted that the dominant flow paths largely controlled the N-saturation status and DOM composition within each sub-catchment, the effect of land-use could therefore be obscured. Furthermore, N-saturation status and DOM composition are not only a result of hydrologic dynamics, but potential agents modifying the transport mechanism of solutes export from fluvial systems. We emphasize the importance of viewing elemental dynamics from the perspective of a terrestrial-aquatic continuum; and of taking hydrologic phases and individual catchment characteristics into account in water quality management. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

  4. Record dynamics

    DEFF Research Database (Denmark)

    Robe, Dominic M.; Boettcher, Stefan; Sibani, Paolo

    2016-01-01

    When quenched rapidly beyond their glass transition, colloidal suspensions fall out of equilibrium. The pace of their dynamics then slows down with the system age, i.e., with the time elapsed after the quench. This breaking of time translational invariance is associated with dynamical observables...... which depend on two time-arguments. The phenomenology is shared by a broad class of aging systems and calls for an equally broad theoretical description. The key idea is that, independent of microscopic details, aging systems progress through rare intermittent structural relaxations that are de......-facto irreversible and become increasingly harder to achieve. Thus, a progression of record-sized dynamical barriers are traversed in the approach to equilibration. Accordingly, the statistics of the events is closely described by a log-Poisson process. Originally developed for relaxation in spin glasses...

  5. Multiscale dipole relaxation in dielectric materials

    DEFF Research Database (Denmark)

    Hansen, Jesper Schmidt

    2016-01-01

    Dipole relaxation from thermally induced perturbations is investigated on different length scales for dielectric materials. From the continuum dynamical equations for the polarisation, expressions for the transverse and longitudinal dipole autocorrelation functions are derived in the limit where ...

  6. Visualization of early events in acetic acid denaturation of HIV-1 protease: a molecular dynamics study.

    Directory of Open Access Journals (Sweden)

    Aditi Narendra Borkar

    Full Text Available Protein denaturation plays a crucial role in cellular processes. In this study, denaturation of HIV-1 Protease (PR was investigated by all-atom MD simulations in explicit solvent. The PR dimer and monomer were simulated separately in 9 M acetic acid (9 M AcOH solution and water to study the denaturation process of PR in acetic acid environment. Direct visualization of the denaturation dynamics that is readily available from such simulations has been presented. Our simulations in 9 M AcOH reveal that the PR denaturation begins by separation of dimer into intact monomers and it is only after this separation that the monomer units start denaturing. The denaturation of the monomers is flagged off by the loss of crucial interactions between the α-helix at C-terminal and surrounding β-strands. This causes the structure to transit from the equilibrium dynamics to random non-equilibrating dynamics. Residence time calculations indicate that denaturation occurs via direct interaction of the acetic acid molecules with certain regions of the protein in 9 M AcOH. All these observations have helped to decipher a picture of the early events in acetic acid denaturation of PR and have illustrated that the α-helix and the β-sheet at the C-terminus of a native and functional PR dimer should maintain both the stability and the function of the enzyme and thus present newer targets for blocking PR function.

  7. Using the relational event model (REM) to investigate the temporal dynamics of animal social networks.

    Science.gov (United States)

    Tranmer, Mark; Marcum, Christopher Steven; Morton, F Blake; Croft, Darren P; de Kort, Selvino R

    2015-03-01

    Social dynamics are of fundamental importance in animal societies. Studies on nonhuman animal social systems often aggregate social interaction event data into a single network within a particular time frame. Analysis of the resulting network can provide a useful insight into the overall extent of interaction. However, through aggregation, information is lost about the order in which interactions occurred, and hence the sequences of actions over time. Many research hypotheses relate directly to the sequence of actions, such as the recency or rate of action, rather than to their overall volume or presence. Here, we demonstrate how the temporal structure of social interaction sequences can be quantified from disaggregated event data using the relational event model (REM). We first outline the REM, explaining why it is different from other models for longitudinal data, and how it can be used to model sequences of events unfolding in a network. We then discuss a case study on the European jackdaw, Corvus monedula , in which temporal patterns of persistence and reciprocity of action are of interest, and present and discuss the results of a REM analysis of these data. One of the strengths of a REM analysis is its ability to take into account different ways in which data are collected. Having explained how to take into account the way in which the data were collected for the jackdaw study, we briefly discuss the application of the model to other studies. We provide details of how the models may be fitted in the R statistical software environment and outline some recent extensions to the REM framework.

  8. Study of vortex dynamics with local magnetic relaxation measurements in the superconducting compound Bi2Sr2CaCu2O8

    International Nuclear Information System (INIS)

    Berry, St.

    2000-01-01

    This experimental study of the magnetic field-temperature phase diagram and of the vortex dynamics in high- T c superconductors focuses on Bismuth-based cuprates: Bi 2 Sr 2 CaCu 2 O 8 . In type-II superconductors, mixed state characterized by the presence of vortices (quanta of magnetic flux) is divided by a transition line determined by two features of magnetization loops. For T > 40 K, magnetization loops vs applied field show a step evidence of a first order transition. From 20 to 40 K, a second peak replacing the step correspond to an abrupt increase of irreversibility interpreted as a bulk current. We want to understand the nature of the second peak (thermodynamic or nonequilibrium property) and separate phenomena contributing to irreversibility (flux pinning, geometrical or surface effects). Magnetic measurement techniques are nondestructive and have a resolution of few microns. Bi 2 Sr 2 CaCu 2 O 8 single crystals are optimized by localizing defectives regions with a magneto-optic technique for flux imaging and elimination of these regions with a wire saw. Local magnetization loops and relaxation measurements performed with a microscopic Hall probe array allow to distinguish irreversibility sources. The shape of induction profiles indicates which current dominate between surface current and bulk pinning induced current. Two crossover with time and a direct observation of two phases coexistence in induction profiles enlighten phenomena in play. The measured electric field-current density characteristics lead to barrier energy U(j) controlling thermally activated flux motion. Three relations (U(j) (surface, bulk low and high field) explain second peak. (author)

  9. Torque controlled rotary-shear experiments reveal pseudotachilites formation-dynamics and precursor events

    Science.gov (United States)

    Tisato, Nicola; Cordonnier, Benoit; De Siena, Luca; Lavier, Luc; Di Toro, Giulio

    2017-04-01

    Except few cases, rotary shear tests, which are designed to study dynamic friction and strengthening/weakening mechanisms in seismogenic faults, are performed by imposing, to the specimens, a slipping velocity that is pre-defined. This approach has been adopted from engineering that typically, tests man-made objects that, when functioning, spin or slide at a pre-defined velocity under a pre-defined load. On the other hand, natural earthquakes are the effect of a rupture that nucleates, propagates and arrests in the subsurface. These three phases, and the consequent emerging fault slipping velocity, are controlled by the accumulated and released energy around the seismogenic fault before, during and after the earthquake. Thus, imposing the slipping velocity in laboratory experiments might not represent the best option to uncover many aspects of earthquake nucleation and fault slipping dynamics. Here we present some experiments performed with an innovative rotary shear apparatus that uses a clock-spring that when winded provides to the rotating sample a linearly increasing torque. Thus, the nucleation of simulated events occur spontaneously when the shear stress on the slipping surface overcomes the static friction times the normal load that is controlled by a deadweight. In addition, this method allows studying precursory seismic events resembling natural slow-slip earthquakes. We report some preliminary results for a transparent polymer that has melting point 340 K and allows observing the slipping surface (i.e., the contact between the two samples). By coupling: i) the rotary shear apparatus, ii) a video camera recording at 60 fps and a iii) laser pointer we observed the formation and evolution of a melt film that forms in the slipping surface after a phase of "dry" stick-slip. After each seismic event the melt layer solidify forming a pseudotachilite that partially welds the slipping surfaces. We also present the mechanical data that show rupture strengthening in

  10. Molecular potentials and relaxation dynamics

    International Nuclear Information System (INIS)

    Karo, A.M.

    1981-01-01

    The use of empirical pseudopotentials, in evaluating interatomic potentials, provides an inexpensive and convenient method for obtaining highly accurate potential curves and permits the modeling of core-valence correlation, and the inclusion of relativistic effects when these are significant. As an example, recent calculations of the chi 1 Σ + and a 3 Σ + states of LiH, NaH, KH, RbH, and CsH and the chi 2 Σ + states of their anions are discussed. Pseudopotentials, including core polarization terms, have been used to replace the core electrons, and this has been coupled with the development of compact, highly-optimized basis sets for the corresponding one- and two-electron atoms. Comparisons of the neutral potential curves with experiment and other ab initio calculations show good agreement (within 1000 cm -1 over most of the potential curves) with the difference curves being considerably more accurate

  11. Relaxation time in confined disordered systems

    International Nuclear Information System (INIS)

    Chamati, H.; Korutcheva, E.

    2006-05-01

    The dynamic critical behavior of a quenched hypercubic sample of linear size L is considered within the 'random T c ' field theoretical model with purely relaxation dynamic (Model A). The dynamic finite size scaling behavior is established and analyzed when the system is quenched from a homogeneous phase towards its critical temperature. The obtained results are compared to those reported in the literature. (author)

  12. Breathing and Relaxation

    Science.gov (United States)

    ... Find a Doctor Relaxation is the absence of tension in muscle groups and a minimum or absence ... Drill Meditation Progressive Muscle Relaxation Minimizing Shortness of Breath Visualization This information has been approved by Shelby ...

  13. Internal protein dynamics on ps to μs timescales as studied by multi-frequency {sup 15}N solid-state NMR relaxation

    Energy Technology Data Exchange (ETDEWEB)

    Zinkevich, Tatiana [Martin-Luther-Universität Halle-Wittenberg, NMRGroup, Faculty of Natural Sciences II, Institut für Physik (Germany); Chevelkov, Veniamin [Max-Planck-Institut für Biophysikalische Chemie (Germany); Reif, Bernd [Technische Universität München, Department Chemie (Germany); Saalwächter, Kay; Krushelnitsky, Alexey, E-mail: krushelnitsky@physik.uni-halle.de [Martin-Luther-Universität Halle-Wittenberg, NMRGroup, Faculty of Natural Sciences II, Institut für Physik (Germany)

    2013-09-19

    A comprehensive analysis of the dynamics of the SH3 domain of chicken alpha-spectrin is presented, based upon {sup 15}N T{sub 1} and on- and off-resonance T{sub 1ρ} relaxation times obtained on deuterated samples with a partial back-exchange of labile protons under a variety of the experimental conditions, taking explicitly into account the dipolar order parameters calculated from {sup 15}N–{sup 1}H dipole–dipole couplings. It is demonstrated that such a multi-frequency approach enables access to motional correlation times spanning about 6 orders of magnitude. We asses the validity of different motional models based upon orientation autocorrelation functions with a different number of motional components. We find that for many residues a “two components” model is not sufficient for a good description of the data and more complicated fitting models must be considered. We show that slow motions with correlation times on the order of 1–10 μs can be determined reliably in spite of rather low apparent amplitudes (below 1 %), and demonstrate that the distribution of the protein backbone mobility along the time scale axis is pronouncedly non-uniform and non-monotonic: two domains of fast (τ < 10{sup −10} s) and intermediate (10{sup −9} s < τ < 10{sup −7} s) motions are separated by a gap of one order of magnitude in time with almost no motions. For slower motions (τ > 10{sup −6} s) we observe a sharp ∼1 order of magnitude decrease of the apparent motional amplitudes. Such a distribution obviously reflects different nature of backbone motions on different time scales, where the slow end may be attributed to weakly populated “excited states.” Surprisingly, our data reveal no clearly evident correlations between secondary structure of the protein and motional parameters. We also could not notice any unambiguous correlations between motions in different time scales along the protein backbone emphasizing the importance of the inter

  14. Retrospective Analysis of Communication Events - Understanding the Dynamics of Collaborative Multi-Party Discourse

    Energy Technology Data Exchange (ETDEWEB)

    Cowell, Andrew J.; Haack, Jereme N.; McColgin, Dave W.

    2006-06-08

    This research is aimed at understanding the dynamics of collaborative multi-party discourse across multiple communication modalities. Before we can truly make sig-nificant strides in devising collaborative communication systems, there is a need to understand how typical users utilize com-putationally supported communications mechanisms such as email, instant mes-saging, video conferencing, chat rooms, etc., both singularly and in conjunction with traditional means of communication such as face-to-face meetings, telephone calls and postal mail. Attempting to un-derstand an individual’s communications profile with access to only a single modal-ity is challenging at best and often futile. Here, we discuss the development of RACE – Retrospective Analysis of Com-munications Events – a test-bed prototype to investigate issues relating to multi-modal multi-party discourse.

  15. Comparing the temporal dynamics of thematic and taxonomic processing using event-related potentials.

    Directory of Open Access Journals (Sweden)

    Olivera Savic

    Full Text Available We report the results of a study comparing the temporal dynamics of thematic and taxonomic knowledge activation in a picture-word priming paradigm using event-related potentials. Although we found no behavioral differences between thematic and taxonomic processing, ERP data revealed distinct patterns of N400 and P600 amplitude modulation for thematic and taxonomic priming. Thematically related target stimuli elicited less negativity than taxonomic targets between 280-460 ms after stimulus onset, suggesting easier semantic processing of thematic than taxonomic relationships. Moreover, P600 mean amplitude was significantly increased for taxonomic targets between 520-600 ms, consistent with a greater need for stimulus reevaluation in that condition. These results offer novel evidence in favor of a dissociation between thematic and taxonomic thinking in the early phases of conceptual evaluation.

  16. Comparing the temporal dynamics of thematic and taxonomic processing using event-related potentials.

    Science.gov (United States)

    Savic, Olivera; Savic, Andrej M; Kovic, Vanja

    2017-01-01

    We report the results of a study comparing the temporal dynamics of thematic and taxonomic knowledge activation in a picture-word priming paradigm using event-related potentials. Although we found no behavioral differences between thematic and taxonomic processing, ERP data revealed distinct patterns of N400 and P600 amplitude modulation for thematic and taxonomic priming. Thematically related target stimuli elicited less negativity than taxonomic targets between 280-460 ms after stimulus onset, suggesting easier semantic processing of thematic than taxonomic relationships. Moreover, P600 mean amplitude was significantly increased for taxonomic targets between 520-600 ms, consistent with a greater need for stimulus reevaluation in that condition. These results offer novel evidence in favor of a dissociation between thematic and taxonomic thinking in the early phases of conceptual evaluation.

  17. Modulations of 'late' event-related brain potentials in humans by dynamic audiovisual speech stimuli.

    Science.gov (United States)

    Lebib, Riadh; Papo, David; Douiri, Abdel; de Bode, Stella; Gillon Dowens, Margaret; Baudonnière, Pierre-Marie

    2004-11-30

    Lipreading reliably improve speech perception during face-to-face conversation. Within the range of good dubbing, however, adults tolerate some audiovisual (AV) discrepancies and lipreading, then, can give rise to confusion. We used event-related brain potentials (ERPs) to study the perceptual strategies governing the intermodal processing of dynamic and bimodal speech stimuli, either congruently dubbed or not. Electrophysiological analyses revealed that non-coherent audiovisual dubbings modulated in amplitude an endogenous ERP component, the N300, we compared to a 'N400-like effect' reflecting the difficulty to integrate these conflicting pieces of information. This result adds further support for the existence of a cerebral system underlying 'integrative processes' lato sensu. Further studies should take advantage of this 'N400-like effect' with AV speech stimuli to open new perspectives in the domain of psycholinguistics.

  18. Structural relaxation and thermal conductivity coefficient of liquids

    International Nuclear Information System (INIS)

    Abdurasulov, A.

    1992-01-01

    Present article is devoted to structural relaxation and thermal conductivity coefficient of liquids. The thermoelastic properties of liquids were studied taking into account the contribution of translational and structural relaxation. The results of determination of dynamic coefficient of thermal conductivity of liquids taking into account the contribution of translational and structural relaxation are presented.

  19. Ant colony optimization and event-based dynamic task scheduling and staffing for software projects

    Science.gov (United States)

    Ellappan, Vijayan; Ashwini, J.

    2017-11-01

    In programming change organizations from medium to inconceivable scale broadens, the issue of wander orchestrating is amazingly unusual and testing undertaking despite considering it a manual system. Programming wander-organizing requirements to deal with the issue of undertaking arranging and in addition the issue of human resource portion (also called staffing) in light of the way that most of the advantages in programming ventures are individuals. We propose a machine learning approach with finds respond in due order regarding booking by taking in the present arranging courses of action and an event based scheduler revives the endeavour arranging system moulded by the learning computation in perspective of the conformity in event like the begin with the Ander, the instant at what time possessions be free starting to ended errands, and the time when delegates stick together otherwise depart the wander inside the item change plan. The route toward invigorating the timetable structure by the even based scheduler makes the arranging method dynamic. It uses structure components to exhibit the interrelated surges of endeavours, slip-ups and singular all through different progression organizes and is adjusted to mechanical data. It increases past programming wander movement ask about by taking a gander at a survey based process with a one of a kind model, organizing it with the data based system for peril assessment and cost estimation, and using a choice showing stage.

  20. Exceptional Air Mass Transport and Dynamical Drivers of an Extreme Wintertime Arctic Warm Event

    Science.gov (United States)

    Binder, Hanin; Boettcher, Maxi; Grams, Christian M.; Joos, Hanna; Pfahl, Stephan; Wernli, Heini

    2017-12-01

    At the turn of the years 2015/2016, maximum surface temperature in the Arctic reached record-high values, exceeding the melting point, which led to a strong reduction of the Arctic sea ice extent in the middle of the cold season. Here we show, using a Lagrangian method, that a combination of very different airstreams contributed to this event: (i) warm low-level air of subtropical origin, (ii) initially cold low-level air of polar origin heated by surface fluxes, and (iii) strongly descending air heated by adiabatic compression. The poleward transport of these warm airstreams occurred along an intense low-level jet between a series of cyclones and a quasi-stationary anticyclone. The complex 3-D configuration that enabled this transport was facilitated by continuous warm conveyor belt ascent into the upper part of the anticyclone. This study emphasizes the combined role of multiple transport processes and transient synoptic-scale dynamics for establishing an extreme Arctic warm event.

  1. A Novel Event-Based Incipient Slip Detection Using Dynamic Active-Pixel Vision Sensor (DAVIS).

    Science.gov (United States)

    Rigi, Amin; Baghaei Naeini, Fariborz; Makris, Dimitrios; Zweiri, Yahya

    2018-01-24

    In this paper, a novel approach to detect incipient slip based on the contact area between a transparent silicone medium and different objects using a neuromorphic event-based vision sensor (DAVIS) is proposed. Event-based algorithms are developed to detect incipient slip, slip, stress distribution and object vibration. Thirty-seven experiments were performed on five objects with different sizes, shapes, materials and weights to compare precision and response time of the proposed approach. The proposed approach is validated by using a high speed constitutional camera (1000 FPS). The results indicate that the sensor can detect incipient slippage with an average of 44.1 ms latency in unstructured environment for various objects. It is worth mentioning that the experiments were conducted in an uncontrolled experimental environment, therefore adding high noise levels that affected results significantly. However, eleven of the experiments had a detection latency below 10 ms which shows the capability of this method. The results are very promising and show a high potential of the sensor being used for manipulation applications especially in dynamic environments.

  2. Source Space Analysis of Event-Related Dynamic Reorganization of Brain Networks

    Directory of Open Access Journals (Sweden)

    Andreas A. Ioannides

    2012-01-01

    Full Text Available How the brain works is nowadays synonymous with how different parts of the brain work together and the derivation of mathematical descriptions for the functional connectivity patterns that can be objectively derived from data of different neuroimaging techniques. In most cases static networks are studied, often relying on resting state recordings. Here, we present a quantitative study of dynamic reconfiguration of connectivity for event-related experiments. Our motivation is the development of a methodology that can be used for personalized monitoring of brain activity. In line with this motivation, we use data with visual stimuli from a typical subject that participated in different experiments that were previously analyzed with traditional methods. The earlier studies identified well-defined changes in specific brain areas at specific latencies related to attention, properties of stimuli, and tasks demands. Using a recently introduced methodology, we track the event-related changes in network organization, at source space level, thus providing a more global and complete view of the stages of processing associated with the regional changes in activity. The results suggest the time evolving modularity as an additional brain code that is accessible with noninvasive means and hence available for personalized monitoring and clinical applications.

  3. Source space analysis of event-related dynamic reorganization of brain networks.

    Science.gov (United States)

    Ioannides, Andreas A; Dimitriadis, Stavros I; Saridis, George A; Voultsidou, Marotesa; Poghosyan, Vahe; Liu, Lichan; Laskaris, Nikolaos A

    2012-01-01

    How the brain works is nowadays synonymous with how different parts of the brain work together and the derivation of mathematical descriptions for the functional connectivity patterns that can be objectively derived from data of different neuroimaging techniques. In most cases static networks are studied, often relying on resting state recordings. Here, we present a quantitative study of dynamic reconfiguration of connectivity for event-related experiments. Our motivation is the development of a methodology that can be used for personalized monitoring of brain activity. In line with this motivation, we use data with visual stimuli from a typical subject that participated in different experiments that were previously analyzed with traditional methods. The earlier studies identified well-defined changes in specific brain areas at specific latencies related to attention, properties of stimuli, and tasks demands. Using a recently introduced methodology, we track the event-related changes in network organization, at source space level, thus providing a more global and complete view of the stages of processing associated with the regional changes in activity. The results suggest the time evolving modularity as an additional brain code that is accessible with noninvasive means and hence available for personalized monitoring and clinical applications.

  4. Dynamical Changes Induced by the Solar Proton Events in October-November 2003

    Science.gov (United States)

    Jackman, C. H.; Roble, R. G.; Fleming, E. L.

    2006-05-01

    The very large solar storms in October-November 2003 caused solar proton events (SPEs) at the Earth and impacted the upper atmospheric polar cap regions. The Thermosphere Ionosphere Mesosphere Electrodynamic General Circulation Mode (TIME-GCM) was used to study the atmospheric dynamical influence of the solar protons that occurred in Oct-Nov 2003, the fourth largest period of SPEs measured in the past 40 years. The highly energetic solar protons caused ionization and changes in the electric field, which led to Joule heating of the mesosphere and lower thermosphere. This heating led to temperature increases up to 4K in the upper mesosphere. The solar proton-induced ionization, as well as dissociation processes, led to the production of odd hydrogen (HOx) and odd nitrogen (NOy). Substantial (>40%) short-lived ozone decreases followed these enhancements of HOx and NOy and led to a cooling of the mesosphere and upper stratosphere. This cooling led to temperature decreases up to 2.5K. The solar proton-caused temperature changes led to maximum meridional and zonal wind variations of +/- 2 m/s on background winds up to +/- 30 m/s. The solar proton-induced wind perturbations were computed to taper off over a period of several days past the SPEs. Solar cycle 23 was accompanied by ten very large SPEs between 1998 and 2005, along with numerous smaller events. These solar proton-driven atmospheric variations need to be carefully considered when examining other polar changes.

