WorldWideScience

Sample records for accelerating glassy dynamics

  1. Accelerating glassy dynamics using graphics processing units

    CERN Document Server

    Colberg, Peter H

    2009-01-01

    Modern graphics hardware offers peak performances close to 1 Tflop/s, and NVIDIA's CUDA provides a flexible and convenient programming interface to exploit these immense computing resources. We demonstrate the ability of GPUs to perform high-precision molecular dynamics simulations for nearly a million particles running stably over many days. Particular emphasis is put on the numerical long-time stability in terms of energy and momentum conservation. Floating point precision is a crucial issue here, and sufficient precision is maintained by double-single emulation of the floating point arithmetic. As a demanding test case, we have reproduced the slow dynamics of a binary Lennard-Jones mixture close to the glass transition. The improved numerical accuracy permits us to follow the relaxation dynamics of a large system over 4 non-trivial decades in time. Further, our data provide evidence for a negative power-law decay of the velocity autocorrelation function with exponent 5/2 in the close vicinity of the transi...

  2. Glassy Dynamics

    DEFF Research Database (Denmark)

    Jensen, Henrik J.; Sibani, Paolo

    2007-01-01

    The term glassy dynamics is often used to refer to the extremely slow relaxation observed in several types of many component systems. The time span needed to reach a steady, time independent, state will typically be far beyond experimentally accessible time scales. When melted alloys are cooled d...

  3. Active cage model of glassy dynamics

    Science.gov (United States)

    Fodor, Étienne; Hayakawa, Hisao; Visco, Paolo; van Wijland, Frédéric

    2016-07-01

    We build up a phenomenological picture in terms of the effective dynamics of a tracer confined in a cage experiencing random hops to capture some characteristics of glassy systems. This minimal description exhibits scale invariance properties for the small-displacement distribution that echo experimental observations. We predict the existence of exponential tails as a crossover between two Gaussian regimes. Moreover, we demonstrate that the onset of glassy behavior is controlled only by two dimensionless numbers: the number of hops occurring during the relaxation of the particle within a local cage and the ratio of the hopping length to the cage size.

  4. Dynamics of caged ions in glassy ionic conductors.

    Science.gov (United States)

    Habasaki, J; Ngai, K L; Hiwatari, Y

    2004-05-01

    At sufficiently high frequency and low temperature, the dielectric responses of glassy, crystalline, and molten ionic conductors all invariably exhibit nearly constant loss. This ubiquitous characteristic occurs in the short-time regime when the ions are still caged, indicating that it could be a determining factor of the mobility of the ions in conduction at longer times. An improved understanding of its origin should benefit the research of ion conducting materials for portable energy source as well as the resolution of the fundamental problem of the dynamics of ions. We perform molecular dynamics simulations of glassy lithium metasilicate (Li2SiO3) and find that the length scales of the caged Li+ ions motions are distributed according to a Levy distribution that has a long tail. These results suggest that the nearly constant loss originates from "dynamic anharmonicity" experienced by the moving but caged Li+ ions and provided by the surrounding matrix atoms executing correlated movements. The results pave the way for rigorous treatments of caged ion dynamics by nonlinear Hamiltonian dynamics.

  5. Hierarchical heterogeneous glassy dynamics of configuration changes and vibration modes

    Science.gov (United States)

    Kawasaki, Takeshi; Shiba, Hayato; Onuki, Akira

    2013-02-01

    To understand the quantitative properties of dynamic heterogeneities on glassy particle systems, we use the theoretical scheme of bond-breakage which can detect configuration rearrangements corresponding to the structural relaxations. It is compared with the four-point correlation scheme for the results of binary mixtures with molecular dynamics simulations of two dimensional NVE ensembles. From the comparisons in the systems, we find superpositions of heterogeneity of configuration rearrangements and that induced by low-frequency vibration modes. The bond breakage scheme detects the long-time relaxations without short-time vibrations. The four-point scheme detects the mixed dynamics of the both. We find that the results on four-point scheme are sensitive to the influence of such vibration modes which gives rise to detectable system-size effects in physical properties.

  6. Glassy dynamics of nanoparticles in semiflexible ring polymer nanocomposite melts

    Science.gov (United States)

    Zhou, Xiaolin; Jiang, Yangwei; Deng, Zhenyu; Zhang, Linxi

    2017-01-01

    By employing molecular dynamics simulations, we explore the dynamics of NPs in semiflexible ring polymer nanocomposite melts. A novel glass transition is observed for NPs in semiflexible ring polymer melts as the bending energy (Kb) of ring polymers increases. For NPs in flexible ring polymer melts (Kb = 0), NPs move in the classic diffusive behavior. However, for NPs in semiflexible ring polymer melts with large bending energy, NPs diffuse very slowly and exhibit the glassy state in which the NPs are all irreversibly caged be the neighbouring semiflexible ring polymers. This glass transition occurs well above the classical glass transition temperature at which microscopic mobility is lost, and the topological interactions of semiflexible ring polymers play an important role in this non-classical glass transition. This investigation can help us understand the nature of the glass transition in polymer systems. PMID:28290546

  7. Glassy dynamics in CuMn thin-film multilayers

    Science.gov (United States)

    Zhai, Qiang; Harrison, David C.; Tennant, Daniel; Dalhberg, E. Dan; Kenning, Gregory G.; Orbach, Raymond L.

    2017-02-01

    Thin-film multilayered spin-glass CuMn/Cu structures display glassy dynamics. The freezing temperature Tf was measured for 40 layers of CuMn films of thickness L =4.5 ,9.0 , and 20.0 nm, sandwiched between nonmagnetic Cu layers of thickness ≈60 nm. The Kenning effect, Tf∝lnL , is shown to follow from power-law dynamics where the correlation length grows from nucleation as ξ (t ,T ) =c1a0(t/τ0) c2(T /Tg) , leading to [(Tf/Tg) c2ln(tco/τ0) ] +lnc1=ln(L /a0) . Here, Tg is the bulk spin-glass temperature, c1 and c2 are constants determined from the spin-glass dynamics, tco is the time for the correlation length to grow to the film thickness, τ0 is a characteristic exchange time ≈ℏ /kBTg , and a0 is the average Mn-Mn separation. For t ≥tco , the magnetization dynamics are simple activated, with a single activation energy Δmax(L ) /kBTg=(1 /c2) [ln(L /a0) -lnc1] that does not change with time. Values for all these parameters are found for the three values of L explored in these measurements. We find experimentally Δmax(L ) /kB =907 , 1246, and 1650 K, respectively, for the three CuMn thin-film multilayer thicknesses, consistent with power-law dynamics. We perform a similar analysis based on the activated dynamics of the droplet model and find a much larger spread for Δmax(L ) than found experimentally.