  5. Position sensitive regions in a generic radiation sensor based on single event upsets in dynamic RAMs

    International Nuclear Information System (INIS)

    Darambara, D.G.; Spyrou, N.M.

    1997-01-01

    Modern integrated circuits are highly complex systems and, as such, are susceptible to occasional failures. Semiconductor memory devices, particularly dynamic random access memories (dRAMs), are subject to random, transient single event upsets (SEUs) created by energetic ionizing radiation. These radiation-induced soft failures in the stored data of silicon based memory chips provide the foundation for a new, highly efficient, low cost generic radiation sensor. The susceptibility and the detection efficiency of a given dRAM device to SEUs is a complicated function of the circuit design and geometry, the operating conditions and the physics of the charge collection mechanisms involved. Typically, soft error rates measure the cumulative response of all sensitive regions of the memory by broad area chip exposure in ionizing radiation environments. However, this study shows that many regions of a dynamic memory are competing charge collection centres having different upset thresholds. The contribution to soft fails from discrete regions or individual circuit elements of the memory device is unambiguously separated. Hence the use of the dRAM as a position sensitive radiation detector, with high spatial resolution, is assessed and demonstrated. (orig.)

  6. Temporal variability in phosphorus transfers: classifying concentration–discharge event dynamics

    Directory of Open Access Journals (Sweden)

    P. Haygarth

    2004-01-01

    Full Text Available The importance of temporal variability in relationships between phosphorus (P concentration (Cp and discharge (Q is linked to a simple means of classifying the circumstances of Cp–Q relationships in terms of functional types of response. New experimental data at the upstream interface of grassland soil and catchment systems at a range of scales (lysimeters to headwaters in England and Australia are used to demonstrate the potential of such an approach. Three types of event are defined as Types 1–3, depending on whether the relative change in Q exceeds the relative change in Cp (Type 1, whether Cp and Q are positively inter-related (Type 2 and whether Cp varies yet Q is unchanged (Type 3. The classification helps to characterise circumstances that can be explained mechanistically in relation to (i the scale of the study (with a tendency towards Type 1 in small scale lysimeters, (ii the form of P with a tendency for Type 1 for soluble (i.e., p–Q relationships that can be developed further to contribute to future models of P transfer and delivery from slope to stream. Studies that evaluate the temporal dynamics of the transfer of P are currently grossly under-represented in comparison with models based on static/spatial factors. Keywords: phosphorus, concentration, discharge, lysimeters, temporal dynamics, overland flow

  7. SIMULATED HUMAN ERROR PROBABILITY AND ITS APPLICATION TO DYNAMIC HUMAN FAILURE EVENTS

    Energy Technology Data Exchange (ETDEWEB)

    Herberger, Sarah M.; Boring, Ronald L.

    2016-10-01

    Abstract Objectives: Human reliability analysis (HRA) methods typically analyze human failure events (HFEs) at the overall task level. For dynamic HRA, it is important to model human activities at the subtask level. There exists a disconnect between dynamic subtask level and static task level that presents issues when modeling dynamic scenarios. For example, the SPAR-H method is typically used to calculate the human error probability (HEP) at the task level. As demonstrated in this paper, quantification in SPAR-H does not translate to the subtask level. Methods: Two different discrete distributions were generated for each SPAR-H Performance Shaping Factor (PSF) to define the frequency of PSF levels. The first distribution was a uniform, or uninformed distribution that assumed the frequency of each PSF level was equally likely. The second non-continuous distribution took the frequency of PSF level as identified from an assessment of the HERA database. These two different approaches were created to identify the resulting distribution of the HEP. The resulting HEP that appears closer to the known distribution, a log-normal centered on 1E-3, is the more desirable. Each approach then has median, average and maximum HFE calculations applied. To calculate these three values, three events, A, B and C are generated from the PSF level frequencies comprised of subtasks. The median HFE selects the median PSF level from each PSF and calculates HEP. The average HFE takes the mean PSF level, and the maximum takes the maximum PSF level. The same data set of subtask HEPs yields starkly different HEPs when aggregated to the HFE level in SPAR-H. Results: Assuming that each PSF level in each HFE is equally likely creates an unrealistic distribution of the HEP that is centered at 1. Next the observed frequency of PSF levels was applied with the resulting HEP behaving log-normally with a majority of the values under 2.5% HEP. The median, average and maximum HFE calculations did yield

  8. Relaxation of synchronization on complex networks.

    Science.gov (United States)

    Son, Seung-Woo; Jeong, Hawoong; Hong, Hyunsuk

    2008-07-01

    We study collective synchronization in a large number of coupled oscillators on various complex networks. In particular, we focus on the relaxation dynamics of the synchronization, which is important from the viewpoint of information transfer or the dynamics of system recovery from a perturbation. We measure the relaxation time tau that is required to establish global synchronization by varying the structural properties of the networks. It is found that the relaxation time in a strong-coupling regime (K>Kc) logarithmically increases with network size N , which is attributed to the initial random phase fluctuation given by O(N-1/2) . After elimination of the initial-phase fluctuation, the relaxation time is found to be independent of the system size; this implies that the local interaction that depends on the structural connectivity is irrelevant in the relaxation dynamics of the synchronization in the strong-coupling regime. The relaxation dynamics is analytically derived in a form independent of the system size, and it exhibits good consistency with numerical simulations. As an application, we also explore the recovery dynamics of the oscillators when perturbations enter the system.

  9. Role of the boundary layer dynamics effects on an extreme air pollution event in Paris

    Science.gov (United States)

    Dupont, J.-C.; Haeffelin, M.; Badosa, J.; Elias, T.; Favez, O.; Petit, J. E.; Meleux, F.; Sciare, J.; Crenn, V.; Bonne, J. L.

    2016-09-01

    The physical and chemical aerosol properties are explored here based on ground-based observations in the Paris region to better understand the role of clouds, radiative fluxes and dynamics on aerosol loading during a heavy regional air pollution that occurred in March 2014 over North-Western Europe. This event is primarily characterized by a fine particle mass (PM2.5) increase from 10 to more than 120 μg m-3 and a simultaneous decrease of the horizontal visibility from 40 to 1 km, mainly due to significant formation of ammonium nitrate particles. The aerosol optical depth (AOD) at 550 nm increased steadily from about 0.06 on March 6 to more than 0.9 five days later. The scattering of the solar radiation by polluted particles induced, at the peak of the heavy pollution event, an instantaneous shortwave flux decrease of about 300 W m-2 for direct irradiance and an increase of about 150 W m-2 for diffuse irradiance (only scattering). The mean surface aerosol effect efficiency (effect per unit optical depth) is of about -80 W m-2 with a mean aerosol direct radiative effect of -23 W m-2. The dynamical and radiative processes that can be responsible for the diurnal cycle of PM2.5 in terms of amplitude and timing are investigated. A comparative analysis is performed for 4 consecutive days (between March 11 and 14), showing that the PM2.5 diurnal cycle can be modulated in time and amplitude by local processes such as the boundary layer depth development (ranging from 100 m to 1350 m), surface relative humidity (100%-35%), thermal structure (10 °C-16 °C for day/night amplitude), dynamics (wind speed ranging from 4 m s-1 to 1.5 m s-1) and turbulence (turbulent kinetic energy reaching 2 m2 s-2) near the surface and wind shear along the vertical. Finally, modeled and measured surface PM2.5 loadings are also compared here, notably illustrating the need of accurate boundary layer depth data for efficient air quality forecasts.

  10. The impact of extreme flooding events and anthropogenic stressors on the macrobenthic communities’ dynamics

    Science.gov (United States)

    Cardoso, P. G.; Raffaelli, D.; Lillebø, A. I.; Verdelhos, T.; Pardal, M. A.

    2008-02-01

    Marine and coastal environments are among the most ecologically and socio-economically important habitats on Earth. However, climate change associated with a variety of anthropogenic stressors (e.g. eutrophication) may interact to produce combined impacts on biodiversity and ecosystem functioning, which in turn will have profound implications for marine ecosystems and the economic and social systems that depend upon them. Over period 1980-2000, the environment of the Mondego estuary, Portugal, has deteriorated through eutrophication, manifested in the replacement of seagrasses by opportunistic macroalgae, degradation of water quality and increased turbidity, and the system has also experienced extreme flood events. A restoration plan was implemented in 1998 which aimed to reverse the eutrophication effects, especially to restore the original natural seagrass ( Zostera noltii) community. This paper explores the interactions between extreme weather events (e.g. intense floods) and anthropogenic stressors (e.g. eutrophication) on the dynamics of the macrobenthic assemblages and the socio-economic implications that follow. We found that during the previous decade, the intensification of extreme flooding events had significant effects on the structure and functioning of macrobenthic communities, specifically a decline in total biomass, a decline in species richness and a decline in suspension feeders. However, the earlier eutrophication process also strongly modified the macrobenthic community, seen as a decline in species richness, increase in detritivores and a decline in herbivores together with a significant increase in small deposit-feeding polychaetes. After the implementation of the management plan, macrobenthic assemblages seemed to be recovering from eutrophication, but it is argued here that those earlier impacts reduced system stability and the resilience of the macrobenthic assemblages, so that its ability to cope with other stressors was compromised. Thus

  11. 1H NMR relaxometry and quadrupole relaxation enhancement as a sensitive probe of dynamical properties of solids—[C(NH2)3]3Bi2I9 as an example

    International Nuclear Information System (INIS)

    Florek-Wojciechowska, M.; Wojciechowski, M.; Brym, Sz.; Kruk, D.; Jakubas, R.

    2016-01-01

    1 H nuclear magnetic resonance relaxometry has been applied to reveal information on dynamics and structure of Gu 3 Bi 2 I 9 ([Gu = C(NH 2 ) 3 ] denotes guanidinium cation). The data have been analyzed in terms of a theory of quadrupole relaxation enhancement, which has been extended here by including effects associated with quadrupole ( 14 N) spin relaxation caused by a fast fluctuating component of the electric field gradient tensor. Two motional processes have been identified: a slow one occurring on a timescale of about 8 × 10 −6 s which has turned out to be (almost) temperature independent, and a fast process in the range of 10 −9 s. From the 1 H- 14 N relaxation contribution (that shows “quadrupole peaks”) the quadrupole parameters, which are a fingerprint of the arrangement of the anionic network, have been determined. It has been demonstrated that the magnitude of the quadrupole coupling considerably changes with temperature and the changes are not caused by phase transitions. At the same time, it has been shown that there is no evidence of abrupt changes in the cationic dynamics and the anionic substructure upon the phase transitions

  12. 1H NMR relaxometry and quadrupole relaxation enhancement as a sensitive probe of dynamical properties of solids—[C(NH2)3]3Bi2I9 as an example

    Science.gov (United States)

    Florek-Wojciechowska, M.; Wojciechowski, M.; Jakubas, R.; Brym, Sz.; Kruk, D.

    2016-02-01

    1H nuclear magnetic resonance relaxometry has been applied to reveal information on dynamics and structure of Gu3Bi2I9 ([Gu = C(NH2)3] denotes guanidinium cation). The data have been analyzed in terms of a theory of quadrupole relaxation enhancement, which has been extended here by including effects associated with quadrupole (14N) spin relaxation caused by a fast fluctuating component of the electric field gradient tensor. Two motional processes have been identified: a slow one occurring on a timescale of about 8 × 10-6 s which has turned out to be (almost) temperature independent, and a fast process in the range of 10-9 s. From the 1H-14N relaxation contribution (that shows "quadrupole peaks") the quadrupole parameters, which are a fingerprint of the arrangement of the anionic network, have been determined. It has been demonstrated that the magnitude of the quadrupole coupling considerably changes with temperature and the changes are not caused by phase transitions. At the same time, it has been shown that there is no evidence of abrupt changes in the cationic dynamics and the anionic substructure upon the phase transitions.

  13. Atmospheric Wind Relaxations and the Oceanic Response in the California Current Large Marine Ecosystem

    Science.gov (United States)

    Fewings, M. R.; Dorman, C. E.; Washburn, L.; Liu, W.

    2010-12-01

    On the West Coast of North America in summer, episodic relaxation of the upwelling-favorable winds causes warm water to propagate northward from southern to central California, against the prevailing currents [Harms and Winant 1998, Winant et al. 2003, Melton et al. 2009]. Similar wind relaxations are an important characteristic of coastal upwelling ecosystems worldwide. Although these wind relaxations have an important influence on coastal ocean dynamics, no description exists of the regional atmospheric patterns that lead to wind relaxations in southern California, or of the regional ocean response. We use QuikSCAT wind stress, North American Regional Reanalysis atmospheric pressure products, water temperature and velocity from coastal ocean moorings, surface ocean currents from high-frequency radars, and MODIS satellite sea-surface temperature and ocean color images to analyze wind relaxation events and the ocean response. We identify the events based on an empirical index calculated from NDBC buoy winds [Melton et al. 2009]. We describe the regional evolution of the atmosphere from the Gulf of Alaska to Baja California over the few days leading up to wind relaxations, and the coastal ocean temperature, color, and current response off southern and central California. We analyze ~100 wind relaxation events in June-September during the QuikSCAT mission, 1999-2009. Our results indicate south-central California wind relaxations in summer are tied to mid-level atmospheric low-pressure systems that form in the Gulf of Alaska and propagate southeastward over 3-5 days. As the low-pressure systems reach southern California, the atmospheric pressure gradient along the coast weakens, causing the surface wind stress to relax to near zero. The weak wind signal appears first at San Diego and propagates northward. QuikSCAT data indicate the relaxed winds extend over the entire Southern California Bight and up to 200 km offshore of central California. Atmospheric dynamics in

  14. Vibrational and Rotational Energy Relaxation in Liquids

    DEFF Research Database (Denmark)

    Petersen, Jakob

    Vibrational and rotational energy relaxation in liquids are studied by means of computer simulations. As a precursor for studying vibrational energy relaxation of a solute molecule subsequent to the formation of a chemical bond, the validity of the classical Bersohn-Zewail model for describing......, the vibrational energy relaxation of I2 subsequent to photodissociation and recombination in CCl4 is studied using classical Molecular Dynamics simulations. The vibrational relaxation times and the time-dependent I-I pair distribution function are compared to new experimental results, and a qualitative agreement...... is found in both cases. Furthermore, the rotational energy relaxation of H2O in liquid water is studied via simulations and a power-and-work analysis. The mechanism of the energy transfer from the rotationally excited H2O molecule to its water neighbors is elucidated, i.e. the energy-accepting degrees...

  15. Dynamical Changes Induced by the Very Large Solar Proton Events in October-November 2003

    Science.gov (United States)

    Jackman, Charles H.; Roble, Raymond G.

    2006-01-01

    The very large solar storms in October-November 2003 caused solar proton events (SPEs) at the Earth and impacted the upper atmospheric polar cap regions. The Thermosphere Ionosphere Mesosphere Electrodynamic General Circulation Mode (TIME-GCM) was used to study the atmospheric dynamical influence of the solar protons that occurred in Oct-Nov 2003, the fourth largest period of SPEs measured in the past 40 years. The highly energetic solar protons caused ionization and changes in the electric field, which led to Joule heating of the mesosphere and lower thermosphere. This heating led to temperature increases up to 4K in the upper mesosphere. The solar proton-induced ionization, as well as dissociation processes, led to the production of odd hydrogen (HO(x)) and odd nitrogen (NO(y)). Substantial (>40%) short-lived ozone decreases followed these enhancements of HO(x) and NO(y) and led to a cooling of the mesosphere and upper stratosphere. This cooling led to temperature decreases up to 2.5K. The solar proton-caused temperature changes led to maximum meridional and zonal wind variations of +/- 2 m/s on background winds up to +/- 30 m/s. The solar proton-induced wind perturbations were computed to taper off over a period of several days past the SPEs. Solar cycle 23 was accompanied by ten very large SPEs between 1998 and 2005, along with numerous smaller events. These solar proton-driven atmospheric variations need to be carefully considered when examining other polar changes.

  16. Using High Energy Precipitation for Magnetic Mapping in the Nightside Transition Region During Dynamic Events

    Science.gov (United States)

    Spanswick, E.

    2017-12-01

    Identifying the magnetic footprint of a satellite can be done using the in situ observations together with some ionospheric or low-altitude satellite observation to argue that the two measurements were made on the same field line. Nishimura et al. [2011], e.g., correlated a time series of chorus wave power near the magnetic equator with the time series of intensities of every pixel of a is roughly magnetically conjugate ASI. Often, the pattern of correlation shows a well-defined peak at the location of the satellite's magnetic footprint. Their results cannot be replicated during dynamic events (e.g., substorms), because the required auroral forms do not occur at such times. It would be important if we could make mappings with such confidence during active times. The Transition Region Explorer (TREx), which is presently being implemented, is a new ground-based facility that will remote sense electron precipitation across 3 hours of MLT and 12 degrees of magnetic latitude spanning the auroral zone in western Canada. TREx includes the world's first imaging riometers array with a contiguous field of view large enough to seamlessly track the spatio-temporal evolution of high energy electron precipitation at mesoscales. Two studies motivated the TREx riometers array. First, Baker et al. [1981] demonstrated riometer absorption is an excellent proxy for the electron energy flux integrated from 30 keV to 200keV keV at the magnetic equator on the flux tube corresponding to the location of that riometers. Second, Spanswick et al. [2007] showed the correlation between the riometers absorption and the integrated electron energy flux near the magnetic equator peaked when the satellite was nearest to conjugate to the riometers. Here we present observations using CANOPUS single beam riometers and CRRES MEB to illustrate how the relative closeness of the footpoint of an equatorial spacecraft can be assessed using high energy precipitation. As well, we present the capabilities of

  17. Corroborative evidences of TV γ -scaling of the α-relaxation originating from the primitive relaxation/JG β relaxation

    Science.gov (United States)

    Ngai, K. L.; Paluch, M.

    2017-12-01

    Successful thermodynamic scaling of the structural alpha-relaxation time or transport coefficients of glass-forming liquids determined at various temperatures T and pressures P means the data conform to a single function of the product variable TVgamma, where V is the specific volume and gamma is a material specific constant. In the past two decades we have witnessed successful TVgamma-scaling in many molecular, polymeric, and even metallic glass-formers, and gamma is related to the slope of the repulsive part of the intermolecular potential. The advances made indicate TVgamma-scaling is an important aspect of the dynamic and thermodynamic properties of glass-formers. In this paper we show the origin of TVgamma-scaling is not from the structural alpha-relaxation time. Instead it comes from its precursor, the Johari-Goldstein beta-relaxation or the primitive relaxation of the Coupling Model and their relaxation times or tau_0 respectively. It is remarkable that all relaxation times are functions of TVgamma with the same gama, as well as the fractional exponent of the Kohlrausch correlation function of the structural alpha-relaxation. We arrive at this conclusion convincingly based on corroborative evidences from a number of experiments and molecular dynamics simulations performed on a wide variety of glass-formers and in conjunction with consistency with the predictions of the Coupling Model.

  18. Relaxation properties in classical diamagnetism

    Science.gov (United States)

    Carati, A.; Benfenati, F.; Galgani, L.

    2011-06-01

    It is an old result of Bohr that, according to classical statistical mechanics, at equilibrium a system of electrons in a static magnetic field presents no magnetization. Thus a magnetization can occur only in an out of equilibrium state, such as that produced through the Foucault currents when a magnetic field is switched on. It was suggested by Bohr that, after the establishment of such a nonequilibrium state, the system of electrons would quickly relax back to equilibrium. In the present paper, we study numerically the relaxation to equilibrium in a modified Bohr model, which is mathematically equivalent to a billiard with obstacles, immersed in a magnetic field that is adiabatically switched on. We show that it is not guaranteed that equilibrium is attained within the typical time scales of microscopic dynamics. Depending on the values of the parameters, one has a relaxation either to equilibrium or to a diamagnetic (presumably metastable) state. The analogy with the relaxation properties in the Fermi Pasta Ulam problem is also pointed out.

  19. Various sizes of sliding event bursts in the plastic flow of metallic glasses based on a spatiotemporal dynamic model

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Jingli, E-mail: renjl@zzu.edu.cn, E-mail: g.wang@shu.edu.cn; Chen, Cun [School of Mathematics and Statistics, Zhengzhou University, Zhengzhou 450001 (China); Wang, Gang, E-mail: renjl@zzu.edu.cn, E-mail: g.wang@shu.edu.cn [Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Cheung, Wing-Sum [Department of Mathematics, The University of HongKong, HongKong (China); Sun, Baoan; Mattern, Norbert [IFW-dresden, Institute for Complex Materials, P.O. Box 27 01 16, D-01171 Dresden (Germany); Siegmund, Stefan [Department of Mathematics, TU Dresden, D-01062 Dresden (Germany); Eckert, Jürgen [IFW-dresden, Institute for Complex Materials, P.O. Box 27 01 16, D-01171 Dresden (Germany); Institute of Materials Science, TU Dresden, D-01062 Dresden (Germany)

    2014-07-21

    This paper presents a spatiotemporal dynamic model based on the interaction between multiple shear bands in the plastic flow of metallic glasses during compressive deformation. Various sizes of sliding events burst in the plastic deformation as the generation of different scales of shear branches occurred; microscopic creep events and delocalized sliding events were analyzed based on the established model. This paper discusses the spatially uniform solutions and traveling wave solution. The phase space of the spatially uniform system applied in this study reflected the chaotic state of the system at a lower strain rate. Moreover, numerical simulation showed that the microscopic creep events were manifested at a lower strain rate, whereas the delocalized sliding events were manifested at a higher strain rate.

  20. Spectra and relaxation dynamics of the pseudohalide (PS) vibrational bands for Ru(bpy)2(PS)2 complexes, PS = CN, NCS and N3

    International Nuclear Information System (INIS)

    Compton, Ryan; Gerardi, Helen K.; Weidinger, Daniel; Brown, Douglas J.; Dressick, Walter J.; Heilweil, Edwin J.; Owrutsky, Jeffrey C.

    2013-01-01

    Highlights: ► Static and transient infrared spectroscopy of pseudohalide bipyridine ruthenium complexes. ► Vibrational energy relaxes faster for the azide than the thiocyanate and cyanide analogs. ► Intramolecular vibrational relaxation is prevalent in cis-Ru(bpy) 2 (N 3 ) 2 . - Abstract: Static and transient infrared spectroscopy were used to investigate cis-Ru(bpy) 2 (N 3 ) 2 (bpy = 2,2′-bipyridine), cis-Ru(bpy) 2 (NCS) 2 , and cis-Ru(bpy) 2 (CN) 2 in solution. The NC stretching IR band for cis-Ru(bpy) 2 (NCS) 2 appears at higher frequency (∼2106 cm −1 in DMSO) than for the free NCS − anion while the IR bands for the azide and cyanide complexes are closer to those of the respective free anions. The vibrational energy relaxation (VER) lifetime for the azide complex is found to be much shorter (∼5 ps) than for either the NCS or CN species (both ∼70 ps in DMSO) and the lifetimes resemble those for each corresponding free anion in solution. However, for cis-Ru(bpy) 2 (N 3 ) 2 , it is determined that the transition frequency depends more on the solvent than the VER lifetime implying that intramolecular vibrational relaxation is predominant over solvent energy-extracting interactions. These results are compared to the behavior of other related metal complexes in solution

  1. Initial Chemical Events in CL-20 Under Extreme Conditions: An Ab Initio Molecular Dynamics Study

    National Research Council Canada - National Science Library

    Isaev, Olexandr; Kholod, Yana; Gorb, Leonid; Qasim, Mohammad; Fredrickson, Herb; Leszczynski, Jerzy

    2006-01-01

    .... In the present study molecular structure, electrostatic potential, vibrational spectrum and dynamics of thermal decomposition of CL-20 have been investigated by static and dynamic methods of ab...

  2. Development of a viscoplastic dynamic fracture mechanics treatment for crack arrest predictions in a PTS event

    International Nuclear Information System (INIS)

    Kanninen, M.F.; Hudak, S.J. Jr.; Reed, K.W.; Dexter, R.J.; Polch, E.Z.; Cardinal, J.W.; Achenbach, J.D.; Popelar, C.H.

    1986-01-01

    The objective of this research is to develop a fundamentally correct methodology for the prediction of crack arrest at the high upper shelf conditions occurring in a postulated pressurized thermal shock (PTS) event. The effort is aimed at the development of a versatile finite-element method for the solution of time-dependent boundary value problems that admit inertia effects, a prescribed spatial temperature distribution, and viscoplastic constitutive and fracture behavior. Supporting this development are (1) material characterization and fracture experimentation, (2) detailed mathematical analyses of the near-tip region, (3) elastodynamic fracture analysis, and (4) elastic-plastic tearing instability analyses. As a first step, dynamic-viscoplastic analyses are currently being made of the wide plate tests being performed by the National Bureau of Standards in a companion HSST program. Some preliminary conclusions drawn from this work and from the supporting research activities are offered in this paper. The outstanding critical issues that subsequent research must focus on are also described

  3. Ab Initio Study of the Dynamical Si–O Bond Breaking Event in α-Quartz

    International Nuclear Information System (INIS)

    Su Rui; Zhang Hong; Han Wei; Chen Jun

    2015-01-01

    The Si–O bond breaking event in the α-quartz at the first triplet (T_1) excitation state is studied by using ab initio molecular dynamics (AIMD) and nudged elastic band calculations. A meta-stable non-bridging oxygen hole center and E′ center (NBOHC-E′) is observed in the AIMD which consists of a broken Si–O bond with a Si–O distance of 2.54 Å. By disallowing the re-bonding of the Si and O atoms, another defect configuration (III-Si/V-Si) is obtained and validated to be stable at both ground and excitation states. The NBOHC-E′ is found to present on the minimal energy pathway of the initial to III-Si/V-Si transition, showing that the generating of the NBOHC-E′ is an important step of the excitation induced structure defect. The energy barriers to produce the NBOHC-E′ and III-Si/V-Si defects are calculated to be 1.19 and 1.28 eV, respectively. The electronic structures of the two defects are calculated by the self-consistent GW calculations and the results show a clear electron transition from the bonding orbital to the non-bonding orbital. (paper)

  4. Temporal variability in phosphorus transfers: classifying concentration-discharge event dynamics

    Science.gov (United States)

    Haygarth, P.; Turner, B. L.; Fraser, A.; Jarvis, S.; Harrod, T.; Nash, D.; Halliwell, D.; Page, T.; Beven, K.

    The importance of temporal variability in relationships between phosphorus (P) concentration (Cp) and discharge (Q) is linked to a simple means of classifying the circumstances of Cp-Q relationships in terms of functional types of response. New experimental data at the upstream interface of grassland soil and catchment systems at a range of scales (lysimeters to headwaters) in England and Australia are used to demonstrate the potential of such an approach. Three types of event are defined as Types 1-3, depending on whether the relative change in Q exceeds the relative change in Cp (Type 1), whether Cp and Q are positively inter-related (Type 2) and whether Cp varies yet Q is unchanged (Type 3). The classification helps to characterise circumstances that can be explained mechanistically in relation to (i) the scale of the study (with a tendency towards Type 1 in small scale lysimeters), (ii) the form of P with a tendency for Type 1 for soluble (i.e., <0.45 μm P forms) and (iii) the sources of P with Type 3 dominant where P availability overrides transport controls. This simple framework provides a basis for development of a more complex and quantitative classification of Cp-Q relationships that can be developed further to contribute to future models of P transfer and delivery from slope to stream. Studies that evaluate the temporal dynamics of the transfer of P are currently grossly under-represented in comparison with models based on static/spatial factors.

  5. Mechanical relaxation in glasses

    International Nuclear Information System (INIS)

    Hiki, Y.

    2004-01-01

    The basic properties of glasses and the characteristics of mechanical relaxation in glasses were briefly reviewed, and then our studies concerned were presented. Experimental methods adopted were viscosity, internal friction, ultrasonic attenuation, and Brillouin scattering measurements. The specimens used were several kinds of inorganic, organic, and metallic glasses. The measurements were mainly carried out from the room temperature up to the glass transition temperature, and the relaxation time was determined as a function of temperature. The 'double relaxation' composed of two Arrhenius-type relaxations was observed in many materials. In both relaxations, the 'compensation effect' showing a correlation of the pre-exponential factor and the activation energy was observed. These results were explained by considering the 'complex relaxation' due to cooperative motions of atoms or group of atoms. Values of activation energy near the glass transition determined by the various experimental methods were compared with each other

  6. Spin relaxation in nanowires by hyperfine coupling

    International Nuclear Information System (INIS)

    Echeverria-Arrondo, C.; Sherman, E.Ya.

    2012-01-01

    Hyperfine interactions establish limits on spin dynamics and relaxation rates in ensembles of semiconductor quantum dots. It is the confinement of electrons which determines nonzero hyperfine coupling and leads to the spin relaxation. As a result, in nanowires one would expect the vanishing of this effect due to extended electron states. However, even for relatively clean wires, disorder plays a crucial role and makes electron localization sufficient to cause spin relaxation on the time scale of the order of 10 ns. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Stress Relaxation in Entangled Polymer Melts

    DEFF Research Database (Denmark)

    Hou, Ji-Xuan; Svaneborg, Carsten; Everaers, Ralf

    2010-01-01

    We present an extensive set of simulation results for the stress relaxation in equilibrium and step-strained bead-spring polymer melts. The data allow us to explore the chain dynamics and the shear relaxation modulus, G(t), into the plateau regime for chains with Z=40 entanglements...... and into the terminal relaxation regime for Z=10. Using the known (Rouse) mobility of unentangled chains and the melt entanglement length determined via the primitive path analysis of the microscopic topological state of our systems, we have performed parameter-free tests of several different tube models. We find...

  8. Slow relaxation in weakly open rational polygons.

    Science.gov (United States)

    Kokshenev, Valery B; Vicentini, Eduardo

    2003-07-01

    The interplay between the regular (piecewise-linear) and irregular (vertex-angle) boundary effects in nonintegrable rational polygonal billiards (of m equal sides) is discussed. Decay dynamics in polygons (of perimeter P(m) and small opening Delta) is analyzed through the late-time survival probability S(m) approximately equal t(-delta). Two distinct slow relaxation channels are established. The primary universal channel exhibits relaxation of regular sliding orbits, with delta=1. The secondary channel is given by delta>1 and becomes open when m>P(m)/Delta. It originates from vertex order-disorder dual effects and is due to relaxation of chaoticlike excitations.

  9. Offside Decisions by Expert Assistant Referees in Association Football: Perception and Recall of Spatial Positions in Complex Dynamic Events

    Science.gov (United States)

    Gilis, Bart; Helsen, Werner; Catteeuw, Peter; Wagemans, Johan

    2008-01-01

    This study investigated the offside decision-making process in association football. The first aim was to capture the specific offside decision-making skills in complex dynamic events. Second, we analyzed the type of errors to investigate the factors leading to incorrect decisions. Federation Internationale de Football Association (FIFA; n = 29)…

  10. A fast dynamic mode in rare earth based glasses

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, L. Z.; Xue, R. J.; Zhu, Z. G.; Wang, W. H.; Bai, H. Y., E-mail: hybai@iphy.ac.cn [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Ngai, K. L. [Dipartimento di Fisica, Università di Pisa, Largo B. Pontecorvo 3, I-56127 Pisa (Italy)

    2016-05-28

    Metallic glasses (MGs) usually exhibit only slow β-relaxation peak, and the signature of the fast dynamic is challenging to be observed experimentally in MGs. We report a general and unusual fast dynamic mode in a series of rare earth based MGs manifested as a distinct fast β′-relaxation peak in addition to slow β-relaxation and α-relaxation peaks. We show that the activation energy of the fast β′-relaxation is about 12RT{sub g} and is equivalent to the activation of localized flow event. The coupling of these dynamic processes as well as their relationship with glass transition and structural heterogeneity is discussed.

  11. Moisture Sources and Large-Scale Dynamics Associated with a Flash Flood Event in Portugal

    Science.gov (United States)

    Liberato, Margarida L. R.; Ramos, Alexandre M.; Trigo, Ricardo M.; Trigo, Isabel F.; María Durán-Quesada, Ana; Nieto, Raquel; Gimeno, Luis

    2013-04-01

    through FCT (Fundação para a Ciência e a Tecnologia, Portugal) through project STORMEx FCOMP-01-0124-FEDER-019524 (PTDC/AAC-CLI/121339/2010). Margarida L. R. Liberato was also supported by a FCT grant (SFRH/BPD/45080/2008). Liberato M. L. R., A. M. Ramos, R. M. Trigo, I. F. Trigo, A. M. Durán-Quesada, R. Nieto, and L. Gimeno (2012) Moisture Sources and Large-scale Dynamics Associated with a Flash Flood Event. Lagrangian Modeling of the Atmosphere, Geophysical Monograph Series (in press). Stohl, A., and P. James (2004), A Lagrangian analysis of the atmospheric branch of the global water cycle. Part I: Method description, validation, and demonstration for the August 2002 flooding in central Europe, J. Hydrometeorol., 5, 656-678. Stohl, A., and P. James (2005), A Lagrangian analysis of the atmospheric branch of the global water cycle. Part II: Earth's river catchments, ocean basins, and moisture transports between them, J. Hydrometeorol., 6, 961-984. Zêzere, J. L., R. M. Trigo, and I. F. Trigo (2005), Shallow and deep landslides induced by rainfall in the Lisbon region (Portugal): Assessment of relationships with the North Atlantic Oscillation, Nat. Hazards Earth Syst. Sci., 5, 331-344.

  12. Investigations of Relaxation Dynamics and Observation of Nearly Constant Loss Phenomena in PEO_2_0-LiCF_3SO_3-ZrO_2 Based Polymer Nano-Composite Electrolyte

    International Nuclear Information System (INIS)

    Dam, Tapabrata; Tripathy, Satya N.; Paluch, Marian; Jena, Sidhartha S.; Pradhan, Dillip K.

    2016-01-01

    Highlights: • Ion conduction mechanism is studied using broad band dielectric spectroscopy. • Existence and cause of Nearly Constant Loss is explored. • The crossover between UDR to NCL phenomena is investigated. • Effect of filler concentration on ion transport using scaling approach is discussed. - Abstract: The conduction mechanism of polymer nano-composite electrolytes are studied using broadband dielectric spectroscopy over a wide range of frequency and temperature. The polymer nano-composites consisting of polyethylene oxide as polymer host, lithium trifluoromethanesulfonate as salt, and nano-crystalline zirconia as filler are prepared using solution casting method. Formation of polymer salt complex and nano-composites are confirmed from x-ray diffraction studies. The electrical conductivity and relaxation phenomena of the polymer salt complex as well as the composites are studied using broadband dielectric spectroscopy. At room temperature, the dc conductivity of the polymer nano-composites are found higher by two orders of magnitude than that of corresponding polymer salt complex. Temperature dependence of dc conductivity is following Vogel-Tamman-Fulcher trend, suggesting strong coupling between ionic conductivity and segmental relaxation in polymer electrolytes. Relaxation phenomena are studied with dielectric and modulus formalism. Frequency dependent ac conductivity show universal dielectric response and nearly constant loss features at high and low temperature regions respectively. The origin of universal dielectric response and nearly constant loss are analysed and discussed using different approaches. Kramer - Krönig approach suggests the origin of nearly constant loss is due to caged ion dynamics feature.

  13. Modification of the SAS4A Safety Analysis Code for Integration with the ADAPT Discrete Dynamic Event Tree Framework.

    Energy Technology Data Exchange (ETDEWEB)

    Jankovsky, Zachary Kyle [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Denman, Matthew R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-05-01

    It is difficult to assess the consequences of a transient in a sodium-cooled fast reactor (SFR) using traditional probabilistic risk assessment (PRA) methods, as numerous safety-related sys- tems have passive characteristics. Often there is significant dependence on the value of con- tinuous stochastic parameters rather than binary success/failure determinations. One form of dynamic PRA uses a system simulator to represent the progression of a transient, tracking events through time in a discrete dynamic event tree (DDET). In order to function in a DDET environment, a simulator must have characteristics that make it amenable to changing physical parameters midway through the analysis. The SAS4A SFR system analysis code did not have these characteristics as received. This report describes the code modifications made to allow dynamic operation as well as the linking to a Sandia DDET driver code. A test case is briefly described to demonstrate the utility of the changes.

  14. The influence of hydrologic residence time on lake carbon cycling dynamics following extreme precipitation events

    Science.gov (United States)

    Jacob A. Zwart; Stephen D. Sebestyen; Christopher T. Solomon; Stuart E. Jones

    2016-01-01

    The frequency and magnitude of extreme events are expected to increase in the future, yet little is known about effects of such events on ecosystem structure and function. We examined how extreme precipitation events affect exports of terrestrial dissolved organic carbon (t-DOC) from watersheds to lakes as well as in-lake heterotrophy in three north-temperate lakes....

  15. Relaxation characteristics of hastelloy X

    International Nuclear Information System (INIS)

    Suzuki, Kazuhiko

    1980-02-01

    Relaxation diagrams of Hastelloy X (relaxation curves, relaxation design diagrams, etc.) were generated from the creep constitutive equation of Hastelloy X, using inelastic stress analysis code TEPICC-J. These data are in good agreement with experimental relaxation data of ORNL-5479. Three typical inelastic stress analyses were performed for various relaxation behaviors of the high-temperature structures. An attempt was also made to predict these relaxation behaviors by the relaxation curves. (author)

  16. Effects of spin vacancies on the correlated spin dynamics in La2Cu1-xZnxO4 from 63Cu nuclear quadrupole resonance relaxation

    International Nuclear Information System (INIS)

    Carretta, P.; Rigamonti, A.; Sala, R.

    1997-01-01

    63 Cu nuclear quadrupole resonance (NQR) relaxation measurements in La 2 CuO 4 doped Zn are used in order to investigate the temperature dependence of the in-plane magnetic correlation length ξ 2D and the effects associated to spin vacancies in two dimensional quantum Heisenberg antiferromagnets (QHAF). The relaxation rates T 1 -1 and T 2 -1 have been related to the static generalized susceptibility χ(q,0) and to the decay rate Γ q of the normal excitations. By using scaling arguments for χ(q,0) and Γ q , the relaxation rates have been expressed in close form in terms of ξ 2D (x,T) and its dependence on temperature and spin doping x thus extracted. The experimental findings are analyzed in light of the renormalized classical (RC) and quantum critical (QC) behaviors predicted for ξ 2D by recent theories for S=1/2 HAF in square lattices. It is first shown that in pure La 2 CuO 4 , ξ 2D is consistent with a RC regime up to about 900 K, with tendency toward the QC regime above. The spin vacancies reduce the Nacute eel temperature according to the law T N (x)∼T N (0)(1 3.5x). From the temperature dependence of 63 Cu NQR relaxation rate T 1 -1 , T 2 -1 and from the composition dependence of T N it is consistently proved that the effect on ξ 2D can be accounted for by the modification of the spin stiffness in a simple dilutionlike model, the system still remaining in the RC regime, at least for T≤900 K. copyright 1997 American Institute of Physics

  17. A distributed real-time system for event-driven control and dynamic data acquisition on a fusion plasma experiment

    International Nuclear Information System (INIS)

    Sousa, J.; Combo, A.; Batista, A.; Correia, M.; Trotman, D.; Waterhouse, J.; Varandas, C.A.F.

    2000-01-01

    A distributed real-time trigger and timing system, designed in a tree-type topology and implemented in VME and CAMAC versions, has been developed for a magnetic confinement fusion experiment. It provides sub-microsecond time latencies for the transport of small data objects allowing event-driven discharge control with failure counteraction, dynamic pre-trigger sampling and event recording as well as accurate simultaneous triggers and synchronism on all nodes with acceptable optimality and predictability of timeliness. This paper describes the technical characteristics of the hardware components (central unit composed by one or more reflector crates, event and synchronism reflector cards, event and pulse node module, fan-out and fan-in modules) as well as software for both tests and integration on a global data acquisition system. The results of laboratory operation for several configurations and the overall performance of the system are presented and analysed

  18. Competitive Semantic Memory Retrieval: Temporal Dynamics Revealed by Event-Related Potentials.

    Directory of Open Access Journals (Sweden)

    Robin Hellerstedt

    Full Text Available Memories compete for retrieval when they are related to a common retrieval cue. Previous research has shown that retrieval of a target memory may lead to subsequent retrieval-induced forgetting (RIF of currently irrelevant competing memories. In the present study, we investigated the time course of competitive semantic retrieval and examined the neurocognitive mechanisms underlying RIF. We contrasted two theoretical accounts of RIF by examining a critical aspect of this memory phenomenon, namely the extent to which it depends on successful retrieval of the target memory. Participants first studied category-exemplar word-pairs (e.g. Fruit-Apple. Next, we recorded electrophysiological measures of brain activity while the participants performed a competitive semantic cued-recall task. In this task, the participants were provided with the studied categories but they were instructed to retrieve other unstudied exemplars (e.g. Fruit-Ma__?. We investigated the event-related potential (ERP correlates of retrieval success by comparing ERPs from successful and failed retrieval trials. To isolate the ERP correlates of continuous retrieval attempts from the ERP correlates of retrieval success, we included an impossible retrieval condition, with incompletable word-stem cues (Drinks-Wy__ and compared it with a non-retrieval presentation baseline condition (Occupation-Dentist. The participants' memory for all the studied exemplars was tested in the final phase of the experiment. Taken together, the behavioural results suggest that RIF is independent of target retrieval. Beyond investigating the mechanisms underlying RIF, the present study also elucidates the temporal dynamics of semantic cued-recall by isolating the ERP correlates of retrieval attempt and retrieval success. The ERP results revealed that retrieval attempt is reflected in a late posterior negativity, possibly indicating construction of candidates for completing the word-stem cue and retrieval

  19. Competitive Semantic Memory Retrieval: Temporal Dynamics Revealed by Event-Related Potentials

    Science.gov (United States)

    Hellerstedt, Robin; Johansson, Mikael

    2016-01-01

    Memories compete for retrieval when they are related to a common retrieval cue. Previous research has shown that retrieval of a target memory may lead to subsequent retrieval-induced forgetting (RIF) of currently irrelevant competing memories. In the present study, we investigated the time course of competitive semantic retrieval and examined the neurocognitive mechanisms underlying RIF. We contrasted two theoretical accounts of RIF by examining a critical aspect of this memory phenomenon, namely the extent to which it depends on successful retrieval of the target memory. Participants first studied category-exemplar word-pairs (e.g. Fruit—Apple). Next, we recorded electrophysiological measures of brain activity while the participants performed a competitive semantic cued-recall task. In this task, the participants were provided with the studied categories but they were instructed to retrieve other unstudied exemplars (e.g. Fruit—Ma__?). We investigated the event-related potential (ERP) correlates of retrieval success by comparing ERPs from successful and failed retrieval trials. To isolate the ERP correlates of continuous retrieval attempts from the ERP correlates of retrieval success, we included an impossible retrieval condition, with incompletable word-stem cues (Drinks—Wy__) and compared it with a non-retrieval presentation baseline condition (Occupation—Dentist). The participants’ memory for all the studied exemplars was tested in the final phase of the experiment. Taken together, the behavioural results suggest that RIF is independent of target retrieval. Beyond investigating the mechanisms underlying RIF, the present study also elucidates the temporal dynamics of semantic cued-recall by isolating the ERP correlates of retrieval attempt and retrieval success. The ERP results revealed that retrieval attempt is reflected in a late posterior negativity, possibly indicating construction of candidates for completing the word-stem cue and retrieval

  20. Competitive Semantic Memory Retrieval: Temporal Dynamics Revealed by Event-Related Potentials.

    Science.gov (United States)

    Hellerstedt, Robin; Johansson, Mikael

    2016-01-01

    Memories compete for retrieval when they are related to a common retrieval cue. Previous research has shown that retrieval of a target memory may lead to subsequent retrieval-induced forgetting (RIF) of currently irrelevant competing memories. In the present study, we investigated the time course of competitive semantic retrieval and examined the neurocognitive mechanisms underlying RIF. We contrasted two theoretical accounts of RIF by examining a critical aspect of this memory phenomenon, namely the extent to which it depends on successful retrieval of the target memory. Participants first studied category-exemplar word-pairs (e.g. Fruit-Apple). Next, we recorded electrophysiological measures of brain activity while the participants performed a competitive semantic cued-recall task. In this task, the participants were provided with the studied categories but they were instructed to retrieve other unstudied exemplars (e.g. Fruit-Ma__?). We investigated the event-related potential (ERP) correlates of retrieval success by comparing ERPs from successful and failed retrieval trials. To isolate the ERP correlates of continuous retrieval attempts from the ERP correlates of retrieval success, we included an impossible retrieval condition, with incompletable word-stem cues (Drinks-Wy__) and compared it with a non-retrieval presentation baseline condition (Occupation-Dentist). The participants' memory for all the studied exemplars was tested in the final phase of the experiment. Taken together, the behavioural results suggest that RIF is independent of target retrieval. Beyond investigating the mechanisms underlying RIF, the present study also elucidates the temporal dynamics of semantic cued-recall by isolating the ERP correlates of retrieval attempt and retrieval success. The ERP results revealed that retrieval attempt is reflected in a late posterior negativity, possibly indicating construction of candidates for completing the word-stem cue and retrieval monitoring

  1. Flux transfer events at the dayside magnetopause: Transient reconnection or magnetosheath dynamic pressure pulses?

    International Nuclear Information System (INIS)

    Lockwood, M.