  8. Charge Transport and Glassy Dynamics in Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Sangoro, Joshua R [ORNL; Kremer, Friedrich [University of Leipzig

    2012-01-01

    Ionic liquids (ILs) exhibit unique features such as low melting points, low vapor pressures, wide liquidus temperature ranges, high thermal stability, high ionic conductivity, and wide electrochemical windows. As a result, they show promise for use in variety of applications: as reaction media, in batteries and supercapacitors, in solar and fuel cells, for electrochemical deposition of metals and semiconductors, for protein extraction and crystallization, and many others. Because of the ease with which they can be supercooled, ionic liquids offer new opportunities to investigate long-standing questions regarding the nature of the dynamic glass transition and its possible link to charge transport. Despite the significant steps achieved from experimental and theoretical studies, no generally accepted quantitative theory of dynamic glass transition to date has been capable of reproducing all the experimentally observed features. In this Account, we discuss recent studies of the interplay between charge transport and glassy dynamics in ionic liquids as investigated by a combination of several experimental techniques including broadband dielectric spectroscopy, pulsed field gradient nuclear magnetic resonance, dynamic mechanical spectroscopy, and differential scanning calorimetry. Based on EinsteinSmoluchowski relations, we use dielectric spectra of ionic liquids to determine diffusion coefficients in quantitative agreement with independent pulsed field gradient nuclear magnetic resonance measurements, but spanning a broader range of more than 10 orders of magnitude. This approach provides a novel opportunity to determine the electrical mobility and effective number density of charge carriers as well as their types of thermal activation from the measured dc conductivity separately. We also unravel the origin of the remarkable universality of charge transport in different classes of glass-forming ionic liquids.

  9. Dynamics of pyroelectric accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Ghaderi, R.; Davani, F. Abbasi, E-mail: fabbasi@sbu.ac.ir [Radiation Application Department, Shahid Beheshti University, Tehran (Iran, Islamic Republic of)

    2015-01-26

    Pyroelectric crystals are used to produce high energy electron beams. We have derived a method to model electric potential generation on LiTaO{sub 3} crystal during heating cycle. In this method, effect of heat transfer on the potential generation is investigated by some experiments. In addition, electron emission from the crystal surface is modeled by measurements and analysis. These spectral data are used to present a dynamic equation of electric potential with respect to thickness of the crystal and variation of its temperature. The dynamic equation's results for different thicknesses are compared with measured data. As a result, to attain more energetic electrons, best thickness of the crystals could be extracted from the equation. This allows for better understanding of pyroelectric crystals and help to study about current and energy of accelerated electrons.

  10. Strain-accelerated dynamics of soft colloidal glasses

    KAUST Repository

    Agarwal, Praveen

    2011-04-11

    We have investigated strain-accelerated dynamics of soft glasses theoretically and experimentally. Mechanical rheology measurements performed on a variety of systems reveal evidence for the speeding-up of relaxation at modest shear strains in both step and oscillatory shear flows. Using the soft glassy rheology (SGR) model framework, we show that the observed behavior is a fundamental, but heretofore unexplored attribute of soft glasses. © 2011 American Physical Society.

  11. Nonlinear dynamics in particle accelerators

    CERN Document Server

    Dilão, Rui

    1996-01-01

    This book is an introductory course to accelerator physics at the level of graduate students. It has been written for a large audience which includes users of accelerator facilities, accelerator physicists and engineers, and undergraduates aiming to learn the basic principles of construction, operation and applications of accelerators.The new concepts of dynamical systems developed in the last twenty years give the theoretical setting to analyse the stability of particle beams in accelerator. In this book a common language to both accelerator physics and dynamical systems is integrated and dev

  12. Vibrational dynamics of non-crystalline glassy alloys of non-crystalline glassy alloys

    Institute of Scientific and Technical Information of China (English)

    Aditya M.Vora

    2007-01-01

    The vibrational dynamics of three Ca-based non-crystalline alloys viz.Ca70Mg30,Ca70Zn30 and Ca60Al40have been studied at room temperature in terms of the phonon eigen frequencies of longitudinal and transverse modes,employing three theoretical formulations given by HubbardBeeby(HB),Takeno-Goda(TG)and Bhatia-Singh(BS).Five local field correction functions viz.Hartree(H),Taylor(T),Ichimaru-Utsumi(IU),Farid et al.(F)and Sarkar et al.(S)are used for the first time in the present investigation to study the screening influence on the aforesaid properties.The pseudo-alloy-atom(PAA)model is applied for the first time instead of Vegard's Law.Long wavelength limits of the phonon modes are used to investigate the elastic and thermal properties ofthe system.The low temperature specific heat is also calculated from the elastic limit of the phonon dispersion curves(PDCs).The present findings of the PDCs of Ca70Mg30 glass are found in fair agreement with available theoretical and experimental data.

  13. Direct visualization of photoinduced glassy dynamics on the amorphous silicon carbide surface by STM movies

    Science.gov (United States)

    Nguyen, Duc; Nienhaus, Lea; Haasch, Richard T.; Lyding, Joseph; Gruebele, Martin

    2015-03-01

    Glassy dynamics can be controlled by light irradiation. Sub- and above-bandgap irradiation cause numerous phenomena in glasses including photorelaxation, photoexpansion, photodarkening and pohtoinduced fluidity. We used scanning tunneling microscopy to study surface glassy dynamics of amorphous silicon carbide irradiated with above- bandgap 532 nm light. Surface clusters of ~ 4-5 glass forming unit in diameter hop mostly in a two-state fashion, both without and with irradiation. Upon irradiation, the average surface hopping activity increases by a factor of 3. A very long (~1 day) movie of individual clusters with varying laser power density provides direct evidence for photoinduced enhanced hopping on the glass surfaces. We propose two mechanisms: heating and electronic for the photoenhanced surface dynamics.

  14. Polymer chain dynamics in the glassy and melt states as studied by optical rheometry: Polystyrene

    Science.gov (United States)

    Verma, Ravi K.; Kornfield, Julia A.

    1998-03-01

    We have used rheooptical methods to study polymer chain dynamics in the glassy and melt states in narrow molecular weight fractions of polystyrene: mechanical shear stress and optical retardance were simultaneously monitored during oscillatory shear. The modified stress optical rule (MSOR) of Osaki and coworkers was used to separate glassy and rubbery contributions to overall shear modulus; master curves of these contributions, and of the total shear modulus, were generated via time temperature superposition. Our estimates for Me, Mc, and h0 are consistent with current literature. The rubbery modes shift more strongly with temperature than the glassy modes, giving rise to thermorheological complexity. The stress optic rule (SOR) is valid in the melt state, and invalid at higher frequencies close to the glass transition. We also discuss two new results from a molecular perspective: (1) The glassy contribution is thermorheologically complex at higher frequencies for all molecular weights. (2) The stress optic ratio (Cr, evaluated as the ratio of birefringence and shear stress at low frequencies in the melt state) decreases with temperature for high molecular weights (M > Mc), as predicted by the Rouse theory, but appears to increase with temperature for low molecular weights (M Mc).

  15. Accelerating abelian gauge dynamics

    CERN Document Server

    Adler, Stephen Louis

    1991-01-01

    In this paper, we suggest a new acceleration method for Abelian gauge theories based on linear transformations to variables which weight all length scales equally. We measure the autocorrelation time for the Polyakov loop and the plaquette at β=1.0 in the U(1) gauge theory in four dimensions, for the new method and for standard Metropolis updates. We find a dramatic improvement for the new method over the Metropolis method. Computing the critical exponent z for the new method remains an important open issue.

  16. Glassy dynamics of Brownian particles with velocity-dependent friction

    Science.gov (United States)

    Yazdi, Anoosheh; Sperl, Matthias

    2016-09-01

    We consider a two-dimensional model system of Brownian particles in which slow particles are accelerated while fast particles are damped. The motion of the individual particles is described by a Langevin equation with Rayleigh-Helmholtz velocity-dependent friction. In the case of noninteracting particles, the time evolution equations lead to a non-Gaussian velocity distribution. The velocity-dependent friction allows negative values of the friction or energy intakes by slow particles, which we consider active motion, and also causes breaking of the fluctuation dissipation relation. Defining the effective temperature proportional to the second moment of velocity, it is shown that for a constant effective temperature the higher the noise strength, the lower the number of active particles in the system. Using the Mori-Zwanzig formalism and the mode-coupling approximation, the equations of motion for the density autocorrelation function are derived. The equations are solved using the equilibrium structure factors. The integration-through-transients approach is used to derive a relation between the structure factor in the stationary state considering the interacting forces, and the conventional equilibrium static structure factor.

  17. Glassy protein dynamics and gigantic solvent reorganization energy of plastocyanin

    CERN Document Server

    LeBard, David N

    2007-01-01

    We report the results of Molecular Dynamics simulations of electron transfer activation parameters of plastocyanin metalloprotein involved as electron carrier in natural photosynthesis. We have discovered that slow, non-ergodic conformational fluctuations of the protein, coupled to hydrating water, result in a very broad distribution of donor-acceptor energy gaps far exceeding that observed for commonly studied inorganic and organic donor-acceptor complexes. The Stokes shift is not affected by these fluctuations and can be calculated from solvation models in terms of the response of the solvent dipolar polarization. The non-ergodic character of large-amplitude protein/water mobility breaks the strong link between the Stokes shift and reorganization energy characteristic of equilibrium (ergodic) theories of electron transfer. This mechanism might be responsible for low activation barriers in natural electron transfer proteins characterized by low reaction free energy.

  18. Origin of end-of-aging and subaging scaling behavior in glassy dynamics

    DEFF Research Database (Denmark)

    Sibani, Paolo; Kenning, Gregory G.

    2010-01-01

    the field change. The response curve obtained for different values of $t_w$ are  usually collapsed using  values of  $\\mu$  slightly below  one, a scaling behavior generally known as \\emph{sub-aging}.    Recent spin glass Thermoremanent Magnetization experiments have  shown that  the value of $\\mu......-aging and end of aging behavior in glassy dynamics. The mechanism  combines real  and configuration space properties of the  state produced by the initial thermal quench which initiates the aging process....

  19. Glassy Dynamics in Disordered Electronic Systems Reveal Striking Thermal Memory Effects

    Science.gov (United States)

    Eisenbach, A.; Havdala, T.; Delahaye, J.; Grenet, T.; Amir, A.; Frydman, A.

    2016-09-01

    Memory is one of the unique qualities of a glassy system. The relaxation of a glass to equilibrium contains information on the sample's excitation history, an effect often refer to as "aging." We demonstrate that under the right conditions a glass can also possess a different type of memory. We study the conductance relaxation of electron glasses that are fabricated at low temperatures. Remarkably, the dynamics are found to depend not only on the ambient measurement temperature but also on the maximum temperature to which the system was exposed. Hence the system "remembers" its highest temperature. This effect may be qualitatively understood in terms of energy barriers and local minima in configuration space and therefore may be a general property of the glass state.