    1991-01-01

    The suggestion is discussed that characteristic particle and field signatures at the dayside magnetopause, termed flux transfer events, are, in at least some cases, due to transient solar wind and/or magnetosheath dynamic pressure increases, rather than time-dependent magnetic reconnection. It is found that most individual cases of FTEs observed by a single spacecraft can, at least qualitatively, be explained by the pressure pulse model, provided a few rather unsatisfactory features of the predictions are explained in terms of measurement uncertainties. The most notable exceptions to this are some two-regime observations made by two satellites simultaneously, one on either side of the magnetopause. However, this configuration has not been frequently achieved for sufficient time, such observations are rare, and the relevant tests are still not conclusive. The strongest evidence that FTEs are produced by magnetic reconnection is the dependence of their occurence on the north-south component of the interplanetary magnetic field (IMF) or of the magnetosheath field. The pressure pulse model provides an explanation for this dependence in the case of magnetosheath FTEs, but does not apply to magnetosphere FTEs. The only surveys of magnetosphere FTEs have not employed the simultaneous IMF, but have shown that their occurence is strongly dependent on the north-south component of the magnetosheath field, as observed earlier/later on the same magnetopause crossing. This paper employs statistics on the variability of the IMF orientation to investigate the effects of IMF changes between the times of the magnetosheath and FTE observations. It is shown that the previously published results are consistent with magnetospheric FTEs being entirely absent when the magentosheath field is northward

  2. TEACHING NEUROMUSCULAR RELAXATION.

    Science.gov (United States)

    NORRIS, JEANNE E.; STEINHAUS, ARTHUR H.

    THIS STUDY ATTEMPTED TO FIND OUT WHETHER (1) THE METHODS FOR ATTAINING NEUROMUSCULAR RELAXATION THAT HAVE PROVED FRUITFUL IN THE ONE-TO-ONE RELATIONSHIP OF THE CLINIC CAN BE SUCCESSFULLY ADAPTED TO THE TEACHER-CLASS RELATIONSHIP OF THE CLASSROOM AND GYMNASIUM, AND (2) NEUROMUSCULAR RELAXATION CAN BE TAUGHT SUCCESSFULLY BY AN APPROPRIATELY TRAINED…

  3. Relaxation of Anisotropic Glasses

    DEFF Research Database (Denmark)

    Deubener, Joachim; Martin, Birgit; Wondraczek, Lothar

    2004-01-01

    . When the load was removed at room temperature a permanent optical anisotropy (birefringence) was observed only perpendicular to cylinder axis and the pressure direction indicating complete elimination of thermal stresses. Relaxation of structural anisotropy was studied from reheating experiments using...... the energy release, thermo-mechanical and optical relaxation behaviour are drawn....

  4. Relaxation techniques for stress

    Science.gov (United States)

    ... raise your heart rate. This is called the stress response. Relaxation techniques can help your body relax and lower your blood pressure ... also many other types of breathing techniques you can learn. In many cases, you do not need much ... including those that cause stress. Meditation has been practiced for thousands of years, ...

  5. Sustainability from the Occurrence of Critical Dynamic Power System Blackout Determined by Using the Stochastic Event Tree Technique

    Directory of Open Access Journals (Sweden)

    Muhammad Murtadha Othman

    2017-06-01

    Full Text Available With the advent of advanced technology in smart grid, the implementation of renewable energy in a stressed and complicated power system operation, aggravated by a competitive electricity market and critical system contingencies, this will inflict higher probabilities of the occurrence of a severe dynamic power system blackout. This paper presents the proposed stochastic event tree technique used to assess the sustainability against the occurrence of dynamic power system blackout emanating from implication of critical system contingencies such as the rapid increase in total loading condition and sensitive initial transmission line tripping. An extensive analysis of dynamic power system blackout has been carried out in a case study of the following power systems: IEEE RTS-79 and IEEE RTS-96. The findings have shown that the total loading conditions and sensitive transmission lines need to be given full attention by the utility to prevent the occurrence of dynamic power system blackout.

  6. Coronal Fine Structure in Dynamic Events Observed by Hi-C

    Science.gov (United States)

    Winebarger, Amy; Schuler, Timothy

    2013-01-01

    The High-Resolution Coronal Imager (Hi-C) flew aboard a NASA sounding rocket on 2012 July 11 and captured roughly 345 s of high spatial and temporal resolution images of the solar corona in a narrowband 193 Angstrom channel. We have analyzed the fluctuations in intensity of Active Region 11520. We selected events based on a lifetime greater than 11 s (two Hi-C frames) and intensities greater than a threshold determined from the photon and readout noise. We compare the Hi-C events with those determined from AIA. We find that HI-C detects shorter and smaller events than AIA. We also find that the intensity increase in the Hi-C events is approx. 3 times greater than the intensity increase in the AIA events we conclude the events are related to linear sub-structure that is unresolved by AIA

  7. The dynamics of daily events and well-being across cultures: when less is more.

    Science.gov (United States)

    Oishi, Shigehiro; Diener, Ed; Choi, Dong-Won; Kim-Prieto, Chu; Choi, Incheol

    2007-10-01

    The authors examined cultural and individual differences in the relation between daily events and daily satisfaction. In a preliminary study, they established cross-cultural equivalence of 50 daily events. In the main study, participants in the United States, Korea, and Japan completed daily surveys on the 50 events and daily satisfaction for 21 days. The multilevel random coefficient model analyses showed that (a) the within-person association between positive events and daily satisfaction was significantly stronger among Asian American, Korean, and Japanese participants than among European American participants and (b) the within-person association between positive events and daily satisfaction was significantly weaker among individuals high in global life satisfaction than among those low in global life satisfaction. The findings demonstrate a weaker effect of positive events on daily well-being among individuals and cultures high in global well-being. (PsycINFO Database Record (c) 2007 APA, all rights reserved).

  8. The relaxation of plasmas with dust particles

    International Nuclear Information System (INIS)

    Chutov, Yu.I.; Kravchenko, A.Yu.; Schram, P.P.J.M.

    1997-01-01

    Various parameters of relaxing plasmas with dust particles including the electron and ion energy distributions function are numerically simulated at various parameters of the dust particles using the PIC method and taking into account the dynamics of the dust particle charge without the assumption about the equilibrium of electrons and ions. Coulomb collisions are taken into account in the framework of the method of stochastic differential equations. The relaxation of bounded plasma clouds expanding into a vacuum as well as the relaxation of a uniform plasma, in which dust particles appear at some initial time, are investigated. The obtained results show that the relaxation of plasmas can be accompanied by a deviation of the ion distribution function from equilibrium as well as a change of the mean energy of electrons and ions because of the dependence of the collection of electrons and ions by dust particles on their energy. (author)

  9. Conductivity peak, relaxation dynamics, and superconducting gap of YBa2Cu3O7 studied by terahertz and femtosecond optical spectroscopies

    International Nuclear Information System (INIS)

    Frenkel, A.; Gao, F.; Liu, Y.; Whitaker, J.F.; Uher, C.; Hou, S.Y.; Phillips, J.M.

    1996-01-01

    Recent measurements at microwave, terahertz (THz), and infrared frequencies have revealed a peak in σ 1 below T c . Based on our THz measurements, which were performed on high quality, single crystal films of YBCO (900 and 500 A), we have found that σ 1 features a peak which increases in amplitude and shifts to lower temperatures as frequency changes from 1.2 to 0.4 THz. Although the quasiparticle relaxation time extracted from these results using the two-fluid Drude model exhibits an enhancement below T c , the analysis may not be adequate to account for the strong frequency dependence of the conductivity peak by the competition between the drop in scattering rate and the decreasing normal fluid density with temperature. On the contrary, we were able to account for the frequency dependent σ 1 by fitting with Mattis-Bardeen theory (modified to include scattering) using a slower average rate of increase of the anisotropic gap than for the BCS case as temperature decreases below T c . This is consistent with the higher normal fluid density (higher than Gorter-Casimir values) from the two-fluid model interpretation of our THz results. Thus, we have found evidence of BCS coherence factors in a high-T c superconductor with a slower than BCS gap increase below T c . We have discussed the role of coherence factors to account for the presence of the conductivity peak and the absence of the peak in NMR relaxation rate. Furthermore, we have presented a model for the quasiparticle relaxation time measured by the femtosecond pump-probe spectroscopy. This model allowed us to find a fit to the temperature-dependent energy gap function which is also consistent with the slower gap increase below T c

  10. Arresting relaxation in Pickering Emulsions

    Science.gov (United States)

    Atherton, Tim; Burke, Chris

    2015-03-01

    Pickering emulsions consist of droplets of one fluid dispersed in a host fluid and stabilized by colloidal particles absorbed at the fluid-fluid interface. Everyday materials such as crude oil and food products like salad dressing are examples of these materials. Particles can stabilize non spherical droplet shapes in these emulsions through the following sequence: first, an isolated droplet is deformed, e.g. by an electric field, increasing the surface area above the equilibrium value; additional particles are then adsorbed to the interface reducing the surface tension. The droplet is then allowed to relax toward a sphere. If more particles were adsorbed than can be accommodated by the surface area of the spherical ground state, relaxation of the droplet is arrested at some non-spherical shape. Because the energetic cost of removing adsorbed colloids exceeds the interfacial driving force, these configurations can remain stable over long timescales. In this presentation, we present a computational study of the ordering present in anisotropic droplets produced through the mechanism of arrested relaxation and discuss the interplay between the geometry of the droplet, the dynamical process that produced it, and the structure of the defects observed.

  11. The relaxation time approximation

    International Nuclear Information System (INIS)

    Gairola, R.P.; Indu, B.D.

    1991-01-01

    A plausible approximation has been made to estimate the relaxation time from a knowledge of the transition probability of phonons from one state (r vector, q vector) to other state (r' vector, q' vector), as a result of collision. The relaxation time, thus obtained, shows a strong dependence on temperature and weak dependence on the wave vector. In view of this dependence, relaxation time has been expressed in terms of a temperature Taylor's series in the first Brillouin zone. Consequently, a simple model for estimating the thermal conductivity is suggested. the calculations become much easier than the Callaway model. (author). 14 refs

  12. Contrasting safety assessments of a runway incursion scenario: Event sequence analysis versus multi-agent dynamic risk modelling

    International Nuclear Information System (INIS)

    Stroeve, Sybert H.; Blom, Henk A.P.; Bakker, G.J.

    2013-01-01

    In the safety literature it has been argued, that in a complex socio-technical system safety cannot be well analysed by event sequence based approaches, but requires to capture the complex interactions and performance variability of the socio-technical system. In order to evaluate the quantitative and practical consequences of these arguments, this study compares two approaches to assess accident risk of an example safety critical sociotechnical system. It contrasts an event sequence based assessment with a multi-agent dynamic risk model (MA-DRM) based assessment, both of which are performed for a particular runway incursion scenario. The event sequence analysis uses the well-known event tree modelling formalism and the MA-DRM based approach combines agent based modelling, hybrid Petri nets and rare event Monte Carlo simulation. The comparison addresses qualitative and quantitative differences in the methods, attained risk levels, and in the prime factors influencing the safety of the operation. The assessments show considerable differences in the accident risk implications of the performance of human operators and technical systems in the runway incursion scenario. In contrast with the event sequence based results, the MA-DRM based results show that the accident risk is not manifest from the performance of and relations between individual human operators and technical systems. Instead, the safety risk emerges from the totality of the performance and interactions in the agent based model of the safety critical operation considered, which coincides very well with the argumentation in the safety literature.

  13. Synoptic thermodynamic and dynamic patterns associated with Quitandinha River flooding events in Petropolis, Rio de Janeiro (Brazil)

    Science.gov (United States)

    da Silva, Fabricio Polifke; Justi da Silva, Maria Gertrudes Alvarez; Rotunno Filho, Otto Corrêa; Pires, Gisele Dornelles; Sampaio, Rafael João; de Araújo, Afonso Augusto Magalhães

    2018-05-01

    Natural disasters are the result of extreme or intense natural phenomena that cause severe impacts on society. These impacts can be mitigated through preventive measures that can be aided by better knowledge of extreme phenomena and monitoring of forecasting and alert systems. The city of Petropolis (in a mountainous region of the state of Rio de Janeiro, Brazil) is prone to heavy rain events, often leading to River overflows, landslides, and loss of life. In that context, this work endeavored to characterize the thermodynamic and dynamic synoptic patterns that trigger heavy rainfall episodes and the corresponding flooding of Quitandinha River. More specifically, we reviewed events from the time period between January 2013 and December 2014 using reanalysis data. We expect that the overall description obtained of synoptic patterns should provide adequate qualitative aid to the decision-making processes involved in operational forecasting procedures. We noticed that flooding events were related to the presence of the South Atlantic Convergence Zone (SACZ), frontal systems (FS), and convective storms (CS). These systems showed a similar behavior on high-frequency wind components, notably with respect to northwest winds before precipitation and to a strong southwest wind component during rainfall events. Clustering analyses indicated that the main component for precipitation formation with regard to CS systems comes from daytime heating, with the dynamic component presenting greater efficiency for the FS configurations. The SACZ events were influenced by moisture availability along the vertical column of the atmosphere and also due to dynamic components of precipitation efficiency and daytime heating, the latter related to the continuous transport of moisture from the Amazon region and South Atlantic Ocean towards Rio de Janeiro state.

  14. Event-Based Impulsive Control of Continuous-Time Dynamic Systems and Its Application to Synchronization of Memristive Neural Networks.

    Science.gov (United States)

    Zhu, Wei; Wang, Dandan; Liu, Lu; Feng, Gang

    2017-08-18

    This paper investigates exponential stabilization of continuous-time dynamic systems (CDSs) via event-based impulsive control (EIC) approaches, where the impulsive instants are determined by certain state-dependent triggering condition. The global exponential stability criteria via EIC are derived for nonlinear and linear CDSs, respectively. It is also shown that there is no Zeno-behavior for the concerned closed loop control system. In addition, the developed event-based impulsive scheme is applied to the synchronization problem of master and slave memristive neural networks. Furthermore, a self-triggered impulsive control scheme is developed to avoid continuous communication between the master system and slave system. Finally, two numerical simulation examples are presented to illustrate the effectiveness of the proposed event-based impulsive controllers.

  15. Rising tides or rising stars?: Dynamics of shared attention on Twitter during media events.

    Science.gov (United States)

    Lin, Yu-Ru; Keegan, Brian; Margolin, Drew; Lazer, David

    2014-01-01

    "Media events" generate conditions of shared attention as many users simultaneously tune in with the dual screens of broadcast and social media to view and participate. We examine how collective patterns of user behavior under conditions of shared attention are distinct from other "bursts" of activity like breaking news events. Using 290 million tweets from a panel of 193,532 politically active Twitter users, we compare features of their behavior during eight major events during the 2012 U.S. presidential election to examine how patterns of social media use change during these media events compared to "typical" time and whether these changes are attributable to shifts in the behavior of the population as a whole or shifts from particular segments such as elites. Compared to baseline time periods, our findings reveal that media events not only generate large volumes of tweets, but they are also associated with (1) substantial declines in interpersonal communication, (2) more highly concentrated attention by replying to and retweeting particular users, and (3) elite users predominantly benefiting from this attention. These findings empirically demonstrate how bursts of activity on Twitter during media events significantly alter underlying social processes of interpersonal communication and social interaction. Because the behavior of large populations within socio-technical systems can change so dramatically, our findings suggest the need for further research about how social media responses to media events can be used to support collective sensemaking, to promote informed deliberation, and to remain resilient in the face of misinformation.

  16. Rising tides or rising stars?: Dynamics of shared attention on Twitter during media events.

    Directory of Open Access Journals (Sweden)

    Yu-Ru Lin

    Full Text Available "Media events" generate conditions of shared attention as many users simultaneously tune in with the dual screens of broadcast and social media to view and participate. We examine how collective patterns of user behavior under conditions of shared attention are distinct from other "bursts" of activity like breaking news events. Using 290 million tweets from a panel of 193,532 politically active Twitter users, we compare features of their behavior during eight major events during the 2012 U.S. presidential election to examine how patterns of social media use change during these media events compared to "typical" time and whether these changes are attributable to shifts in the behavior of the population as a whole or shifts from particular segments such as elites. Compared to baseline time periods, our findings reveal that media events not only generate large volumes of tweets, but they are also associated with (1 substantial declines in interpersonal communication, (2 more highly concentrated attention by replying to and retweeting particular users, and (3 elite users predominantly benefiting from this attention. These findings empirically demonstrate how bursts of activity on Twitter during media events significantly alter underlying social processes of interpersonal communication and social interaction. Because the behavior of large populations within socio-technical systems can change so dramatically, our findings suggest the need for further research about how social media responses to media events can be used to support collective sensemaking, to promote informed deliberation, and to remain resilient in the face of misinformation.

  17. Research on a Hierarchical Dynamic Automatic Voltage Control System Based on the Discrete Event-Driven Method

    Directory of Open Access Journals (Sweden)

    Yong Min

    2013-06-01

    Full Text Available In this paper, concepts and methods of hybrid control systems are adopted to establish a hierarchical dynamic automatic voltage control (HD-AVC system, realizing the dynamic voltage stability of power grids. An HD-AVC system model consisting of three layers is built based on the hybrid control method and discrete event-driven mechanism. In the Top Layer, discrete events are designed to drive the corresponding control block so as to avoid solving complex multiple objective functions, the power system’s characteristic matrix is formed and the minimum amplitude eigenvalue (MAE is calculated through linearized differential-algebraic equations. MAE is applied to judge the system’s voltage stability and security and construct discrete events. The Middle Layer is responsible for management and operation, which is also driven by discrete events. Control values of the control buses are calculated based on the characteristics of power systems and the sensitivity method. Then control values generate control strategies through the interface block. In the Bottom Layer, various control devices receive and implement the control commands from the Middle Layer. In this way, a closed-loop power system voltage control is achieved. Computer simulations verify the validity and accuracy of the HD-AVC system, and verify that the proposed HD-AVC system is more effective than normal voltage control methods.

  18. Characterizing Storm Event Dynamics of a Forested Watershed in the Lower Atlantic Coastal Plain, South Carolina USA

    Science.gov (United States)

    Latorre Torres, I. B.; Amatya, D. M.; Callahan, T. J.; Levine, N. S.

    2007-12-01

    Hydrology research in the Southeast U.S. has primarily focused on upland mountainous areas; however, much less is known about hydrological processes in Lower Coastal Plain (LCP) watersheds. Such watersheds are difficult to characterize due to shallow water table conditions, low topographic gradient, complex surface- subsurface water interaction, and lack of detailed soil information. Although opportunities to conduct long term monitoring in relatively undeveloped watersheds are often limited, stream flow and rainfall in the Turkey Creek watershed (third-order watershed, about 7200 ha in the Francis Marion National Forest near Charleston, SC) have been monitored since 1964. In this study, event runoff-rainfall ratios have been determined for 51 storm events using historical data from 1964-1973. One of our objectives was to characterize relationships between seasonal event rainfall and storm outflow in this watershed. To this end, observed storm event data were compared with values predicted by established hydrological methods such as the Soil Conservation Service runoff curve number (SCS-CN) and the rational method integrated within a Geographical Information System (GIS), to estimate total event runoff and peak discharge, respectively. Available 1:15000 scale aerial images were digitized to obtain land uses, which were used with the SCS soil hydrologic groups to obtain the runoff coefficients (C) for the rational method and the CN values for the SCS-CN method. These methods are being tested with historical storm event responses in the Turkey Creek watershed scale, and then will be used to predict event runoff in Quinby Creek, an ungauged third-order watershed (8700 ha) adjacent to Turkey Creek. Successful testing with refinement of parameters in the rational method and SCS-CN method, both designed for small urban and agricultural dominated watersheds, may allow widespread application of these methods for studying the event rainfall-runoff dynamics for similar

  19. Online flow cytometry reveals microbial dynamics influenced by concurrent natural and operational events in groundwater used for drinking water treatment.

    Science.gov (United States)

    Besmer, Michael D; Epting, Jannis; Page, Rebecca M; Sigrist, Jürg A; Huggenberger, Peter; Hammes, Frederik

    2016-12-07

    Detailed measurements of physical, chemical and biological dynamics in groundwater are key to understanding the important processes in place and their influence on water quality - particularly when used for drinking water. Measuring temporal bacterial dynamics at high frequency is challenging due to the limitations in automation of sampling and detection of the conventional, cultivation-based microbial methods. In this study, fully automated online flow cytometry was applied in a groundwater system for the first time in order to monitor microbial dynamics in a groundwater extraction well. Measurements of bacterial concentrations every 15 minutes during 14 days revealed both aperiodic and periodic dynamics that could not be detected previously, resulting in total cell concentration (TCC) fluctuations between 120 and 280 cells μL -1 . The aperiodic dynamic was linked to river water contamination following precipitation events, while the (diurnal) periodic dynamic was attributed to changes in hydrological conditions as a consequence of intermittent groundwater extraction. Based on the high number of measurements, the two patterns could be disentangled and quantified separately. This study i) increases the understanding of system performance, ii) helps to optimize monitoring strategies, and iii) opens the possibility for more sophisticated (quantitative) microbial risk assessment of drinking water treatment systems.