  20. Confinement-Induced Glassy Dynamics in a Model for Chromosome Organization

    Science.gov (United States)

    Kang, Hongsuk; Yoon, Young-Gui; Thirumalai, D.; Hyeon, Changbong

    2015-11-01

    Recent experiments showing scaling of the intrachromosomal contact probability, P (s )˜s-1 with the genomic distance s , are interpreted to mean a self-similar fractal-like chromosome organization. However, scaling of P (s ) varies across organisms, requiring an explanation. We illustrate dynamical arrest in a highly confined space as a discriminating marker for genome organization, by modeling chromosomes inside a nucleus as a homopolymer confined to a sphere of varying sizes. Brownian dynamics simulations show that the chain dynamics slows down as the polymer volume fraction (ϕ ) inside the confinement approaches a critical value ϕc. The universal value of ϕc∞≈0.44 for a sufficiently long polymer (N ≫1 ) allows us to discuss genome dynamics using ϕ as the sole parameter. Our study shows that the onset of glassy dynamics is the reason for the segregated chromosome organization in humans (N ≈3 ×109, ϕ ≳ϕc∞), whereas chromosomes of budding yeast (N ≈108, ϕ <ϕc∞) are equilibrated with no clear signature of such organization.

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

    Science.gov (United States)

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

    2012-02-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-01-01

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

  3. Spinodals with Disorder: From Avalanches in Random Magnets to Glassy Dynamics

    Science.gov (United States)

    Nandi, Saroj Kumar; Biroli, Giulio; Tarjus, Gilles

    2016-04-01

    We revisit the phenomenon of spinodals in the presence of quenched disorder and develop a complete theory for it. We focus on the spinodal of an Ising model in a quenched random field (RFIM), which has applications in many areas from materials to social science. By working at zero temperature in the quasistatically driven RFIM, thermal fluctuations are eliminated and one can give a rigorous content to the notion of spinodal. We show that the latter is due to the depinning and the subsequent expansion of rare droplets. We work out the associated critical behavior, which, in any finite dimension, is very different from the mean-field one: the characteristic length diverges exponentially and the thermodynamic quantities display very mild nonanalyticities much like in a Griffith phenomenon. From the recently established connection between the spinodal of the RFIM and glassy dynamics, our results also allow us to conclusively assess the physical content and the status of the dynamical transition predicted by the mean-field theory of glass-forming liquids.

  4. Glassy dynamics of model colloidal polymers: The effect of "monomer" size

    Science.gov (United States)

    Li, Jian; Zhang, Bo-kai; Li, Hui-shu; Chen, Kang; Tian, Wen-de; Tong, Pei-qing

    2016-05-01

    In recent years, attempts have been made to assemble colloidal particles into chains, which are termed "colloidal polymers." An apparent difference between molecular and colloidal polymers is the "monomer" size. Here, we propose a model to represent the variation from molecular polymer to colloidal polymer and study the quantitative differences in their glassy dynamics. For chains, two incompatible local length scales, i.e., monomer size and bond length, are manifested in the radial distribution function and intramolecular correlation function. The mean square displacement of monomers exhibits Rouse-like sub-diffusion at intermediate time/length scale and the corresponding exponent depends on the volume fraction and the monomer size. We find that the threshold volume fraction at which the caging regime emerges can be used as a rescaling unit so that the data of localization length versus volume fraction for different monomer sizes can gather close to an exponential curve. The increase of monomer size effectively increases the hardness of monomers and thus makes the colloidal polymers vitrify at lower volume fraction. Static and dynamic equivalences between colloidal polymers of different monomer sizes have been discussed. In the case of having the same peak time of the non-Gaussian parameter, the motion of monomers of larger size is much less non-Gaussian. The mode-coupling critical exponents for colloidal polymers are in agreement with that of flexible bead-spring chains.

  5. Cytochrome C Dynamics at Gold and Glassy Carbon Surfaces Monitored by in Situ Scanning Tunnel Microscopy

    DEFF Research Database (Denmark)

    Andersen, Jens Enevold Thaulov; Møller, Per; Pedersen, Marianne Vind;

    1995-01-01

    composite structures of about 50 nm lateral extension at gold surfaces. The aggregates evolve in time, and structures resembling individual cyt c molecules can be distinguished in the space between the 50 nm structures. Cyt c aggregates also form at glassy carbon but have a different, unbroken character...

  6. The Modern Temperature-Accelerated Dynamics Approach.

    Science.gov (United States)

    Zamora, Richard J; Uberuaga, Blas P; Perez, Danny; Voter, Arthur F

    2016-06-07

    Accelerated molecular dynamics (AMD) is a class of MD-based methods used to simulate atomistic systems in which the metastable state-to-state evolution is slow compared with thermal vibrations. Temperature-accelerated dynamics (TAD) is a particularly efficient AMD procedure in which the predicted evolution is hastened by elevating the temperature of the system and then recovering the correct state-to-state dynamics at the temperature of interest. TAD has been used to study various materials applications, often revealing surprising behavior beyond the reach of direct MD. This success has inspired several algorithmic performance enhancements, as well as the analysis of its mathematical framework. Recently, these enhancements have leveraged parallel programming techniques to enhance both the spatial and temporal scaling of the traditional approach. We review the ongoing evolution of the modern TAD method and introduce the latest development: speculatively parallel TAD.

  7. Quasielastic neutron scattering measurements of fast process and methyl group dynamics in glassy poly(vinyl acetate)

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Chuhong [Department of Chemistry, School of Engineering and Physical Sciences, Heriot-Watt University, Midlothian, Scotland, Edinburgh, EH14 4AS (United Kingdom); Arrighi, Valeria [Department of Chemistry, School of Engineering and Physical Sciences, Heriot-Watt University, Midlothian, Scotland, Edinburgh, EH14 4AS (United Kingdom)], E-mail: v.arrighi@hw.ac.uk; Gagliardi, Simona [Department of Chemistry, School of Engineering and Physical Sciences, Heriot-Watt University, Midlothian, Scotland, Edinburgh, EH14 4AS (United Kingdom); McEwen, Iain J. [Department of Chemistry, School of Engineering and Physical Sciences, Heriot-Watt University, Midlothian, Scotland, Edinburgh, EH14 4AS (United Kingdom); Tanchawanich, Jeerachada [Department of Chemistry, School of Engineering and Physical Sciences, Heriot-Watt University, Midlothian, Scotland, Edinburgh, EH14 4AS (United Kingdom); Telling, Mark T.F. [ISIS, Rutherford Appleton Laboratory, Chilton, Didcot, OX11 OQX (United Kingdom); Zanotti, J.-M. [Laboratoire Leon Brillouin (CEA-CNRS), CEA Saclay, 91191Gif-sur-Yvette Cedex (France)

    2006-09-29

    The dynamics of poly(vinyl acetate) (PVAc) in the glassy state has been investigated using a range of neutron spectrometers, sampling complementary energy and momentum transfer ranges. By combining the analysis of elastic window scan data at high resolution, medium resolution quasielastic neutron scattering (QENS) spectra and low resolution time-of-flight measurements we identify the molecular processes occurring in PVAc, below the polymer glass transition. Our QENS results are in agreement with the literature data for the methyl group rotation but we also find evidence for a fast process, with activation energy of 1.9 kJ/mol. Although the different instruments provide only limited dynamic information, we attempt to give a homogeneous description of molecular motion across the different energies and Q ranges.

  8. Accelerated Molecular Dynamics Simulations of Reactive Hydrocarbon Systems

    Energy Technology Data Exchange (ETDEWEB)

    Stuart, Steven J.

    2014-02-25

    The research activities in this project consisted of four different sub-projects. Three different accelerated dynamics techniques (parallel replica dynamics, hyperdynamics, and temperature-accelerated dynamics) were applied to the modeling of pyrolysis of hydrocarbons. In addition, parallel replica dynamics was applied to modeling of polymerization.

  9. Relationship between bond-breakage correlations and four-point correlations in heterogeneous glassy dynamics: Configuration changes and vibration modes

    Science.gov (United States)

    Shiba, Hayato; Kawasaki, Takeshi; Onuki, Akira

    2012-10-01

    We investigate the dynamic heterogeneities of glassy particle systems in the theoretical schemes of bond breakage and four-point correlation functions. In the bond-breakage scheme, we introduce the structure factor Sb(q,t) and the susceptibility χb(t) to detect the spatial correlations of configuration changes. Here χb(t) attains a maximum at t=tbmax as a function of time t, where the fraction of the particles with broken bonds φb(t) is about 1/2. In the four-point scheme, treating the structure factor S4(q,t) and the susceptibility χ4(t), we detect superpositions of the heterogeneity of bond breakage and that of thermal low-frequency vibration modes. While the former grows slowly, the latter emerges quickly to exhibit complex space-time behavior. In two dimensions, the vibration modes extending over the system yield significant contributions to the four-point correlations, which depend on the system size logarithmically. A maximum of χ4(t) is attained at t=t4max, where these two contributions become of the same order. As a result, t4max is considerably shorter than tbmax.

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

    Energy Technology Data Exchange (ETDEWEB)

    Appignanesi, G A; Rodriguez Fris, J A [Fisicoquimica, Departamento de Quimica, Universidad Nacional del Sur, Avenida Alem 1253, 8000 BahIa Blanca (Argentina); Seccion de Fisicoquimica, Instituto de Quimica de la Universidad Nacional del Sur, INQUISUR-UNS-CONICET, Universidad Nacional del Sur, Avenida Alem 1253, 8000 BahIa Blanca (Argentina)], E-mail: appignan@criba.edu.ar

    2009-05-20

    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 {alpha} 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 {alpha} 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)

  11. Ultraslow dynamics and stress relaxation in the aging of a soft glassy system

    OpenAIRE

    Ramos, Laurence; Cipelletti, Luca

    2001-01-01

    We use linear rheology and multispeckle dynamic light scattering (MDLS) to investigate the aging of a gel composed of multilamellar vesicles. Light scattering data indicate rearrangement of the gel through an unusual ultraslow ballistic motion. A dramatic slowdown of the dynamics with sample age $t_{w}$ is observed for both rheology and MDLS, the characteristic relaxation time scaling as $t_{w}^{\\mu}$. We find the same aging exponent $\\mu =0.78$ for both techniques, suggesting that they probe...

  12. Accelerated molecular dynamics simulations of protein folding.

    Science.gov (United States)

    Miao, Yinglong; Feixas, Ferran; Eun, Changsun; McCammon, J Andrew

    2015-07-30

    Folding of four fast-folding proteins, including chignolin, Trp-cage, villin headpiece and WW domain, was simulated via accelerated molecular dynamics (aMD). In comparison with hundred-of-microsecond timescale conventional molecular dynamics (cMD) simulations performed on the Anton supercomputer, aMD captured complete folding of the four proteins in significantly shorter simulation time. The folded protein conformations were found within 0.2-2.1 Å of the native NMR or X-ray crystal structures. Free energy profiles calculated through improved reweighting of the aMD simulations using cumulant expansion to the second-order are in good agreement with those obtained from cMD simulations. This allows us to identify distinct conformational states (e.g., unfolded and intermediate) other than the native structure and the protein folding energy barriers. Detailed analysis of protein secondary structures and local key residue interactions provided important insights into the protein folding pathways. Furthermore, the selections of force fields and aMD simulation parameters are discussed in detail. Our work shows usefulness and accuracy of aMD in studying protein folding, providing basic references in using aMD in future protein-folding studies.

  13. A cycling state that can lead to glassy dynamics in intracellular transport

    CERN Document Server

    Scholz, Monika; Weirich, Kimberly L; Scholz, Bjorn J; Tabei, S M Ali; Gardel, Margaret L; Dinner, Aaron R

    2016-01-01

    Power-law dwell times have been observed for molecular motors in living cells, but the origins of these trapped states are not known. We introduce a minimal model of motors moving on a two-dimensional network of filaments, and simulations of its dynamics exhibit statistics comparable to those observed experimentally. Analysis of the model trajectories, as well as experimental particle tracking data, reveals a state in which motors cycle unproductively at junctions of three or more filaments. We formulate a master equation for these junction dynamics and show that the time required to escape from this vortex-like state can account for the power-law dwell times. We identify trends in the dynamics with the motor valency for further experimental validation. We demonstrate that these trends exist in individual trajectories of myosin II on an actin network. We discuss how cells could regulate intracellular transport and, in turn, biological function, by controlling their cytoskeletal network structures locally.

  14. Glassy dynamics and physical aging in fucose saccharides as studied by infrared- and broadband dielectric spectroscopy.