  20. Current leakage relaxation and charge trapping in ultra-porous low-k materials

    International Nuclear Information System (INIS)

    Borja, Juan; Plawsky, Joel L.; Gill, William N.; Lu, T.-M.; Bakhru, Hassaram

    2014-01-01

    Time dependent dielectric failure has become a pivotal aspect of interconnect design as industry pursues integration of sub-22 nm process-technology nodes. Literature has provided key information about the role played by individual species such as electrons, holes, ions, and neutral impurity atoms. However, no mechanism has been shown to describe how such species interact and influence failure. Current leakage relaxation in low-k dielectrics was studied using bipolar field experiments to gain insight into how charge carrier flow becomes impeded by defects within the dielectric matrix. Leakage current decay was correlated to injection and trapping of electrons. We show that current relaxation upon inversion of the applied field can be described by the stretched exponential function. The kinetics of charge trapping events are consistent with a time-dependent reaction rate constant, k=k 0 ⋅(t+1) β−1 , where 0 < β < 1. Such dynamics have previously been observed in studies of charge trapping reactions in amorphous solids by W. H. Hamill and K. Funabashi, Phys. Rev. B 16, 5523–5527 (1977). We explain the relaxation process in charge trapping events by introducing a nonlinear charge trapping model. This model provides a description on the manner in which the transport of mobile defects affects the long-tail current relaxation processes in low-k films

  1. Dynamics of pollutant discharge in combined sewer systems during rain events: chance or determinism?

    OpenAIRE

    Hannouche , A.; Chebbo , G.; Joannis , C.

    2014-01-01

    International audience; A large database of continuous flow and turbidity measurements cumulating data on hundreds of rain events and dry weather days from two sites in Paris (called Quais and Clichy) and one in Lyon (called Ecully) is presented. This database is used to characterize and compare the behaviour of the three sites at the inter-events scale. The analysis is probed through three various variables: total volumes and total suspended solids (TSS) masses and concentrations during both...

  2. Landquake dynamics inferred from seismic source inversion: Greenland and Sichuan events of 2017

    Science.gov (United States)

    Chao, W. A.

    2017-12-01

    In June 2017 two catastrophic landquake events occurred in Greenland and Sichuan. The Greenland event leads to tsunami hazard in the small town of Nuugaarsiaq. A landquake in Sichuan hit the town, which resulted in over 100 death. Both two events generated the strong seismic signals recorded by the real-time global seismic network. I adopt an inversion algorithm to derive the landquake force time history (LFH) using the long-period waveforms, and the landslide volume ( 76 million m3) can be rapidly estimated, facilitating the tsunami-wave modeling for early warning purpose. Based on an integrated approach involving tsunami forward simulation and seismic waveform inversion, this study has significant implications to issuing actionable warnings before hazardous tsunami waves strike populated areas. Two single-forces (SFs) mechanism (two block model) yields the best explanation for Sichuan event, which demonstrates that secondary event (seismic inferred volume: 8.2 million m3) may be mobilized by collapse-mass hitting from initial rock avalanches ( 5.8 million m3), likely causing a catastrophic disaster. The later source with a force magnitude of 0.9967×1011 N occurred 70 seconds after first mass-movement occurrence. In contrast, first event has the smaller force magnitude of 0.8116×1011 N. In conclusion, seismically inferred physical parameters will substantially contribute to improving our understanding of landquake source mechanisms and mitigating similar hazards in other parts of the world.

  3. Asymptotic representation of relaxation oscillations in lasers

    CERN Document Server

    Grigorieva, Elena V

    2017-01-01

    In this book we analyze relaxation oscillations in models of lasers with nonlinear elements controlling light dynamics. The models are based on rate equations taking into account periodic modulation of parameters, optoelectronic delayed feedback, mutual coupling between lasers, intermodal interaction and other factors. With the aim to study relaxation oscillations we present the special asymptotic method of integration for ordinary differential equations and differential-difference equations. As a result, they are reduced to discrete maps. Analyzing the maps we describe analytically such nonlinear phenomena in lasers as multistability of large-amplitude relaxation cycles, bifurcations of cycles, controlled switching of regimes, phase synchronization in an ensemble of coupled systems and others. The book can be fruitful for students and technicians in nonlinear laser dynamics and in differential equations.

  4. Stress relaxation in viscous soft spheres.

    Science.gov (United States)

    Boschan, Julia; Vasudevan, Siddarth A; Boukany, Pouyan E; Somfai, Ellák; Tighe, Brian P

    2017-10-04

    We report the results of molecular dynamics simulations of stress relaxation tests in athermal viscous soft sphere packings close to their unjamming transition. By systematically and simultaneously varying both the amplitude of the applied strain step and the pressure of the initial condition, we access both linear and nonlinear response regimes and control the distance to jamming. Stress relaxation in viscoelastic solids is characterized by a relaxation time τ* that separates short time scales, where viscous loss is substantial, from long time scales, where elastic storage dominates and the response is essentially quasistatic. We identify two distinct plateaus in the strain dependence of the relaxation time, one each in the linear and nonlinear regimes. The height of both plateaus scales as an inverse power law with the distance to jamming. By probing the time evolution of particle velocities during relaxation, we further identify a correlation between mechanical relaxation in the bulk and the degree of non-affinity in the particle velocities on the micro scale.

  5. Dynamics of pollutant discharge in combined sewer systems during rain events: chance or determinism?

    Science.gov (United States)

    Hannouche, A; Chebbo, G; Joannis, C

    2014-01-01

    A large database of continuous flow and turbidity measurements cumulating data on hundreds of rain events and dry weather days from two sites in Paris (called Quais and Clichy) and one in Lyon (called Ecully) is presented. This database is used to characterize and compare the behaviour of the three sites at the inter-events scale. The analysis is probed through three various variables: total volumes and total suspended solids (TSS) masses and concentrations during both wet and dry weather periods in addition to the contributions of diverse-origin sources to event flow volume and TSS load values. The results obtained confirm the previous findings regarding the spatial consistency of TSS fluxes and concentrations between both sites in Paris having similar land uses. Moreover, masses and concentrations are proven to be correlated between Parisian sites in a way that implies the possibility of some deterministic processes being reproducible from one catchment to another for a particular rain event. The results also demonstrate the importance of the contribution of wastewater and sewer deposits to the total events' loads and show that such contributions are not specific to Paris sewer networks.

  6. Liquidity dynamics in an electronic open limit order book: An event study approach

    OpenAIRE

    Gomber, Peter; Schweickert, Uwe; Theissen, Erik

    2011-01-01

    We analyze the dynamics of liquidity in Xetra, an electronic open limit order book. We use the Exchange Liquidity Measure (XLM), a measure of the cost of a roundtrip trade of given size V. This measure captures the price and the quantity dimension of liquidity. We present descriptive statistics, analyze the cross-sectional determinants of the XLM measure and document its intraday pattern. Our main contribution is an analysis of the dynamics of the XLM measure around liquidity shocks. We use i...

  7. Dynamic sensing model for accurate delectability of environmental phenomena using event wireless sensor network

    Science.gov (United States)

    Missif, Lial Raja; Kadhum, Mohammad M.

    2017-09-01

    Wireless Sensor Network (WSN) has been widely used for monitoring where sensors are deployed to operate independently to sense abnormal phenomena. Most of the proposed environmental monitoring systems are designed based on a predetermined sensing range which does not reflect the sensor reliability, event characteristics, and the environment conditions. Measuring of the capability of a sensor node to accurately detect an event within a sensing field is of great important for monitoring applications. This paper presents an efficient mechanism for even detection based on probabilistic sensing model. Different models have been presented theoretically in this paper to examine their adaptability and applicability to the real environment applications. The numerical results of the experimental evaluation have showed that the probabilistic sensing model provides accurate observation and delectability of an event, and it can be utilized for different environment scenarios.

  8. Rising Tides or Rising Stars?: Dynamics of Shared Attention on Twitter during Media Events

    Science.gov (United States)

    Lin, Yu-Ru; Keegan, Brian; Margolin, Drew; Lazer, David

    2014-01-01

    “Media events” generate conditions of shared attention as many users simultaneously tune in with the dual screens of broadcast and social media to view and participate. We examine how collective patterns of user behavior under conditions of shared attention are distinct from other “bursts” of activity like breaking news events. Using 290 million tweets from a panel of 193,532 politically active Twitter users, we compare features of their behavior during eight major events during the 2012 U.S. presidential election to examine how patterns of social media use change during these media events compared to “typical” time and whether these changes are attributable to shifts in the behavior of the population as a whole or shifts from particular segments such as elites. Compared to baseline time periods, our findings reveal that media events not only generate large volumes of tweets, but they are also associated with (1) substantial declines in interpersonal communication, (2) more highly concentrated attention by replying to and retweeting particular users, and (3) elite users predominantly benefiting from this attention. These findings empirically demonstrate how bursts of activity on Twitter during media events significantly alter underlying social processes of interpersonal communication and social interaction. Because the behavior of large populations within socio-technical systems can change so dramatically, our findings suggest the need for further research about how social media responses to media events can be used to support collective sensemaking, to promote informed deliberation, and to remain resilient in the face of misinformation. PMID:24854030

  9. A Numerical Investigation of Vapor Intrusion — the Dynamic Response of Contaminant Vapors to Rainfall Events

    Science.gov (United States)

    Shen, Rui; Pennell, Kelly G.; Suuberg, Eric M.

    2013-01-01

    The U.S. government and various agencies have published guidelines for field investigation of vapor intrusion, most of which suggest soil gas sampling as an integral part of the investigation. Contaminant soil gas data are often relatively more stable than indoor air vapor concentration measurements, but meteorological conditions might influence soil gas values. Although a few field and numerical studies have considered some temporal effects on soil gas vapor transport, a full explanation of the contaminant vapor concentration response to rainfall events is not available. This manuscript seeks to demonstrate the effects on soil vapor transport during and after different rainfall events, by applying a coupled numerical model of fluid flow and vapor transport. Both a single rainfall event and seasonal rainfall events were modeled. For the single rainfall event models, the vapor response process could be divided into three steps: namely, infiltration, water redistribution, and establishment of a water lens atop the groundwater source. In the infiltration step, rainfall intensity was found to determine the speed of the wetting front and wash-out effect on the vapor. The passage of the wetting front led to an increase of the vapor concentration in both the infiltration and water redistribution steps and this effect is noted at soil probes located 1 m below the ground surface. When the mixing of groundwater with infiltrated water was not allowed, a clean water lens accumulated above the groundwater source and led to a capping effect which can reduce diffusion rates of contaminant from the source. Seasonal rainfall with short time intervals involved superposition of the individual rainfall events. This modeling results indicated that for relatively deeper soil that the infiltration wetting front could not flood, the effects were damped out in less than a month after rain; while in the long term (years), possible formation of a water lens played a larger role in

  10. Single-cell analysis of pyroptosis dynamics reveals conserved GSDMD-mediated subcellular events that precede plasma membrane rupture.

    Science.gov (United States)

    de Vasconcelos, Nathalia M; Van Opdenbosch, Nina; Van Gorp, Hanne; Parthoens, Eef; Lamkanfi, Mohamed

    2018-04-17

    Pyroptosis is rapidly emerging as a mechanism of anti-microbial host defense, and of extracellular release of the inflammasome-dependent cytokines interleukin (IL)-1β and IL-18, which contributes to autoinflammatory pathology. Caspases 1, 4, 5 and 11 trigger this regulated form of necrosis by cleaving the pyroptosis effector gasdermin D (GSDMD), causing its pore-forming amino-terminal domain to oligomerize and perforate the plasma membrane. However, the subcellular events that precede pyroptotic cell lysis are ill defined. In this study, we triggered primary macrophages to undergo pyroptosis from three inflammasome types and recorded their dynamics and morphology using high-resolution live-cell spinning disk confocal laser microscopy. Based on quantitative analysis of single-cell subcellular events, we propose a model of pyroptotic cell disintegration that is initiated by opening of GSDMD-dependent ion channels or pores that are more restrictive than recently proposed GSDMD pores, followed by osmotic cell swelling, commitment of mitochondria and other membrane-bound organelles prior to sudden rupture of the plasma membrane and full permeability to intracellular proteins. This study provides a dynamic framework for understanding cellular changes that occur during pyroptosis, and charts a chronological sequence of GSDMD-mediated subcellular events that define pyroptotic cell death at the single-cell level.

  11. Discrete-Event Simulation with Agents for Modeling of Dynamic Asymmetric Threats in Maritime Security

    National Research Council Canada - National Science Library

    Ng, Chee W

    2007-01-01

    .... Discrete-event simulation (DES) was used to simulate a typical port-security, local, waterside-threat response model and to test the adaptive response of asymmetric threats in reaction to port-security procedures, while a multi-agent system (MAS...

  12. Implications of interacting microscale habitat heterogeneity and disturbance events on Folsomia candida (Collembola) population dynamics

    DEFF Research Database (Denmark)

    Meli, Mattia; Palmqvist, Annemette; Forbes, Valery E

    2014-01-01

    human activities that may cause habitat destruction, we focused on agricultural practices. Soil organisms living in a cultivated field are subjected to habitat loss and fragmentation as well as disturbance events generated by the application of agrochemicals and related activities. In addition...

  13. On the dynamics of an extreme rainfall event in northern India in 2013

    Indian Academy of Sciences (India)

    Anu Xavier

    2018-03-08

    Mar 8, 2018 ... the cold air to move southward. During the event, as the cold air moved south, it pushed the mid-latitude westerlies south of its normal position during summer monsoon and created a ... gradient between southern Asia and the Indian. Ocean develops due to increased solar heating over the Indian land area ...

  14. Temporal Dynamics of Late Second Language Acquisition: Evidence from Event-Related Brain Potentials

    Science.gov (United States)

    Steinhauer, Karsten; White, Erin J.; Drury, John E.

    2009-01-01

    The ways in which age of acquisition (AoA) may affect (morpho)syntax in second language acquisition (SLA) are discussed. We suggest that event-related brain potentials (ERPs) provide an appropriate online measure to test some such effects. ERP findings of the past decade are reviewed with a focus on recent and ongoing research. It is concluded…

  15. Neural Temporal Dynamics of Social Exclusion Elicited by Averted Gaze: An Event-Related Potentials Study

    Directory of Open Access Journals (Sweden)

    Yue Leng

    2018-02-01

    Full Text Available Eye gaze plays a fundamental role in social communication. The averted eye gaze during social interaction, as the most common form of silent treatment, conveys a signal of social exclusion. In the present study, we examined the time course of brain response to social exclusion by using a modified version of Eye-gaze paradigm. The event-related potentials (ERPs data and the subjective rating data showed that the frontocentral P200 was positively correlated with negative mood of excluded events, whereas, the centroparietal late positive potential (LPP was positively correlated with the perceived ostracism intensity. Both the P200 and LPP were more positive-going for excluded events than for included events. These findings suggest that brain responses sensitive to social exclusion can be divided into the early affective processing stage, linking to the early pre-cognitive warning system; and the late higher-order processes stage, demanding attentional resources for elaborate stimuli evaluation and categorization generally not under specific situation.

  16. Muon spin relaxation in random spin systems

    International Nuclear Information System (INIS)

    Toshimitsu Yamazaki

    1981-01-01

    The longitudinal relaxation function Gsub(z)(t) of the positive muon can reflect dynamical characters of local field in a unique way even when the correlation time is longer than the Larmor period of local field. This method has been applied to studies of spin dynamics in spin glass systems, revealing sharp but continuous temperature dependence of the correlation time. Its principle and applications are reviewed. (author)

  17. Energetic electron injections and dipolarization events in Mercury's magnetotail: Substorm dynamics

    Science.gov (United States)

    Dewey, R. M.; Slavin, J. A.; Raines, J. M.; Imber, S.; Baker, D. N.; Lawrence, D. J.

    2017-12-01

    Despite its small size, Mercury's terrestrial-like magnetosphere experiences brief, yet intense, substorm intervals characterized by features similar to at Earth: loading/unloading of the tail lobes with open magnetic flux, dipolarization of the magnetic field at the inner edge of the plasma sheet, and, the focus of this presentation, energetic electron injection. We use the Gamma-Ray Spectrometer's high-time resolution (10 ms) energetic electron measurements to determine the relationship between substorm activity and energetic electron injections coincident with dipolarization fronts in the magnetotail. These dipolarizations were detected on the basis of their rapid ( 2 s) increase in the northward component of the tail magnetic field (ΔBz 30 nT), which typically persists for 10 s. We estimate the typical flow channel to be 0.15 RM, planetary convection speed of 750 km/s, cross-tail potential drop of 7 kV, and flux transport of 0.08 MWb for each dipolarization event, suggesting multiple simultaneous and sequential dipolarizations are required to unload the >1 MWb of magnetic flux typically returned to the dayside magnetosphere during a substorm interval. Indeed, while we observe most dipolarization-injections to be isolated or in small chains of events (i.e., 1-3 events), intervals of sawtooth-like injections with >20 sequential events are also present. The typical separation between dipolarization-injection events is 10 s. Magnetotail dipolarization, in addition to being a powerful source of electron acceleration, also plays a significant role in the substorm process at Mercury.

  18. Complex methyl groups dynamics in [(CH3)4P]3Sb2Br9 (PBA) from low to high temperatures by proton spin-lattice relaxation and narrowing of proton NMR spectrum.

    Science.gov (United States)

    Latanowicz, L; Medycki, W; Jakubas, R

    2009-11-01

    Molecular dynamics of a polycrystalline sample of [(CH(3))(4)P](3)Sb(2)Br(9) (PBA) has been studied on the basis of the T(1) (24.7 MHz) relaxation time measurement, the proton second moment of NMR and the earlier published T(1) (90 MHz) relaxation times. The study was performed in a wide range of temperatures (30-337 K). The tunnel splitting omega(T) of the methyl groups was estimated as of low frequency (from kHz to few MHz). The proton spin pairs of the methyl group are known to perform a complex internal motion being a resultant of four components. Three of them involve mass transportation over and through the potential barrier and are characterized by the correlation times tau(3) and tau(T)of the jumps over the barrier and tunnel jumps in the threefold potential of the methyl group and tau(iso) the correlation time of isotropic rotation of the whole TMP cation. For tau(3) and tau(iso) the Arrhenius temperature dependence was assumed, while for tau(T)--the Schrödinger one. The fourth motion causes fluctuations of the tunnel splitting frequency, omega(T), and it is related to the lifetime of the methyl spin at the energy level. The correlation function for this fourth motion (tau(omega) correlation time) has been proposed by Müller-Warmuth et al. In this paper a formula for the correlation function and spectral density of the complex motion made of the above-mentioned four components was derived and used in interpretation of the T(1) relaxation time. The second moment of proton NMR line at temperatures below 50K is four times lower than its value for the rigid structure. The three components of the internal motion characterized by tau(T), tau(H), and tau(iso) were proved to reduce the second moment of the NMR line. The tunnel jumps of the methyl group reduce M(2) at almost 0K, the classical jumps over the barrier reduce M(2) in the vicinity of 50K, while the isotropic motion near 150K. Results of the study on the dynamics of CH(3) groups of TMP cation based on

  19. Application of the Integrated Safety Assessment methodology to safety margins. Dynamic Event Trees, Damage Domains and Risk Assessment

    International Nuclear Information System (INIS)

    Ibánez, L.; Hortal, J.; Queral, C.; Gómez-Magán, J.; Sánchez-Perea, M.; Fernández, I.; Meléndez, E.; Expósito, A.; Izquierdo, J.M.; Gil, J.; Marrao, H.; Villalba-Jabonero, E.

    2016-01-01

    The Integrated Safety Assessment (ISA) methodology, developed by the Consejo de Seguridad Nuclear, has been applied to an analysis of Zion NPP for sequences with Loss of the Component Cooling Water System (CCWS). The ISA methodology proposal starts from the unfolding of the Dynamic Event Tree (DET). Results from this first step allow assessing the sequence delineation of standard Probabilistic Safety Analysis results. For some sequences of interest of the outlined DET, ISA then identifies the Damage Domain (DD). This is the region of uncertain times and/or parameters where a safety limit is exceeded, which indicates the occurrence of certain damage situation. This paper illustrates application of this concept obtained simulating sequences with MAAP and with TRACE. From information of simulation results of sequence transients belonging to the DD and the time-density probability distributions of the manual actions and of occurrence of stochastic phenomena, ISA integrates the dynamic reliability equations proposed to obtain the sequence contribution to the global Damage Exceedance Frequency (DEF). Reported results show a slight increase in the DEF for sequences investigated following a power uprate from 100% to 110%. This demonstrates the potential use of the method to help in the assessment of design modifications. - Highlights: • This paper illustrates an application of the ISA methodology to safety margins. • Dynamic Event Trees are useful tool for verifying the standard PSA Event Trees. • The ISA methodology takes into account the uncertainties in human action times. • The ISA methodology shows the Damage Exceedance Frequency increase in power uprates.

  20. Multi-Quanta Spin-Locking Nuclear Magnetic Resonance Relaxation Measurements: An Analysis of the Long-Time Dynamical Properties of Ions and Water Molecules Confined within Dense Clay Sediments

    Directory of Open Access Journals (Sweden)

    Patrice Porion

    2017-11-01

    Full Text Available Solid/liquid interfaces are exploited in various industrial applications because confinement strongly modifies the physico-chemical properties of bulk fluids. In that context, investigating the dynamical properties of confined fluids is crucial to identify and better understand the key factors responsible for their behavior and to optimize their structural and dynamical properties. For that purpose, we have developed multi-quanta spin-locking nuclear magnetic resonance relaxometry of quadrupolar nuclei in order to fill the gap between the time-scales accessible by classical procedures (like dielectric relaxation, inelastic and quasi-elastic neutron scattering and obtain otherwise unattainable dynamical information. This work focuses on the use of quadrupolar nuclei (like 2H, 7Li and 133Cs, because quadrupolar isotopes are the most abundant NMR probes in the periodic table. Clay sediments are the confining media selected for this study because they are ubiquitous materials implied in numerous industrial applications (ionic exchange, pollutant absorption, drilling, waste storing, cracking and heterogeneous catalysis.

  1. Anomalous relaxation and self-organization in nonequilibrium processes

    International Nuclear Information System (INIS)

    Fatkullin, Ibrahim; Kladko, Konstantin; Mitkov, Igor; Bishop, A. R.