    Science.gov (United States)

    Kossack, Wilhelm; Adrjanowicz, Karolina; Tarnacka, Magdalena; Kipnusu, Wycliffe Kiprop; Dulski, Mateusz; Mapesa, Emmanuel Urandu; Kaminski, Kamil; Pawlus, Sebastian; Paluch, Marian; Kremer, Friedrich

    2013-12-21

    Fourier Transform Infra Red (FTIR) and Broadband Dielectric Spectroscopy (BDS) are combined to study both the intra- and inter-molecular dynamics of two isomers of glass forming fucose, far below and above the calorimetric glass transition temperature, T(g). It is shown that the various IR-active vibrations exhibit in their spectral position and oscillator strength quite different temperature dependencies, proving their specific signature in the course of densification and glass formation. The coupling between intra- and inter molecular dynamics is exemplified by distinct changes in IR active ring vibrations far above the calorimetric glass transition temperature at about 1.16T(g), where the dynamic glass transition (α relaxation) and the secondary β relaxation merge. For physically annealed samples it is demonstrated that upon aging the different moieties show characteristic features as well, proving the necessity of atomistic descriptions beyond coarse-grained models.

  15. Positive role of glassy dynamics in finite-time optimization by threshold algorithms

    Science.gov (United States)

    Hasegawa, M.

    2011-01-01

    The optimization mechanism of threshold algorithms is investigated in the solving process of a random Euclidean traveling salesman problem. A series of computer experiments previously designed for simulated annealing is conducted with algorithms such as generalized simulated annealing. The results show that if the threshold function decays fast enough, a previous positive view of slow relaxation dynamics in finite-time optimization by simulated annealing is still applicable regardless of the algorithm. These dynamics work effectively as an optimizer at around an intermediate temperature, which can be identified by using the Deborah number.

  16. Unveiling Dimensionality Dependence of Glassy Dynamics: 2D Infinite Fluctuation Eclipses Inherent Structural Relaxation

    Science.gov (United States)

    Shiba, Hayato; Yamada, Yasunori; Kawasaki, Takeshi; Kim, Kang

    2016-12-01

    By using large-scale molecular dynamics simulations, the dynamics of two-dimensional (2D) supercooled liquids turns out to be dependent on the system size, while the size dependence is not pronounced in three-dimensional (3D) systems. It is demonstrated that the strong system-size effect in 2D amorphous systems originates from the enhanced fluctuations at long wavelengths which are similar to those of 2D crystal phonons. This observation is further supported by the frequency dependence of the vibrational density of states, consisting of the Debye approximation in the low-wave-number limit. However, the system-size effect in the intermediate scattering function becomes negligible when the length scale is larger than the vibrational amplitude. This suggests that the finite-size effect in a 2D system is transient and also that the structural relaxation itself is not fundamentally different from that in a 3D system. In fact, the dynamic correlation lengths estimated from the bond-breakage function, which do not suffer from those enhanced fluctuations, are not size dependent in either 2D or 3D systems.

  17. Influence of emittance on transverse dynamics of accelerated bunches in the plasma–dielectric wakefield accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Kniaziev, R.R., E-mail: rkniaziev@gmail.com [V.N. Karazin Kharkov National University, Kharkov (Ukraine); NSC Kharkov Institute of Physics and Technology, Kharkov (Ukraine); Sotnikov, G.V. [NSC Kharkov Institute of Physics and Technology, Kharkov (Ukraine)

    2016-09-01

    We study theoretically transverse dynamics of the bunch of charged particles with the finite emittance in the plasma–dielectric wakefield accelerator. Parameters of bunches are chosen the same as available from the 15 MeV Argonne Wakefield Accelerator beamline. The goal of the paper is to study the behavior of bunches of charged particles with different emittances while accelerating these bunches by wakefields in plasma–dielectric structures. Obtained results allow us to determine the limits of the emittance of the bunch where dynamics of the accelerated particles remains stable.

  18. Control of robot dynamics using acceleration control

    Science.gov (United States)

    Workman, G. L.; Prateru, S.; Li, W.; Hinman, Elaine

    1992-01-01

    Acceleration control of robotic devices can provide improvements to many space-based operations using flexible manipulators and to ground-based operations requiring better precision and efficiency than current industrial robots can provide. This paper reports on a preliminary study of acceleration measurement on robotic motion during parabolic flights on the NASA KC-135 and a parallel study of accelerations with and without gravity arising from computer simulated motions using TREETOPS software.

  19. Boson peak dynamics of glassy glucose studied by integrated terahertz-band spectroscopy

    Science.gov (United States)

    Kabeya, Mikitoshi; Mori, Tatsuya; Fujii, Yasuhiro; Koreeda, Akitoshi; Lee, Byoung Wan; Ko, Jae-Hyeon; Kojima, Seiji

    2016-12-01

    We performed terahertz time-domain spectroscopy, low-frequency Raman scattering, and Brillouin light scattering on vitreous glucose to investigate the boson peak (BP) dynamics. In the spectra of α (ν ) /ν2 [ α (ν ) is the absorption coefficient], the BP is clearly observed around 1.1 THz. Correspondingly, the complex dielectric constant spectra show a universal resonancelike behavior only below the BP frequency. As an analytical scheme, we propose the relative light-vibration coupling coefficient (RCC), which is obtainable from the combination of the far-infrared and Raman spectra. The RCC reveals that the infrared light-vibration coupling coefficient CIR(ν ) of the vitreous glucose behaves linearly on frequency which deviates from Taraskin's model of CIR(ν ) =A +B ν2 [S. N. Taraskin et al., Phys. Rev. Lett. 97, 055504 (2006), 10.1103/PhysRevLett.97.055504]. The linearity of CIR(ν ) might require modification of the second term of the model. The measured transverse sound velocity shows an apparent discontinuity with the flattened mode observed in the inelastic neutron scattering study [N. Violini et al., Phys. Rev. B 85, 134204 (2012), 10.1103/PhysRevB.85.134204] and suggests a coupling between the transverse acoustic and flattened modes.

  20. Spectral Ewald Acceleration of Stokesian Dynamics for polydisperse suspensions

    OpenAIRE

    Wang, Mu; Brady, John F.

    2015-01-01

    In this work we develop the Spectral Ewald Accelerated Stokesian Dynamics (SEASD), a novel computational method for dynamic simulations of polydisperse colloidal suspensions with full hydrodynamic interactions. SEASD is based on the framework of Stokesian Dynamics (SD) with extension to compressible solvents, and uses the Spectral Ewald (SE) method [Lindbo & Tornberg, J. Comput. Phys. 229 (2010) 8994] for the wave-space mobility computation. To meet the performance requirement of dynamic simu...

  1. Scanning transmission electron microscopy imaging dynamics at low accelerating voltages

    Energy Technology Data Exchange (ETDEWEB)

    Lugg, N.R. [School of Physics, University of Melbourne, Parkville, Victoria 3010 (Australia); Findlay, S.D. [Institute of Engineering Innovation, The University of Tokyo, Tokyo 116-0013 (Japan); Shibata, N. [Institute of Engineering Innovation, The University of Tokyo, Tokyo 116-0013 (Japan); PRESTO, Japan Science and Technology Agency, Saitama 332-0012 (Japan); Mizoguchi, T. [Institute of Industrial Science, The University of Tokyo, Tokyo 153-8505 (Japan); D' Alfonso, A.J. [School of Physics, University of Melbourne, Parkville, Victoria 3010 (Australia); Allen, L.J., E-mail: lja@unimelb.edu.au [School of Physics, University of Melbourne, Parkville, Victoria 3010 (Australia); Ikuhara, Y. [Institute of Engineering Innovation, The University of Tokyo, Tokyo 116-0013 (Japan); Nanostructures Research Laboratory, Japan Fine Ceramic Center, Nagoya 456-8587 (Japan); WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

    2011-07-15

    Motivated by the desire to minimize specimen damage in beam sensitive specimens, there has been a recent push toward using relatively low accelerating voltages (<100kV) in scanning transmission electron microscopy. To complement experimental efforts on this front, this paper seeks to explore the variations with accelerating voltage of the imaging dynamics, both of the channelling of the fast electron and of the inelastic interactions. High-angle annular-dark field, electron energy loss spectroscopic imaging and annular bright field imaging are all considered. -- Highlights: {yields} Both elastic and inelastic scattering in STEM are acceleration voltage dependent. {yields} HAADF, EELS and ABF imaging are assessed with a view to optimum imaging. {yields} Lower accelerating voltages improve STEM EELS contrast in very thin crystals. {yields} Higher accelerating voltages give better STEM EELS contrast in thicker crystals. {yields} At fixed resolution, higher accelerating voltage aids ABF imaging of light elements.

  2. Accelerated Monte Carlo by Embedded Cluster Dynamics

    Science.gov (United States)

    Brower, R. C.; Gross, N. A.; Moriarty, K. J. M.

    1991-07-01

    We present an overview of the new methods for embedding Ising spins in continuous fields to achieve accelerated cluster Monte Carlo algorithms. The methods of Brower and Tamayo and Wolff are summarized and variations are suggested for the O( N) models based on multiple embedded Z2 spin components and/or correlated projections. Topological features are discussed for the XY model and numerical simulations presented for d=2, d=3 and mean field theory lattices.

  3. On the Marginal Stability of Glassy Systems

    Science.gov (United States)

    Yan, Le; Baity-Jesi, Marco; Müller, Markus; Wyart, Matthieu

    2015-03-01

    In various glassy systems that are out of equilibrium, like spin glasses and granular packings, the dynamics appears to be critical: avalanches involving almost the whole system could happen. A recent conceptual breakthrough argues that such glassy systems sample the ensemble of marginal stable states, which inevitably results into critical dynamics. However, it is unclear how the marginal stability is dynamically guaranteed. We investigate this marginal stability assumption by studying specifically the critical athermal dynamics of the Sherrington-Kirkpatrick model. We discuss how a pseudo-gap in the density distribution of local fields characterizing the marginal stability arises dynamically.

  4. Relaxation dynamics and thermodynamic properties of glassy Tb0.5Sr0.5MnO3 single crystal

    Science.gov (United States)

    Nhalil, Hariharan; Elizabeth, Suja

    2017-03-01

    Single crystals of Tb0.5Sr0.5MnO3 were grown in an optical float zone furnace and their magnetic and thermodynamic properties were studied. Temperature dependent DC magnetization measurements at different fields show strong irreversibility below the magnetic anomaly at 44 K. The upward deviation from ideal CW behavior well above the transition temperature and its field independent nature are signatures of non-Griffiths phase. The origin non-Griffiths phase owe to competition between the antiferromagnetic and ferromagnetic Mn3+-Mn4+ interactions mediated through intervening oxygen. Further, 44 K transition is confirmed as a magnetic glassy transition. The estimated dynamical spin flip time (τ0=2.11(3)×10-14 s) and zν(9.3(2)) values fall into the range of typical spin-glass systems. Detailed memory and temperature cycling relaxation measurements were performed and support the Hierarchical relaxation model. Low-temperature specific heat data displays a linear term, identifying the glassy magnetic phase contribution.

  5. FPGA Acceleration by Dynamically-Loaded Hardware Libraries

    DEFF Research Database (Denmark)

    Lomuscio, Andrea; Nannarelli, Alberto; Re, Marco

    Hardware acceleration is a viable solution to obtain energy efficiency in data intensive computation. In this work, we present a hardware framework to dynamically load hardware libraries, HLL, on reconfigurable platforms (FPGAs). Provided a library of application-specific processors, we load on......-the-y the speciffic processor in the FPGA, and we transfer the execution from the CPU to the FPGA-based accelerator. Results show that significant speed-up and energy efficiency can be obtained by HLL acceleration on system-on-chips where reconfigurable fabric is placed next to the CPUs....

  6. Observation of the nearly constant loss in super rigid saccharides: in search of a hidden crossover in dynamics deep in the glassy state.