    2001-01-01

    We study thermal relaxation in ordered arrays of coupled nonlinear elements with external driving. We find that our model exhibits dynamic self-organization manifested in a universal stretched-exponential form of relaxation. We identify two types of self-organization, cooperative and anticooperative, which lead to fast and slow relaxation, respectively. We give a qualitative explanation for the behavior of the stretched exponent in different parameter ranges. We emphasize that this is a system exhibiting stretched-exponential relaxation without explicit disorder or frustration

  2. A numerical investigation of vapor intrusion--the dynamic response of contaminant vapors to rainfall events.

    Science.gov (United States)

    Shen, Rui; Pennell, Kelly G; Suuberg, Eric M

    2012-10-15

    The U.S. government and various agencies have published guidelines for field investigation of vapor intrusion, most of which suggest soil gas sampling as an integral part of the investigation. Contaminant soil gas data are often relatively more stable than indoor air vapor concentration measurements, but meteorological conditions might influence soil gas values. Although a few field and numerical studies have considered some temporal effects on soil gas vapor transport, a full explanation of the contaminant vapor concentration response to rainfall events is not available. This manuscript seeks to demonstrate the effects on soil vapor transport during and after different rainfall events, by applying a coupled numerical model of fluid flow and vapor transport. Both a single rainfall event and seasonal rainfall events were modeled. For the single rainfall event models, the vapor response process could be divided into three steps: namely, infiltration, water redistribution, and establishment of a water lens atop the groundwater source. In the infiltration step, rainfall intensity was found to determine the speed of the wetting front and wash-out effect on the vapor. The passage of the wetting front led to an increase of the vapor concentration in both the infiltration and water redistribution steps and this effect is noted at soil probes located 1m below the ground surface. When the mixing of groundwater with infiltrated water was not allowed, a clean water lens accumulated above the groundwater source and led to a capping effect which can reduce diffusion rates of contaminant from the source. Seasonal rainfall with short time intervals involved superposition of the individual rainfall events. This modeling results indicated that for relatively deeper soil that the infiltration wetting front could not flood, the effects were damped out in less than a month after rain; while in the long term (years), possible formation of a water lens played a larger role in determining

  3. Event Modeling

    DEFF Research Database (Denmark)

    Bækgaard, Lars

    2001-01-01

    The purpose of this chapter is to discuss conceptual event modeling within a context of information modeling. Traditionally, information modeling has been concerned with the modeling of a universe of discourse in terms of information structures. However, most interesting universes of discourse...... are dynamic and we present a modeling approach that can be used to model such dynamics.We characterize events as both information objects and change agents (Bækgaard 1997). When viewed as information objects events are phenomena that can be observed and described. For example, borrow events in a library can...

  4. Temporal changes in vegetation of a virgin beech woodland remnant: stand-scale stability with intensive fine-scale dynamics governed by stand dynamic events

    Directory of Open Access Journals (Sweden)

    Tibor Standovár

    2017-03-01

    Full Text Available The aim of this resurvey study is to check if herbaceous vegetation on the forest floor exhibits overall stability at the stand-scale in spite of intensive dynamics at the scale of individual plots and stand dynamic events (driven by natural fine scale canopy gap dynamics. In 1996, we sampled a 1.5 ha patch using 0.25 m² plots placed along a 5 m × 5 m grid in the best remnant of central European montane beech woods in Hungary. All species in the herbaceous layer and their cover estimates were recorded. Five patches representing different stand developmental situations (SDS were selected for resurvey. In 2013, 306 plots were resurveyed by using blocks of four 0.25 m² plots to test the effects of imperfect relocation. We found very intensive fine-scale dynamics in the herbaceous layer with high species turnover and sharp changes in ground layer cover at the local-scale (< 1 m2. A decrease in species richness and herbaceous layer cover, as well as high species turnover, characterized the closing gaps. Colonization events and increasing species richness and herbaceous layer cover prevailed in the two newly created gaps. A pronounced decrease in the total cover, but low species turnover and survival of the majority of the closed forest specialists was detected by the resurvey at the stand-scale. The test aiming at assessing the effect of relocation showed a higher time effect than the effect of imprecise relocation. The very intensive fine-scale dynamics of the studied beech forest are profoundly determined by natural stand dynamics. Extinction and colonisation episodes even out at the stand-scale, implying an overall compositional stability of the herbaceous vegetation at the given spatial and temporal scale. We argue that fine-scale gap dynamics, driven by natural processes or applied as a management method, can warrant the survival of many closed forest specialist species in the long-run. Nomenclature: Flora Europaea (Tutin et al. 2010 for

  5. Study of metal/ZnO based thin film ultraviolet photodetectors: The effect of induced charges on the dynamics of photoconductivity relaxation

    International Nuclear Information System (INIS)

    Yadav, Harish Kumar; Sreenivas, K.; Gupta, Vinay

    2010-01-01

    Ultraviolet photoconductivity relaxation in ZnO thin films deposited by rf magnetron sputtering are investigated. Effect of oxygen partial pressure in the reactive gas mixture and film thickness on the photoconductivity transients is studied. A different photodetector configuration comprising ZnO thin film with an ultrathin overlayer of metals like Cu, Al, Sn, Au, Cr, and Te was designed and tested. Photoresponse signal were found to be stronger (four to seven times) in these configurations than the pure ZnO thin films. Sn(30 nm)/ZnO sample exhibits highest responsivity of ∼8.57 kV/W whereas Te(20 nm)/ZnO structure presents highest sensitivity of ∼31.3x10 3 compared to unloaded ZnO thin film. Enhancement in the photoresponse of ZnO thin films is attributed to the change in surface conductivity due to induced charge carriers at the interface because of the difference in work function and oxygen affinity values of metal overlayer with the underlying semiconducting layer. Charge carrier transfer from the metal layer to ZnO creates a surplus of electrons at the interface; a fraction of which are captured by the defect centers (traps) at the surface whereas the remaining one represents free carriers in the conduction band and are responsible for the enhanced photoconductivity.

  6. Study of metal/ZnO based thin film ultraviolet photodetectors: The effect of induced charges on the dynamics of photoconductivity relaxation

    Science.gov (United States)

    Yadav, Harish Kumar; Sreenivas, K.; Gupta, Vinay

    2010-02-01

    Ultraviolet photoconductivity relaxation in ZnO thin films deposited by rf magnetron sputtering are investigated. Effect of oxygen partial pressure in the reactive gas mixture and film thickness on the photoconductivity transients is studied. A different photodetector configuration comprising ZnO thin film with an ultrathin overlayer of metals like Cu, Al, Sn, Au, Cr, and Te was designed and tested. Photoresponse signal were found to be stronger (four to seven times) in these configurations than the pure ZnO thin films. Sn(30 nm)/ZnO sample exhibits highest responsivity of ˜8.57 kV/W whereas Te(20 nm)/ZnO structure presents highest sensitivity of ˜31.3×103 compared to unloaded ZnO thin film. Enhancement in the photoresponse of ZnO thin films is attributed to the change in surface conductivity due to induced charge carriers at the interface because of the difference in work function and oxygen affinity values of metal overlayer with the underlying semiconducting layer. Charge carrier transfer from the metal layer to ZnO creates a surplus of electrons at the interface; a fraction of which are captured by the defect centers (traps) at the surface whereas the remaining one represents free carriers in the conduction band and are responsible for the enhanced photoconductivity.

  7. LHC@Home: A Volunteer computing system for Massive Numerical Simulations of Beam Dynamics and High Energy Physics Events

    CERN Document Server

    Giovannozzi, M; Høimyr, N; Jones, PL; Karneyeu, A; Marquina, MA; McIntosh, E; Segal, B; Skands, P; Grey, F; Lombraña González, D; Rivkin, L; Zacharov, I

    2012-01-01

    Recently, the LHC@home system has been revived at CERN. It is a volunteer computing system based on BOINC which boosts the available CPU-power in institutional computer centres with the help of individuals that donate the CPU-time of their PCs. Currently two projects are hosted on the system, namely SixTrack and Test4Theory. The first is aimed at performing beam dynamics simulations, while the latter deals with the simulation of high-energy events. In this paper the details of the global system, as well a discussion of the capabilities of each project will be presented.

  8. Geostationary Coastal Ecosystem Dynamics Imager (GEO CEDI) for the GEO Coastal and Air Pollution Events (GEO CAPE) Mission. Concept Presentation

    Science.gov (United States)

    Janz, Scott; Smith, James C.; Mannino, Antonio

    2010-01-01

    This slide presentation reviews the concepts of the Geostationary Coastal Ecosystem Dynamics Imager (GEO CEDI) which will be used on the GEO Coastal and Air Pollution Events (GEO CAPE) Mission. The primary science requirements require scans of the U.S. Coastal waters 3 times per day during the daylight hours. Included in the overview are presentations about the systems, the optics, the detectors, the mechanical systems, the electromechanical systems, the electrical design, the flight software, the thermal systems, and the contamination prevention requirements.

  9. Modelling of dynamic and quasistatic events with special focus on wood-drying distortions

    OpenAIRE

    Ekevad, Mats

    2006-01-01

    This thesis deals mainly with computer simulations of wood-drying distortions, especially twist. The reason for this is that such distortions often appear in dried timber, and the results are quality downgrades and thus value losses in the wood value chain. A computer simulation is a way to theoretically simulate what happens in reality when moisture content in timber changes. If the computer simulation model is appropriate and capable of realistic simulations of real events, then it is possi...

  10. Muon spin relaxation in ferromagnets. Pt. 1

    International Nuclear Information System (INIS)

    Lovesey, S.W.; Karlsson, E.B.

    1991-04-01

    Expressions for the dipolar and hyperfine contributions to the relaxation rate of muons implanted in a ferromagnet are presented and analysed using the Heisenberg model of spin-waves including dipolar and Zeeman energies. Calculations for EuO indicate that relaxation is likely to be dominated by the hyperfine mechanism, even if the ratio of the hyperfine and dipolar coupling constants is small. The hyperfine mechanism is sensitive to the dipolar energy of the atomic spins, whereas the dipolar mechanisms depend essentially on the exchange energy. For both mechanisms there is an almost quadratic dependence on temperature, throughout much of the ordered magnetic phase, which reflects two-spin-wave difference events from the Raman-type relaxation processes. (author)

  11. Downeast Drainage - Examining and Communicating the Dynamics of Bacteria Pollution Events in the Gulf of Maine

    Science.gov (United States)

    Smith, S. M.; Brady, D. C.; Cole, K. L.; Jones, S.; McGreavy, B.; Petersen, C.; Rothenheber, D.; Gerard, B.; Roy, S. G.

    2015-12-01

    The New England Sustainability Consortium is an interdisciplinary NSF EPSCoR funded project organized to strengthen the connections between science and decision-making and to advance the practice of sustainability science. The project uses complementary research capacity at several institutions to examine watershed and estuarine processes linked to bacteria pollution affecting shellfish harvesting and beach water quality in the Gulf of Maine. A fundamental research target is the development of a better approach for the prediction of coastal bacteria pollution events that can cause losses in tourism and shellfishery revenue. Enhanced prediction and communication of the events require a simultaneous examination of watershed pollution sources, drainage systems, estuarine residence times and bacterial survival. Our presentation will summarize initial observations from our investigations and stakeholder engagement activities at two project reference sites located in Wells and Bar Harbor, Maine. These will include field measurements, watershed and estuarine modeling outcomes, and stakeholder engagement results that are framed to quantify and explain land-sea interactions linked to bacterial pollution events in locations with varied relief, hydrodynamics, and stakeholder communities.

  12. Complex dynamics induced by strong confinement - From tracer diffusion in strongly heterogeneous media to glassy relaxation of dense fluids in narrow slits

    Science.gov (United States)

    Mandal, Suvendu; Spanner-Denzer, Markus; Leitmann, Sebastian; Franosch, Thomas

    2017-08-01

    We provide an overview of recent advances of the complex dynamics of particles in strong confinements. The first paradigm is the Lorentz model where tracers explore a quenched disordered host structure. Such systems naturally occur as limiting cases of binary glass-forming systems if the dynamics of one component is much faster than the other. For a certain critical density of the host structure the tracers undergo a localization transition which constitutes a critical phenomenon. A series of predictions in the vicinity of the transition have been elaborated and tested versus computer simulations. Analytical progress is achieved for small obstacle densities. The second paradigm is a dense strongly interacting liquid confined to a narrow slab. Then the glass transition depends nonmonotonically on the separation of the plates due to an interplay of local packing and layering. Very small slab widths allow to address certain features of the statics and dynamics analytically.

  13. Robust handling of dynamics and multiple failures in a diagnostic event analyzer

    International Nuclear Information System (INIS)

    Finch, F.E.; Kramer, M.A.

    1991-01-01

    MIDAS diagnoses malfunctions in continuous chemical and refinery processes using a plant-independent strategy based on qualitative and quantitative process models. MIDAS specifically addresses problems not treated in past systems, including: process dynamics with control system responses, multiple faults and induced failures, and out-of-order and false alarms. This paper discusses both the structure of the process models and the diagnostic reasoning strategies employed by MIDAS

  14. GMLC Extreme Event Modeling -- Slow-Dynamics Models for Renewable Energy Resources

    Energy Technology Data Exchange (ETDEWEB)

    Korkali, M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Min, L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-03-30

    The need for slow dynamics models of renewable resources in cascade modeling essentially arises from the challenges associated with the increased use of solar and wind electric power. Indeed, the main challenge is that the power produced by wind and sunlight is not consistent; thus, renewable energy resources tend to have variable output power on many different timescales, including the timescales that a cascade unfolds.

  15. Relaxed Binaural LCMV Beamforming

    NARCIS (Netherlands)

    Koutrouvelis, A.; Hendriks, R.C.; Heusdens, R.; Jensen, Jesper Rindom

    2017-01-01

    In this paper, we propose a new binaural beamforming technique, which can be seen as a relaxation of the linearly constrained minimum variance (LCMV) framework. The proposed method can achieve simultaneous noise reduction and exact binaural cue preservation of the target source, similar to the

  16. Acquired relaxation of the right half of the diaphragm

    International Nuclear Information System (INIS)

    Tolmachev, V.V.; Romadanov, A.A.

    1997-01-01

    Case is described of the development of complete relaxation of the right half of diaphragm following inflammatory respiratory disease accompanied by infections neuritis involving right phrenic nerve. Results of biomedical radiography and computerized tomography in dynamics are presented

  17. A thermostatted kinetic theory model for event-driven pedestrian dynamics

    Science.gov (United States)

    Bianca, Carlo; Mogno, Caterina

    2018-06-01

    This paper is devoted to the modeling of the pedestrian dynamics by means of the thermostatted kinetic theory. Specifically the microscopic interactions among pedestrians and an external force field are modeled for simulating the evacuation of pedestrians from a metro station. The fundamentals of the stochastic game theory and the thermostatted kinetic theory are coupled for the derivation of a specific mathematical model which depicts the time evolution of the distribution of pedestrians at different exits of a metro station. The perturbation theory is employed in order to establish the stability analysis of the nonequilibrium stationary states in the case of a metro station consisting of two exits. A general sensitivity analysis on the initial conditions, the magnitude of the external force field and the number of exits is presented by means of numerical simulations which, in particular, show how the asymptotic distribution and the convergence time are affected by the presence of an external force field. The results show how, in evacuation conditions, the interaction dynamics among pedestrians can be negligible with respect to the external force. The important role of the thermostat term in allowing the reaching of the nonequilibrium stationary state is stressed out. Research perspectives are underlined at the end of paper, in particular for what concerns the derivation of frameworks that take into account the definition of local external actions and the introduction of the space and velocity dynamics.

  18. Relaxation Dynamics of Pseudomonas aeruginosa ReI(CO)3(.alpha.-diimine)(HisX)+ (X = 83, 107, 109, 124, 126)CuII Azurins

    Czech Academy of Sciences Publication Activity Database

    Blanco-Rodríguez, A. M.; Busby, M.; Ronayne, K. L.; Towrie, M.; Grädinaru, C.; Sudhamsu, J.; Sýkora, Jan; Hof, Martin; Záliš, Stanislav; Di Billio, A. J.; Crane, B. R.; Gray, H. B.; Vlček, Antonín

    2009-01-01

    Roč. 131, č. 33 (2009), s. 11788-11800 ISSN 0002-7863 R&D Projects: GA MŠk OC09043; GA MŠk(CZ) LC06063 Institutional research plan: CEZ:AV0Z40400503 Keywords : resolved infrared spectroscopy * excited-state dynamics * electron transfer Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 8.580, year: 2009

  19. Relaxation of the magnetization in magnetic molecules

    Science.gov (United States)

    Carretta, S.; Bianchi, A.; Liviotti, E.; Santini, P.; Amoretti, G.

    2006-04-01

    Several mechanisms characterize the relaxation dynamics in magnetic molecules. We investigate two of them, spin-lattice coupling and incoherent quantum tunneling. The effect of the phonon heat bath is studied by analyzing the exponential time decay of the autocorrelation of the magnetization. We show that in ferromagnetic (Cu6) and antiferromagnetic (Fe6) molecular rings this decay is characterized by a single characteristic time. At very low temperature, relaxation through incoherent quantum tunneling may occur in nanomagnets such as Fe8 or Ni4. The mixing between levels with different values of the total spin (S mixing) greatly influences this mechanism. In particular, we demonstrate that a fourth-order anisotropy term O44, required to interpret experimental electron paramagnetic resonance and relaxation data in Ni4, naturally arises when S mixing is considered in calculations.

  20. Relaxation and Diffusion in Complex Systems

    CERN Document Server

    Ngai, K L

    2011-01-01

    Relaxation and Diffusion in Complex Systems comprehensively presents a variety of experimental evidences of universal relaxation and diffusion properties in complex materials and systems. The materials discussed include liquids, glasses, colloids, polymers, rubbers, plastic crystals and aqueous mixtures, as well as carbohydrates, biomolecules, bioprotectants and pharmaceuticals. Due to the abundance of experimental data, emphasis is placed on glass-formers and the glass transition problem, a still unsolved problem in condensed matter physics and chemistry. The evidence for universal properties of relaxation and diffusion dynamics suggests that a fundamental physical law is at work. The origin of the universal properties is traced to the many-body effects of the interaction, rigorous theory of which does not exist at the present time. However, using solutions of simplified models as guides, key quantities have been identified and predictions of the universal properties generated. These predictions from Ngai’...

  1. Active nematic gels as active relaxing solids

    Science.gov (United States)

    Turzi, Stefano S.

    2017-11-01

    I propose a continuum theory for active nematic gels, defined as fluids or suspensions of orientable rodlike objects endowed with active dynamics, that is based on symmetry arguments and compatibility with thermodynamics. The starting point is our recent theory that models (passive) nematic liquid crystals as relaxing nematic elastomers. The interplay between viscoelastic response and active dynamics of the microscopic constituents is naturally taken into account. By contrast with standard theories, activity is not introduced as an additional term of the stress tensor, but it is added as an external remodeling force that competes with the passive relaxation dynamics and drags the system out of equilibrium. In a simple one-dimensional channel geometry, we show that the interaction between nonuniform nematic order and activity results in either a spontaneous flow of particles or a self-organization into subchannels flowing in opposite directions.

  2. Dynamical Behavior of a Rumor Transmission Model with Psychological Effect in Emergency Event

    Directory of Open Access Journals (Sweden)

    Liang'an Huo

    2013-01-01

    Full Text Available A rumor transmission model with nonmonotonic incidence rate was proposed, which provides excellent explanations of the “psychological” effect with rumor spreading in emergency event. By carrying out a global analysis of the model and studying the stability of the rumor-free equilibrium and the rumor-endemic equilibrium, we showed that either the number of infective individuals tends to zero as time evolves or the rumor persists. Finally, recommendations for policy makers and consulting advice for related commissions are explored in the case study of crazy rumors propagated for the iodized sail shortage panic in China.

  3. Event timing in associative learning: from biochemical reaction dynamics to behavioural observations.

    Directory of Open Access Journals (Sweden)

    Ayse Yarali

    Full Text Available Associative learning relies on event timing. Fruit flies for example, once trained with an odour that precedes electric shock, subsequently avoid this odour (punishment learning; if, on the other hand the odour follows the shock during training, it is approached later on (relief learning. During training, an odour-induced Ca(++ signal and a shock-induced dopaminergic signal converge in the Kenyon cells, synergistically activating a Ca(++-calmodulin-sensitive adenylate cyclase, which likely leads to the synaptic plasticity underlying the conditioned avoidance of the odour. In Aplysia, the effect of serotonin on the corresponding adenylate cyclase is bi-directionally modulated by Ca(++, depending on the relative timing of the two inputs. Using a computational approach, we quantitatively explore this biochemical property of the adenylate cyclase and show that it can generate the effect of event timing on associative learning. We overcome the shortage of behavioural data in Aplysia and biochemical data in Drosophila by combining findings from both systems.

  4. Large-scale weather dynamics during the 2015 haze event in Singapore

    Science.gov (United States)

    Djamil, Yudha; Lee, Wen-Chien; Tien Dat, Pham; Kuwata, Mikinori

    2017-04-01

    The 2015 haze event in South East Asia is widely considered as a period of the worst air quality in the region in more than a decade. The source of the haze was from forest and peatland fire in Sumatra and Kalimantan Islands, Indonesia. The fires were mostly came from the practice of forest clearance known as slash and burn, to be converted to palm oil plantation. Such practice of clearance although occurs seasonally but at 2015 it became worst by the impact of strong El Nino. The long period of dryer atmosphere over the region due to El Nino makes the fire easier to ignite, spread and difficult to stop. The biomass emission from the forest and peatland fire caused large-scale haze pollution problem in both Islands and further spread into the neighboring countries such as Singapore and Malaysia. In Singapore, for about two months (September-October, 2015) the air quality was in the unhealthy level. Such unfortunate condition caused some socioeconomic losses such as school closure, cancellation of outdoor events, health issues and many more with total losses estimated as S700 million. The unhealthy level of Singapore's air quality is based on the increasing pollutant standard index (PSI>120) due to the haze arrival, it even reached a hazardous level (PSI= 300) for several days. PSI is a metric of air quality in Singapore that aggregate six pollutants (SO2, PM10, PM2.5, NO2, CO and O3). In this study, we focused on PSI variability in weekly-biweekly time scales (periodicity < 30 days) since it is the least understood compare to their diurnal and seasonal scales. We have identified three dominant time scales of PSI ( 5, 10 and 20 days) using Wavelet method and investigated their large-scale atmospheric structures. The PSI associated large-scale column moisture horizontal structures over the Indo-Pacific basin are dominated by easterly propagating gyres in synoptic (macro) scale for the 5 days ( 10 and 20 days) time scales. The propagating gyres manifest as cyclical

  5. Post-learning hippocampal dynamics promote preferential retention of rewarding events

    Science.gov (United States)

    Gruber, Matthias J.; Ritchey, Maureen; Wang, Shao-Fang; Doss, Manoj K.; Ranganath, Charan

    2016-01-01

    Reward motivation is known to modulate memory encoding, and this effect depends on interactions between the substantia nigra/ ventral tegmental area complex (SN/VTA) and the hippocampus. It is unknown, however, whether these interactions influence offline neural activity in the human brain that is thought to promote memory consolidation. Here, we used functional magnetic resonance imaging (fMRI) to test the effect of reward motivation on post-learning neural dynamics and subsequent memory for objects that were learned in high- or low-reward motivation contexts. We found that post-learning increases in resting-state functional connectivity between the SN/VTA and hippocampus predicted preferential retention of objects that were learned in high-reward contexts. In addition, multivariate pattern classification revealed that hippocampal representations of high-reward contexts were preferentially reactivated during post-learning rest, and the number of hippocampal reactivations was predictive of preferential retention of items learned in high-reward contexts. These findings indicate that reward motivation alters offline post-learning dynamics between the SN/VTA and hippocampus, providing novel evidence for a potential mechanism by which reward could influence memory consolidation. PMID:26875624

  6. Event-Based Color Segmentation With a High Dynamic Range Sensor

    Directory of Open Access Journals (Sweden)

    Alexandre Marcireau

    2018-04-01

    Full Text Available This paper introduces a color asynchronous neuromorphic event-based camera and a methodology to process color output from the device to perform color segmentation and tracking at the native temporal resolution of the sensor (down to one microsecond. Our color vision sensor prototype is a combination of three Asynchronous Time-based Image Sensors, sensitive to absolute color information. We devise a color processing algorithm leveraging this information. It is designed to be computationally cheap, thus showing how low level processing benefits from asynchronous acquisition and high temporal resolution data. The resulting color segmentation and tracking performance is assessed both with an indoor controlled scene and two outdoor uncontrolled scenes. The tracking's mean error to the ground truth for the objects of the outdoor scenes ranges from two to twenty pixels.

  7. Hair Dye and Hair Relaxers

    Science.gov (United States)

    ... For Consumers Consumer Information by Audience For Women Hair Dye and Hair Relaxers Share Tweet Linkedin Pin it More sharing ... products. If you have a bad reaction to hair dyes and relaxers, you should: Stop using the ...

  8. Channel Geometry and Flood Flows: Quantifying over-bank flow dynamics during high-flow events in North Carolina's floodplains

    Science.gov (United States)

    Lovette, J. P.; Duncan, J. M.; Vimal, S.; Band, L. E.

    2015-12-01

    Natural riparian areas play numerous roles in the maintenance and improvement of stream water quality. Both restoration of riparian areas and improvement of hydrologic connectivity to the stream are often key goals of river restoration projects. These management actions are designed to improve nutrient removal by slowing and treating overland flow delivered from uplands and by storing, treating, and slowly releasing streamwater from overbank inundation during flood events. A major question is how effective this storage of overbank flow is at treating streamwater based on the cumulative time stream discharge at a downstream location has spent in shallower, slower overbank flow. The North Carolina Floodplain Mapping Program maintains a detailed statewide Flood Risk Information System (FRIS) using HEC-RAS modeling, lidar, and detailed surveyed river cross-sections. FRIS provides extensive information regarding channel geometry on approximately 39,000 stream reaches (a slightly coarser spatial resolution than the NHD+v2 dataset) with tens of cross-sections for each reach. We use this FRIS data to calculate volume and discharge from floodplain riparian areas separately from in-channel flow during overbank events. Preliminary results suggest that a small percentage of total annual discharge interacts with the full floodplain extent along a stream reach due to the infrequency of overbank flow events. However, with the significantly different physical characteristics of the riparian area when compared to the channel itself, this overbank flow can provide unique services to water quality. Our project aims to use this information in conjunction with data from the USGS SPARROW program to target non-point source hotspots of Nitrogen and Phosphorus addition and removal. By better understanding the flow dynamics within riparian areas during high flow events, riparian restoration projects can be carried out with improved efficacy.

  9. Changing Sediment Dynamics of a Mature Backbarrier Salt Marsh in Response to Sea-Level Rise and Storm Events

    Directory of Open Access Journals (Sweden)

    Mark Schuerch

    2018-05-01

    Full Text Available Our study analyses the long-term development of a tidal backbarrier salt marsh in the northern German Wadden Sea. The focus lies on the development of the high-lying, inner, mature part of the salt marsh, which shows a striking history of changing sediment dynamics. The analysis of high-resolution old aerial photographs and sampled sediment cores suggests that the mature part of the marsh was shielded by a sand barrier from the open sea for decades. The supply with fine-grained sediments occurred from the marsh inlet through the tidal channels to the inner salt marsh. Radiometric dating (210Pb and 137Cs reveals that the sedimentation pattern changed fundamentally around the early-mid 1980s when the sedimentation rates increased sharply. By analyzing the photographic evidence, we found that the sand barrier was breached during storm events in the early 1980s. As a result, coarse-grained sediments were brought directly through this overwash from the sea to the mature part of the salt marsh and increased the sedimentation rates. We show that the overwash and the channels created by these storm events built a direct connection to the sea and reduced the distance to the sediment source which promoted salt marsh growth and a supply with coarse-grained sediments. Consequently, the original sediment input from the tidal channels is found to play a minor role in the years following the breach event. The presented study showcases the morphological development of a mature marsh, which contradicts the commonly accepted paradigm of decreasing sedimentation rates with increasing age of the marsh. We argue that similar trends are likely to be observed in other backbarrier marshes, developing in the shelter of unstabilized sand barriers. It further highlights the question of how resilient these salt marshes are toward sea level rise and how extreme storm events interfere in determining the resilience of a mature salt marsh.

  10. The advantage of high relaxivity contrast agents in brain perfusion

    International Nuclear Information System (INIS)

    Cotton, F.; Hermier, M.

    2006-01-01

    Accurate MRI characterization of brain lesions is critical for planning therapeutic strategy, assessing prognosis and monitoring response to therapy. Conventional MRI with gadolinium-based contrast agents is useful for the evaluation of brain lesions, but this approach primarily depicts areas of disruption of the blood-brain barrier (BBB) rather than tissue perfusion. Advanced MR imaging techniques such as dynamic contrast agent-enhanced perfusion MRI provide physiological information that complements the anatomic data available from conventional MRI. We evaluated brain perfusion imaging with gadobenate dimeglumine (Gd-BOPTA, MultiHance; Bracco Imaging, Milan, Italy). The contrast-enhanced perfusion technique was performed on a Philips Intera 1.5-T MR system. The technique used to obtain perfusion images was dynamic susceptibility contrast-enhanced MRI, which is highly sensitive to T2* changes. Combined with PRESTO perfusion imaging, SENSE is applied to double the temporal resolution, thereby improving the signal intensity curve fit and, accordingly, the accuracy of the derived parametric images. MultiHance is the first gadolinium MR contrast agent with significantly higher T1 and T2 relaxivities than conventional MR contrast agents. The higher T1 relaxivity, and therefore better contrast-enhanced T1-weighted imaging, leads to significantly improved detection of BBB breakdown and hence improved brain tumor conspicuity and delineation. The higher T2 relaxivity allows high-quality T2*-weighted perfusion MRI and the derivation of good quality relative cerebral blood volume (rCBV) maps. We determined the value of MultiHance for enhanced T2*-weighted perfusion imaging of histologically proven (by surgery or stereotaxic biopsy) intraaxial brain tumors (n=80), multiple sclerosis lesions (n=10), abscesses (n=4), neurolupus (n=15) and stroke (n=16). All the procedures carried out were safe and no adverse events occurred. The acquired perfusion images were of good quality in

  11. Experiments in paramagnetic relaxation

    International Nuclear Information System (INIS)

    Lijphart, E.E.

    1976-01-01

    This thesis presents two attempts to improve the resolving power of the relaxation measurement technique. The first attempt reconsiders the old technique of steady state saturation. When used in conjunction with the pulse technique, it offers the possibility of obtaining additional information about the system in which all-time derivatives are zero; in addition, non-linear effects may be distinguished from each other. The second attempt involved a systematic study of only one system: Cu in the Tutton salts (K and Rb). The systematic approach, the high accuracy of the measurement and the sheer amount of experimental data for varying temperature, magnetic field and concentration made it possible in this case to separate the prevailing relaxation mechanisms reliably

  12. The Incubation Period of Primary Epstein-Barr Virus Infection: Viral Dynamics and Immunologic Events.

    Directory of Open Access Journals (Sweden)

    Samantha K Dunmire

    2015-12-01

    Full Text Available Epstein-Barr virus (EBV is a human herpesvirus that causes acute infectious mononucleosis and is associated with cancer and autoimmune disease. While many studies have been performed examining acute disease in adults following primary infection, little is known about the virological and immunological events during EBV's lengthy 6 week incubation period owing to the challenge of collecting samples from this stage of infection. We conducted a prospective study in college students with special emphasis on frequent screening to capture blood and oral wash samples during the incubation period. Here we describe the viral dissemination and immune response in the 6 weeks prior to onset of acute infectious mononucleosis symptoms. While virus is presumed to be present in the oral cavity from time of transmission, we did not detect viral genomes in the oral wash until one week before symptom onset, at which time viral genomes were present in high copy numbers, suggesting loss of initial viral replication control. In contrast, using a sensitive nested PCR method, we detected viral genomes at low levels in blood about 3 weeks before symptoms. However, high levels of EBV in the blood were only observed close to symptom onset-coincident with or just after increased viral detection in the oral cavity. These data imply that B cells are the major reservoir of virus in the oral cavity prior to infectious mononucleosis. The early presence of viral genomes in the blood, even at low levels, correlated with a striking decrease in the number of circulating plasmacytoid dendritic cells well before symptom onset, which remained depressed throughout convalescence. On the other hand, natural killer cells expanded only after symptom onset. Likewise, CD4+ Foxp3+ regulatory T cells decreased two fold, but only after symptom onset. We observed no substantial virus specific CD8 T cell expansion during the incubation period, although polyclonal CD8 activation was detected in

  13. Magnetic relaxation in anisotropic magnets

    DEFF Research Database (Denmark)

    Lindgård, Per-Anker

    1971-01-01

    The line shape and the kinematic and thermodynamic slowing down of the critical and paramagnetic relaxation in axially anisotropic materials are discussed. Kinematic slowing down occurs only in the longitudinal relaxation function. The thermodynamic slowing down occurs in either the transverse...... or longitudinal relaxation function depending on the sign of the axial anisotropy....

  14. Momentum constraint relaxation

    International Nuclear Information System (INIS)

    Marronetti, Pedro

    2006-01-01

    Full relativistic simulations in three dimensions invariably develop runaway modes that grow exponentially and are accompanied by violations of the Hamiltonian and momentum constraints. Recently, we introduced a numerical method (Hamiltonian relaxation) that greatly reduces the Hamiltonian constraint violation and helps improve the quality of the numerical model. We present here a method that controls the violation of the momentum constraint. The method is based on the addition of a longitudinal component to the traceless extrinsic curvature A ij -tilde, generated by a vector potential w i , as outlined by York. The components of w i are relaxed to solve approximately the momentum constraint equations, slowly pushing the evolution towards the space of solutions of the constraint equations. We test this method with simulations of binary neutron stars in circular orbits and show that it effectively controls the growth of the aforementioned violations. We also show that a full numerical enforcement of the constraints, as opposed to the gentle correction of the momentum relaxation scheme, results in the development of instabilities that stop the runs shortly

  15. Dynamics of herbicide transport and partitioning under event flow conditions in the lower Burdekin region, Australia

    International Nuclear Information System (INIS)

    Davis, Aaron M.; Lewis, Stephen E.; Bainbridge, Zoë T.; Glendenning, Lionel; Turner, Ryan D.R.; Brodie, Jon E.

    2012-01-01

    This study examined the temporal variability in herbicide delivery to the Great Barrier Reef (GBR) lagoon (Australia) from one of the GBR catchment’s major sugarcane growing regions. Annual loads of measured herbicides were consistently in the order of 200+ kg. Atrazine, it’s degradate desethylatrazine, and diuron contributed approximately 90% of annual herbicide load, with early ‘first-flush’ events accounting for the majority of herbicide loads leaving the catchment. Assessment of herbicide water–sediment partitioning in flood runoff highlighted the majority of herbicides were transported in predominantly dissolved form, although a considerable fraction of diuron was transported in particulate-bound form (ca. 33%). Diuron was also the herbicide demonstrating the highest concentrations and frequency of detection in sediments collected from catchment waterways and adjacent estuarine–marine environments, an outcome aligning with previous research. Herbicide physico-chemical properties appear to play a crucial role in partitioning between water column and sediment habitat types in GBR receiving ecosystems.

  16. Climate Variability Reveals Complex Events for Tularemia Dynamics in Man and Mammals

    Directory of Open Access Journals (Sweden)

    Thomas R. Palo

    2005-06-01

    Full Text Available Tularemia is caused by the bacterium Francisella tularensis, but the natural reservoir is unknown and environmental conditions for outbreaks in mammals and man are poorly understood. The present study analyzed the synchrony between the North Atlantic Oscillation (NAO index, the number of human cases of tularemia reported in Sweden, and the density of hares. Climate variation at a lag of 2 yr explained as a single factor ~ 27% of the variation in the number of tularemia cases over time. A low NAO index, indicating cold winters, and low water flow in rivers during the coming summer were associated with high numbers of human cases of tularemia 2 yr later. The number of mountain hares was not related to NAO or to the number of cases of tularemia. The change in mountain hare numbers was negatively associated with the number of human cases, showing the sensitivity of this species to the disease. Low turnover in water environments may at some point in time trigger a chain of events leading to increased replication of F. tularensis via unknown reservoirs and/or vectors that affect humans and mammals. A possible increase in the NAO index with a future warmer climate would not be expected to facilitate a higher frequency of tularemia outbreaks in Sweden.

  17. Complex Socio-Ecological Dynamics driven by extreme events in the Amazon

    Science.gov (United States)

    Pinho, P. F.

    2015-12-01

    Several years with extreme floods or droughts in the past decade have caused human suffering in remote communities of the Brazilian Amazon. Despite documented local knowledge and practices for coping with the high seasonal variability characteristic of the region's hydrology (e.g. 10m change in river levels between dry and flood seasons), and despite 'civil Defense' interventions by various levels of government, the more extreme years seem to have exceeded the coping capacity of the community. In this paper, we explore whether there is a real increase in variability, whether the community perceives that recent extreme events are outside the experience which shapes their responses to 'normal' levels of variability, and what science-based policy could contribute to greater local resilience. Hydrological analyses suggest that variability is indeed increasing, in line with expectations from future climate change. However, current measures of hydrological regimes do not predict years with social hardship very well. Interviewees in two regions are able to express their strategies for dealing with 'normal' variability very well, but also identify ways in which abnormal years exceed their ability to cope. Current Civil Defense arrangements struggle to deliver emergency assistance in a sufficiently timely and locally appropriate fashion. Combining these insights in the context of social-ecological change, we suggest how better integration of science, policy and local knowledge could improve resilience to future trends, and identify some contributions science could make into such an arrangement.

  18. Multiple independent structural dynamic events in the evolution of snake mitochondrial genomes.

    Science.gov (United States)

    Qian, Lifu; Wang, Hui; Yan, Jie; Pan, Tao; Jiang, Shanqun; Rao, Dingqi; Zhang, Baowei

    2018-05-10

    Mitochondrial DNA sequences have long been used in phylogenetic studies. However, little attention has been paid to the changes in gene arrangement patterns in the snake's mitogenome. Here, we analyzed the complete mitogenome sequences and structures of 65 snake species from 14 families and examined their structural patterns, organization and evolution. Our purpose was to further investigate the evolutionary implications and possible rearrangement mechanisms of the mitogenome within snakes. In total, eleven types of mitochondrial gene arrangement patterns were detected (Type I, II, III, III-A, III-B, III-B1, III-C, III-D, III-E, III-F, III-G), with mitochondrial genome rearrangements being a major trend in snakes, especially in Alethinophidia. In snake mitogenomes, the rearrangements mainly involved three processes, gene loss, translocation and duplication. Within Scolecophidia, the O L was lost several times in Typhlopidae and Leptotyphlopidae, but persisted as a plesiomorphy in the Alethinophidia. Duplication of the control region and translocation of the tRNA Leu gene are two visible features in Alethinophidian mitochondrial genomes. Independently and stochastically, the duplication of pseudo-Pro (P*) emerged in seven different lineages of unequal size in three families, indicating that the presence of P* was a polytopic event in the mitogenome. The WANCY tRNA gene cluster and the control regions and their adjacent segments were hotspots for mitogenome rearrangement. Maintenance of duplicate control regions may be the source for snake mitogenome structural diversity.

  19. THE DYNAMICS OF PEACEFUL RESOLUTION OF THE GEORGIAN-ABKHAZ CONFLICT (BEFORE THE AUGUST 2008 EVENTS

    Directory of Open Access Journals (Sweden)

    А О Ласария

    2017-12-01

    Full Text Available In this article, research attention is paid to the structure and dynamics of the peaceful resolu-tion of ethnopolitical conflicts in the Caucasus region (on the example of the Georgian-Abkhaz confrontation. The study takes into account the factors that were the catalysts of the escalation of the ethnopolitical conflict in the territory of Abkhazia. The collapse of the USSR and the collapse of the ideology of internationalism led to the need to develop a completely new identity. Most of the elites and socio-political movements of the post-Soviet period have focused on the formation of ideological structures from national and historical roots. In the last decade of the 20th century, the tendencies towards the realization of the right to national self-determination (in Abkhazia and South Ossetia and on the other hand to maintain the territorial integrity of the state (for example, in post-Soviet Georgia acquired an antagonistic character. An important political goal is to identify conceptual aspects of the resolution of the Georgian-Abkhaz conflict, which can be used as a basis for elaborating mechanisms for regulating ethnopolitical conflicts in the Caucasus region.

  20. Diversity of sharp-wave–ripple LFP signatures reveals differentiated brain-wide dynamical events

    Science.gov (United States)

    Ramirez-Villegas, Juan F.; Logothetis, Nikos K.; Besserve, Michel

    2015-01-01

    Sharp-wave–ripple (SPW-R) complexes are believed to mediate memory reactivation, transfer, and consolidation. However, their underlying neuronal dynamics at multiple scales remains poorly understood. Using concurrent hippocampal local field potential (LFP) recordings and functional MRI (fMRI), we study local changes in neuronal activity during SPW-R episodes and their brain-wide correlates. Analysis of the temporal alignment between SPW and ripple components reveals well-differentiated SPW-R subtypes in the CA1 LFP. SPW-R–triggered fMRI maps show that ripples aligned to the positive peak of their SPWs have enhanced neocortical metabolic up-regulation. In contrast, ripples occurring at the trough of their SPWs relate to weaker neocortical up-regulation and absent subcortical down-regulation, indicating differentiated involvement of neuromodulatory pathways in the ripple phenomenon mediated by long-range interactions. To our knowledge, this study provides the first evidence for the existence of SPW-R subtypes with differentiated CA1 activity and metabolic correlates in related brain areas, possibly serving different memory functions. PMID:26540729

  1. Diversity of sharp-wave-ripple LFP signatures reveals differentiated brain-wide dynamical events.

    Science.gov (United States)

    Ramirez-Villegas, Juan F; Logothetis, Nikos K; Besserve, Michel

    2015-11-17

    Sharp-wave-ripple (SPW-R) complexes are believed to mediate memory reactivation, transfer, and consolidation. However, their underlying neuronal dynamics at multiple scales remains poorly understood. Using concurrent hippocampal local field potential (LFP) recordings and functional MRI (fMRI), we study local changes in neuronal activity during SPW-R episodes and their brain-wide correlates. Analysis of the temporal alignment between SPW and ripple components reveals well-differentiated SPW-R subtypes in the CA1 LFP. SPW-R-triggered fMRI maps show that ripples aligned to the positive peak of their SPWs have enhanced neocortical metabolic up-regulation. In contrast, ripples occurring at the trough of their SPWs relate to weaker neocortical up-regulation and absent subcortical down-regulation, indicating differentiated involvement of neuromodulatory pathways in the ripple phenomenon mediated by long-range interactions. To our knowledge, this study provides the first evidence for the existence of SPW-R subtypes with differentiated CA1 activity and metabolic correlates in related brain areas, possibly serving different memory functions.

  2. Dynamic of Mutational Events in Variable Number Tandem Repeats of Escherichia coli O157:H7

    Directory of Open Access Journals (Sweden)

    A. V. Bustamante

    2013-01-01

    Full Text Available VNTRs regions have been successfully used for bacterial subtyping; however, the hypervariability in VNTR loci is problematic when trying to predict the relationships among isolates. Since few studies have examined the mutation rate of these markers, our aim was to estimate mutation rates of VNTRs specific for verotoxigenic E. coli O157:H7. The knowledge of VNTR mutational rates and the factors affecting them would make MLVA more effective for epidemiological or microbial forensic investigations. For this purpose, we analyzed nine loci performing parallel, serial passage experiments (PSPEs on 9 O157:H7 strains. The combined 9 PSPE population rates for the 8 mutating loci ranged from 4.4 × 10−05 to 1.8 × 10−03 mutations/generation, and the combined 8-loci mutation rate was of 2.5 × 10−03 mutations/generation. Mutations involved complete repeat units, with only one point mutation detected. A similar proportion between single and multiple repeat changes was detected. Of the 56 repeat mutations, 59% were insertions and 41% were deletions, and 72% of the mutation events corresponded to O157-10 locus. For alleles with up to 13 UR, a constant and low mutation rate was observed; meanwhile longer alleles were associated with higher and variable mutation rates. Our results are useful to interpret data from microevolution and population epidemiology studies and particularly point out that the inclusion or not of O157-10 locus or, alternatively, a differential weighting data according to the mutation rates of loci must be evaluated in relation with the objectives of the proposed study.

  3. Study of the relaxation dynamics of Styryl 8 and of its solvent cage by sub-pico-second fluorescence laser spectroscopy

    International Nuclear Information System (INIS)

    Hebert, Philippe

    1992-01-01

    This research thesis addressed the study of the solvation dynamics of the fluorescent excited state of the styryl 8 molecule, and also the study of the photo-physical and photo-chemical properties, solvatochromism, fluorescence quantum efficiencies, non-radiative de-activation process, and photo-stability of this molecule. The development of a time-resolved (at a pico-second scale) fluorescence laser spectroscopy in a non linear crystal allowed the observation of styryl 8 short time fluorescence kinetics in different solvents, and the analysis of the evolution in time of its fluorescence spectra. Styryl rotation movements have also been studied with the same apparatus by performing time-resolved fluorescence anisotropy. The comparison between experimental results and those obtained with theoretical models highlights interactions between solute and solvent [fr

  4. An Event-Driven Classifier for Spiking Neural Networks Fed with Synthetic or Dynamic Vision Sensor Data

    Directory of Open Access Journals (Sweden)

    Evangelos Stromatias

    2017-06-01

    Full Text Available This paper introduces a novel methodology for training an event-driven classifier within a Spiking Neural Network (SNN System capable of yielding good classification results when using both synthetic input data and real data captured from Dynamic Vision Sensor (DVS chips. The proposed supervised method uses the spiking activity provided by an arbitrary topology of prior SNN layers to build histograms and train the classifier in the frame domain using the stochastic gradient descent algorithm. In addition, this approach can cope with leaky integrate-and-fire neuron models within the SNN, a desirable feature for real-world SNN applications, where neural activation must fade away after some time in the absence of inputs. Consequently, this way of building histograms captures the dynamics of spikes immediately before the classifier. We tested our method on the MNIST data set using different synthetic encodings and real DVS sensory data sets such as N-MNIST, MNIST-DVS, and Poker-DVS using the same network topology and feature maps. We demonstrate the effectiveness of our approach by achieving the highest classification accuracy reported on the N-MNIST (97.77% and Poker-DVS (100% real DVS data sets to date with a spiking convolutional network. Moreover, by using the proposed method we were able to retrain the output layer of a previously reported spiking neural network and increase its performance by 2%, suggesting that the proposed classifier can be used as the output layer in works where features are extracted using unsupervised spike-based learning methods. In addition, we also analyze SNN performance figures such as total event activity and network latencies, which are relevant for eventual hardware implementations. In summary, the paper aggregates unsupervised-trained SNNs with a supervised-trained SNN classifier, combining and applying them to heterogeneous sets of benchmarks, both synthetic and from real DVS chips.

  5. An Event-Driven Classifier for Spiking Neural Networks Fed with Synthetic or Dynamic Vision Sensor Data.

    Science.gov (United States)

    Stromatias, Evangelos; Soto, Miguel; Serrano-Gotarredona, Teresa; Linares-Barranco, Bernabé

    2017-01-01

    This paper introduces a novel methodology for training an event-driven classifier within a Spiking Neural Network (SNN) System capable of yielding good classification results when using both synthetic input data and real data captured from Dynamic Vision Sensor (DVS) chips. The proposed supervised method uses the spiking activity provided by an arbitrary topology of prior SNN layers to build histograms and train the classifier in the frame domain using the stochastic gradient descent algorithm. In addition, this approach can cope with leaky integrate-and-fire neuron models within the SNN, a desirable feature for real-world SNN applications, where neural activation must fade away after some time in the absence of inputs. Consequently, this way of building histograms captures the dynamics of spikes immediately before the classifier. We tested our method on the MNIST data set using different synthetic encodings and real DVS sensory data sets such as N-MNIST, MNIST-DVS, and Poker-DVS using the same network topology and feature maps. We demonstrate the effectiveness of our approach by achieving the highest classification accuracy reported on the N-MNIST (97.77%) and Poker-DVS (100%) real DVS data sets to date with a spiking convolutional network. Moreover, by using the proposed method we were able to retrain the output layer of a previously reported spiking neural network and increase its performance by 2%, suggesting that the proposed classifier can be used as the output layer in works where features are extracted using unsupervised spike-based learning methods. In addition, we also analyze SNN performance figures such as total event activity and network latencies, which are relevant for eventual hardware implementations. In summary, the paper aggregates unsupervised-trained SNNs with a supervised-trained SNN classifier, combining and applying them to heterogeneous sets of benchmarks, both synthetic and from real DVS chips.

  6. The Intense Arctic Cyclone of Early August 2012: A Dynamically Driven Cyclogenesis Event

    Science.gov (United States)

    Bosart, L. F.; Turchioe, A.; Adamchcik, E.

    2013-12-01

    A series of surface cyclones formed along an anomalously strong northeast-southwest oriented baroclinic zone over north-central Russia on 1-3 August 2012. These cyclones moved northeastward, intensified slowly, and crossed the coast of Russia by 4 August. The last cyclone in the series strengthened rapidly as it moved poleward over the Arctic Ocean on 5-6 August, achieved a minimum sea level pressure of life cycle of this Arctic Ocean cyclone from a multiscale perspective. Anticyclonic wave breaking in the upper troposphere across Russia in late July and very early August 2012 created an anomalously strong baroclinic zone across northern Asia between 60-80°N. During 1-5 August, negative 850 hPa temperature anomalies between -2° and -4°C were found poleward of 70-75°N between 90°E and the Dateline over the Arctic Ocean while positive 850 hPa temperature anomalies of 8-9°C were found over eastern Russia near 60°N. The associated anomalously strong 850 hPa meridional temperature gradient of ~10°C (2000 km)-1 helped to sustain an anomalously strong (20-30 m s-1) 250 hPa jet along the coast of northeastern Russia. A local wind speed maximum (~50 m s-1 ) embedded in this 250 hPa jet corridor contributed to the extreme intensity of the trailing (last) surface cyclone in the series. Although the dominant surface cyclone in the series of surface cyclones intensified most rapidly over the relatively ice free Arctic Ocean, the impact of surface heat and moisture fluxes appeared to be secondary to jet-driven dynamical processes in the deepening process. Anomalously high observed 1000-500 hPa thickness values between 564-570 dam, precipitable water values between 30-40 mm, and CAPE values between 500-1000 J kg-1 in the warm sector of the developing cyclone over north-central Russia were indicative of the enhanced baroclinicity and instability in the cyclone warm sector and the ability of lower tropospheric warm-air advection to sustain deep ascent in the intensifying

  7. Dynamics of snap-off and pore-filling events during two-phase fluid flow in permeable media.

    Science.gov (United States)

    Singh, Kamaljit; Menke, Hannah; Andrew, Matthew; Lin, Qingyang; Rau, Christoph; Blunt, Martin J; Bijeljic, Branko

    2017-07-12

    Understanding the pore-scale dynamics of two-phase fluid flow in permeable media is important in many processes such as water infiltration in soils, oil recovery, and geo-sequestration of CO 2 . The two most important processes that compete during the displacement of a non-wetting fluid by a wetting fluid are pore-filling or piston-like displacement and snap-off; this latter process can lead to trapping of the non-wetting phase. We present a three-dimensional dynamic visualization study using fast synchrotron X-ray micro-tomography to provide new insights into these processes by conducting a time-resolved pore-by-pore analysis of the local curvature and capillary pressure. We show that the time-scales of interface movement and brine layer swelling leading to snap-off are several minutes, orders of magnitude slower than observed for Haines jumps in drainage. The local capillary pressure increases rapidly after snap-off as the trapped phase finds a position that is a new local energy minimum. However, the pressure change is less dramatic than that observed during drainage. We also show that the brine-oil interface jumps from pore-to-pore during imbibition at an approximately constant local capillary pressure, with an event size of the order of an average pore size, again much smaller than the large bursts seen during drainage.

  8. Local order dynamics: its application to the study of atomic mobility, of point defects in crystalline alloys, and of structural relaxation in amorphous alloys

    International Nuclear Information System (INIS)

    Balanzat, Emmanuel

    1983-01-01

    This research thesis addressed the study of the atomic mobility mechanism and of the atom movement dynamics in the case of crystalline alloys and of amorphous alloys. The first part is based on a previous study performed on an α-Cu 70 -Zn 30 crystalline alloy, and addresses the case of an α-Au 70 -Ni 30 alloy. The specificity of this case relies in the fact that the considered solid solution is metastable and susceptible to de-mixing in the considered temperature range. This case of off-equilibrium crystalline alloy is at the crossroad between steady crystalline alloys and metallic glasses which are studied in the second part. The third part addresses the irradiation of metallic amorphous alloys by fast particles (neutrons or electrons). The author tried to characterise atomic defects induced by irradiation and to compare them with pre-existing ones. He studied how these defects may change atomic mobility, and, more generally, to which extent the impact of energetic particles could modify local order status

  9. Study of vortex dynamics with local magnetic relaxation measurements in the superconducting compound Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}; Etude de la dynamique des vortex par des mesures locales de relaxation magnetique dans le compose supraconducteur Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}

    Energy Technology Data Exchange (ETDEWEB)

    Berry, St

    2000-07-01

    This experimental study of the magnetic field-temperature phase diagram and of the vortex dynamics in high- T{sub c} superconductors focuses on Bismuth-based cuprates: Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}. In type-II superconductors, mixed state characterized by the presence of vortices (quanta of magnetic flux) is divided by a transition line determined by two features of magnetization loops. For T > 40 K, magnetization loops vs applied field show a step evidence of a first order transition. From 20 to 40 K, a second peak replacing the step correspond to an abrupt increase of irreversibility interpreted as a bulk current. We want to understand the nature of the second peak (thermodynamic or nonequilibrium property) and separate phenomena contributing to irreversibility (flux pinning, geometrical or surface effects). Magnetic measurement techniques are nondestructive and have a resolution of few microns. Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} single crystals are optimized by localizing defectives regions with a magneto-optic technique for flux imaging and elimination of these regions with a wire saw. Local magnetization loops and relaxation measurements performed with a microscopic Hall probe array allow to distinguish irreversibility sources. The shape of induction profiles indicates which current dominate between surface current and bulk pinning induced current. Two crossover with time and a direct observation of two phases coexistence in induction profiles enlighten phenomena in play. The measured electric field-current density characteristics lead to barrier energy U(j) controlling thermally activated flux motion. Three relations (U(j) (surface, bulk low and high field) explain second peak. (author)

  10. Relaxing music counters heightened consolidation of emotional memory.

    Science.gov (United States)

    Rickard, Nikki S; Wong, Wendy Wing; Velik, Lauren

    2012-02-01

    Emotional events tend to be retained more strongly than other everyday occurrences, a phenomenon partially regulated by the neuromodulatory effects of arousal. Two experiments demonstrated the use of relaxing music as a means of reducing arousal levels, thereby challenging heightened long-term recall of an emotional story. In Experiment 1, participants (N=84) viewed a slideshow, during which they listened to either an emotional or neutral narration, and were exposed to relaxing or no music. Retention was tested 1 week later via a forced choice recognition test. Retention for both the emotional content (Phase 2 of the story) and material presented immediately after the emotional content (Phase 3) was enhanced, when compared with retention for the neutral story. Relaxing music prevented the enhancement for material presented after the emotional content (Phase 3). Experiment 2 (N=159) provided further support to the neuromodulatory effect of music by post-event presentation of both relaxing music and non-relaxing auditory stimuli (arousing music/background sound). Free recall of the story was assessed immediately afterwards and 1 week later. Relaxing music significantly reduced recall of the emotional story (Phase 2). The findings provide further insight into the capacity of relaxing music to attenuate the strength of emotional memory, offering support for the therapeutic use of music for such purposes. Copyright © 2011 Elsevier Inc. All rights reserved.

  11. When an event sparks behavior change: an introduction to the sentinel event method of dynamic model building and its application to emergency medicine.

    Science.gov (United States)

    Boudreaux, Edwin D; Bock, Beth; O'Hea, Erin

    2012-03-01

    Experiencing a negative consequence related to one's health behavior, like a medical problem leading to an emergency department (ED) visit, can promote behavior change, giving rise to the popular concept of the "teachable moment." However, the mechanisms of action underlying this process of change have received scant attention. In particular, most existing health behavior theories are limited in explaining why such events can inspire short-term change in some and long-term change in others. Expanding on recommendations published in the 2009 Academic Emergency Medicine consensus conference on public health in emergency medicine (EM), we propose a new method for developing conceptual models that explain how negative events, like medical emergencies, influence behavior change, called the Sentinel Event Method. The method itself is atheoretical; instead, it defines steps to guide investigations that seek to relate specific consequences or events to specific health behaviors. This method can be used to adapt existing health behavior theories to study the event-behavior change relationship or to guide formulation of completely new conceptual models. This paper presents the tenets underlying the Sentinel Event Method, describes the steps comprising the process, and illustrates its application to EM through an example of a cardiac-related ED visit and tobacco use. © 2012 by the Society for Academic Emergency Medicine.

  12. Electron spin relaxation in cryptochrome-based magnetoreception

    DEFF Research Database (Denmark)

    Kattnig, Daniel R; Solov'yov, Ilia A; Hore, P J

    2016-01-01

    The magnetic compass sense of migratory birds is thought to rely on magnetically sensitive radical pairs formed photochemically in cryptochrome proteins in the retina. An important requirement of this hypothesis is that electron spin relaxation is slow enough for the Earth's magnetic field to have...... this question for a structurally characterized model cryptochrome expected to share many properties with the putative avian receptor protein. To this end we combine all-atom molecular dynamics simulations, Bloch-Redfield relaxation theory and spin dynamics calculations to assess the effects of spin relaxation...... on the performance of the protein as a compass sensor. Both flavin-tryptophan and flavin-Z˙ radical pairs are studied (Z˙ is a radical with no hyperfine interactions). Relaxation is considered to arise from modulation of hyperfine interactions by librational motions of the radicals and fluctuations in certain...

  13. State resolved vibrational relaxation modeling for strongly nonequilibrium flows

    Science.gov (United States)

    Boyd, Iain D.; Josyula, Eswar

    2011-05-01

    Vibrational relaxation is an important physical process in hypersonic flows. Activation of the vibrational mode affects the fundamental thermodynamic properties and finite rate relaxation can reduce the degree of dissociation of a gas. Low fidelity models of vibrational activation employ a relaxation time to capture the process at a macroscopic level. High fidelity, state-resolved models have been developed for use in continuum gas dynamics simulations based on computational fluid dynamics (CFD). By comparison, such models are not as common for use with the direct simulation Monte Carlo (DSMC) method. In this study, a high fidelity, state-resolved vibrational relaxation model is developed for the DSMC technique. The model is based on the forced harmonic oscillator approach in which multi-quantum transitions may become dominant at high temperature. Results obtained for integrated rate coefficients from the DSMC model are consistent with the corresponding CFD model. Comparison of relaxation results obtained with the high-fidelity DSMC model shows significantly less excitation of upper vibrational levels in comparison to the standard, lower fidelity DSMC vibrational relaxation model. Application of the new DSMC model to a Mach 7 normal shock wave in carbon monoxide provides better agreement with experimental measurements than the standard DSMC relaxation model.

  14. Contractive relaxation systems and interacting particles for scalar conservation laws

    International Nuclear Information System (INIS)

    Katsoulakis, M.A.; Tzavaras, A.E.

    1996-01-01

    We consider a class of semi linear hyperbolic systems with relaxation that are contractive in the L 1 -norm and admit invariant regions. We show that, as the relaxation parameter ξ goes to zero, their solutions converge to a weak solution of the scalar multidimensional conversation law that satisfies the Kruzhkov conditions. In the case of one space dimension, we propose certain interacting particle systems, whose mesoscopic limit is the systems with relaxation and their macroscopic dynamics is described by entropy solutions of a scalar conservation law. (author)

  15. Thermally induced magnetic relaxation in square artificial spin ice

    Science.gov (United States)

    Andersson, M. S.; Pappas, S. D.; Stopfel, H.; Östman, E.; Stein, A.; Nordblad, P.; Mathieu, R.; Hjörvarsson, B.; Kapaklis, V.

    2016-11-01

    The properties of natural and artificial assemblies of interacting elements, ranging from Quarks to Galaxies, are at the heart of Physics. The collective response and dynamics of such assemblies are dictated by the intrinsic dynamical properties of the building blocks, the nature of their interactions and topological constraints. Here we report on the relaxation dynamics of the magnetization of artificial assemblies of mesoscopic spins. In our model nano-magnetic system - square artificial spin ice - we are able to control the geometrical arrangement and interaction strength between the magnetically interacting building blocks by means of nano-lithography. Using time resolved magnetometry we show that the relaxation process can be described using the Kohlrausch law and that the extracted temperature dependent relaxation times of the assemblies follow the Vogel-Fulcher law. The results provide insight into the relaxation dynamics of mesoscopic nano-magnetic model systems, with adjustable energy and time scales, and demonstrates that these can serve as an ideal playground for the studies of collective dynamics and relaxations.

  16. On the dynamics of implicit emotion regulation: counter-regulation after remembering events of high but not of low emotional intensity.

    Science.gov (United States)

    Schwager, Susanne; Rothermund, Klaus

    2014-01-01

    Valence biases in attention allocation were assessed after remembering positive or negative personal events that were either still emotionally hot or to which the person had already adapted psychologically. Differences regarding the current state of psychological adjustment were manipulated experimentally by instructing participants to recall distant vs. recent events (Experiment 1) or affectively hot events vs. events to which the person had accommodated already (Experiment 2). Valence biases in affective processing were measured with a valence search task. Processes of emotional counter-regulation (i.e., attention allocation to stimuli of opposite valence to the emotional event) were elicited by remembering affectively hot events, whereas congruency effects (i.e., attention allocation to stimuli of the same valence as the emotional event) were obtained for events for which a final appraisal had already been established. The results of our study help to resolve conflicting findings from the literature regarding congruent vs. incongruent effects of remembering emotional events on affective processing. We discuss implications of our findings for the conception of emotions and for the dynamics of emotion regulation processes.

  17. Feasibility of a neutron detector-dosemeter based on single-event upsets in dynamic random-access memories

    International Nuclear Information System (INIS)

    Phillips, G.W.; August, R.A.; Campbell, A.B.; Nelson, M.E.; Guardala, N.A.; Price, J.L.; Moscovitch, M.

    2002-01-01

    The feasibility was investigated of a solid-state neutron detector/dosemeter based on single-event upset (SEU) effects in dynamic random-access memories (DRAMs), commonly used in computer memories. Such a device, which uses a neutron converter material to produce a charged particle capable of causing an upset, would be light-weight, low-power, and could be read simply by polling the memory for bit flips. It would have significant advantages over standard solid-state neutron dosemeters which require off-line processing for track etching and analysis. Previous efforts at developing an SEU neutron detector/dosemeter have suffered from poor response, which can be greatly enhanced by selecting a modern high-density DRAM chip for SEU sensitivity and by using a thin 10 B film as a converter. Past attempts to use 10 B were not successful because the average alpha particle energy was insufficient to penetrate to the sensitive region of the memory. This can be overcome by removing the surface passivation layer before depositing the 10 B film or by implanting 10B directly into the chip. Previous experimental data show a 10 3 increase in neutron sensitivity by chips containing borosilicate glass, which could be used in an SEU detector. The results are presented of simulations showing that the absolute efficiency of an SEU neutron dosemeter can be increased by at least a factor of 1000 over earlier designs. (author)

  18. Modeling the dynamics of a storm-time acceleration event: combining MHD effects with wave-particle interactions

    Science.gov (United States)

    Elkington, S. R.; Alam, S. S.; Chan, A. A.; Albert, J.; Jaynes, A. N.; Baker, D. N.; Wiltberger, M. J.

    2017-12-01

    Global simulations of radiation belt dynamics are often undertaken using either a transport formalism (e.g. Fokker-Plank), or via test particle simulations in model electric and magnetic fields. While transport formalisms offer computational efficiency and the ability to deal with a wide range of wave-particle interactions, they typically rely on simplified background fields, and often are limited to empirically-specified stochastic (diffusive) wave-particle interactions. On the other hand, test particle simulations may be carried out in global MHD simulations that include realistic physical effects such as magnetopause shadowing, convection, and substorm injections, but lack the ability to handle physics outside the MHD approximation in the realm of higher frequency (kHz) wave populations.In this work we introduce a comprehensive simulation framework combining global MHD/test particle techniques to provide realistic background fields and radial transport processes, with a Stochastic Differential Equation (SDE) method for addressing high frequency wave-particle interactions. We examine the March 17, 2013 storm-time acceleration period, an NSF-GEM focus challenge event, and use the framework to examine the relative importance of physical effects such as magnetopause shadowing, diffusive and advective transport processes, and wave-particle interactions through the various phases of the storm.

  19. Description of Anomalous Noise Events for Reliable Dynamic Traffic Noise Mapping in Real-Life Urban and Suburban Soundscapes

    Directory of Open Access Journals (Sweden)

    Francesc Alías

    2017-02-01

    Full Text Available Traffic noise is one of the main pollutants in urban and suburban areas. European authorities have driven several initiatives to study, prevent and reduce the effects of exposure of population to traffic. Recent technological advances have allowed the dynamic computation of noise levels by means of Wireless Acoustic Sensor Networks (WASN such as that developed within the European LIFE DYNAMAP project. Those WASN should be capable of detecting and discarding non-desired sound sources from road traffic noise, denoted as anomalous noise events (ANE, in order to generate reliable noise level maps. Due to the local, occasional and diverse nature of ANE, some works have opted to artificially build ANE databases at the cost of misrepresentation. This work presents the production and analysis of a real-life environmental audio database in two urban and suburban areas specifically conceived for anomalous noise events’ collection. A total of 9 h 8 min of labelled audio data is obtained differentiating among road traffic noise, background city noise and ANE. After delimiting their boundaries manually, the acoustic salience of the ANE samples is automatically computed as a contextual signal-to-noise ratio (SNR. The analysis of the real-life environmental database shows high diversity of ANEs in terms of occurrences, durations and SNRs, as well as confirming both the expected differences between the urban and suburban soundscapes in terms of occurrences and SNRs, and the rare nature of ANE.

  20. Relaxation in the XX quantum chain

    International Nuclear Information System (INIS)

    Platini, Thierry; Karevski, Dragi

    2007-01-01

    We present the results obtained on the magnetization relaxation properties of an XX quantum chain in a transverse magnetic field. We first consider an initial thermal kink-like state where half of the chain is initially thermalized at a very high temperature T b while the remaining half, called the system, is put at a lower temperature T s . From this initial state, we derive analytically the Green function associated with the dynamical behaviour of the transverse magnetization. Depending on the strength of the magnetic field and on the temperature of the system, different regimes are obtained for the magnetic relaxation. In particular, with an initial droplet-like state, that is a cold subsystem of the finite size in contact at both ends with an infinite temperature environment, we derive analytically the behaviour of the time-dependent system magnetization