    Science.gov (United States)

    Kaminska, Ewa; Tarnacka, Magdalena; Madejczyk, Olga; Chrobok, Anna; Kaminski, Kamil; Paluch, Marian

    2016-04-07

    The molecular dynamics of three saccharides: D-glucose, 1,6-anhydro-D-glucose (levoglucosan) and 1,6:2,3-dianhydro-β-D-mannopyranose of various degrees of freedom, number of hydroxyl groups and internal structures was investigated over a wide range of temperatures and frequencies by means of Broadband Dielectric Spectroscopy (BDS). Despite the pronounced variety in the physicochemical properties of the carbohydrates, no change in the shape of the structural relaxation process was observed in the vicinity of the glass transition temperature (β(KWW) = 0.5). On the other hand further studies of the Debye-Stokes-Einstein relationship between dc conductivity and structural dynamics revealed some significant changes connected with the ability to form strong H-bonded structures. Moreover the presence of nearly constant loss (NCL) at moderate frequencies and just below the T(g) in the glassy state of levoglucosan and 1,6:2,3-dianhydro-β-D-mannopyranose was noticeable. We followed the temperature evolution of ε'' located at frequencies f = 0.1 kHz and f = 1 kHz, where the NCL is detected. Interestingly, a clear change in the dynamics far below the glass transition was observed in both compounds. This crossover (T(c)), found in different materials, and studied by various experimental techniques, is usually interpreted as being caused by the freezing of the Johari-Goldstein (JG) relaxation process. Alternatively it can also be due to the increasing anharmonicity in the density of vibrational states. Interestingly, it was shown that the slope of ε''(T) measured above the T(c) slightly changes while below the T(c) stays constant after physical aging. This is related to the densification of the sample that might result in steric hindrance and suppression of some kind of motion occurring in the glassy state, involving the larger parts of the molecules.

  7. Two Glass Transitions Associated to Different Dynamic Disorders in the Nematic Glassy State of a Non-Symmetric Liquid Crystal Dimer Dopped with g-Alumina Nanoparticles

    Directory of Open Access Journals (Sweden)

    Sergio Diez-Berart

    2015-06-01

    Full Text Available In the present work, the nematic glassy state of the non-symmetric LC dimer α-(4-cyanobiphenyl-4′-yloxy-ω-(1-pyrenimine-benzylidene-4′-oxy undecane is studied by means of calorimetric and dielectric measurements. The most striking result of the work is the presence of two different glass transition temperatures: one due to the freezing of the flip-flop motions of the bulkier unit of the dimer and the other, at a lower temperature, related to the freezing of the flip-flop and precessional motions of the cyanobiphenyl unit. This result shows the fact that glass transition is the consequence of the freezing of one or more coupled dynamic disorders and not of the disordered phase itself. In order to avoid crystallization when the bulk sample is cooled down, the LC dimer has been confined via the dispersion of γ-alumina nanoparticles, in several concentrations.

  8. Laser fields in dynamically ionized plasma structures for coherent acceleration

    CERN Document Server

    Luu-Thanh, Ph.; Pukhov, A.; Kostyukov, I.

    2015-01-01

    With the emergence of the CAN (Coherent Amplification Network) laser technology, a new scheme for direct particle acceleration in periodic plasma structures has been proposed. By using our full electromagnetic relativistic particle-in-cell (PIC) simulation code equipped with ionisation module, we simulate the laser fields dynamics in the periodic structures of different materials. We study how the dynamic ionization influences the field structure.

  9. Spin dynamics in storage rings and linear accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Irwin, J.

    1994-04-01

    The purpose of these lectures is to survey the subject of spin dynamics in accelerators: to give a sense of the underlying physics, the typical analytic and numeric methods used, and an overview of results achieved. Consideration will be limited to electrons and protons. Examples of experimental and theoretical results in both linear and circular machines are included.

  10. Dynamics of Kicked and Accelerated Massive Black Holes in Galaxies

    CERN Document Server

    Kornreich, David A

    2008-01-01

    A study is made of the behavior of massive black holes in disk galaxies that have received an impulsive kick from a merger or a sustained acceleration from an asymmetric jet. The motion of the gas, stars, dark matter, and massive black hole are calculated using the GADGET-2 simulation code. The massive black hole escapes the galaxy for kick velocities above about 600 km/s or accelerations above about 4*10^{-8} cm/s^2 over time-scales of the order of 10^8 yr. For smaller velocity kicks or smaller accelerations, the black hole oscillates about the center of mass with a frequency which decreases as the kick velocity or acceleration increases. The black hole displacements may give rise to observable nonaxisymmetries in the morphology and dynamics of the stellar and gaseous disk of the galaxy. In some cases the dynamical center of the galaxy is seen to be displaced towards the direction of the BH acceleration with a characteristic ``tongue--'' shaped extension of the velocity contours on the side of the galaxy opp...

  11. Accelerating Dynamic Cardiac MR Imaging Using Structured Sparse Representation

    Directory of Open Access Journals (Sweden)

    Nian Cai

    2013-01-01

    Full Text Available Compressed sensing (CS has produced promising results on dynamic cardiac MR imaging by exploiting the sparsity in image series. In this paper, we propose a new method to improve the CS reconstruction for dynamic cardiac MRI based on the theory of structured sparse representation. The proposed method user the PCA subdictionaries for adaptive sparse representation and suppresses the sparse coding noise to obtain good reconstructions. An accelerated iterative shrinkage algorithm is used to solve the optimization problem and achieve a fast convergence rate. Experimental results demonstrate that the proposed method improves the reconstruction quality of dynamic cardiac cine MRI over the state-of-the-art CS method.

  12. Dynamics of hydrogen-like atom bounded by maximal acceleration

    CERN Document Server

    Friedman, Yaakov

    2012-01-01

    The existence of a maximal acceleration for massive objects was conjectured by Caianiello 30 years ago based on the Heisenberg uncertainty relations. Many consequences of this hypothesis have been studied, but until now, there has been no evidence that boundedness of the acceleration may lead to quantum behavior. In previous research, we predicted the existence of a universal maximal acceleration and developed a new dynamics for which all admissible solutions have an acceleration bounded by the maximal one. Based on W. K\\"{u}ndig's experiment, as reanalyzed by Kholmetskii et al, we estimated its value to be of the order $10^{19}m/s^2$. We present here a solution of our dynamical equation for a classical hydrogen-like atom and show that this dynamics leads to some aspects of quantum behavior. We show that the position of an electron in a hydrogen-like atom can be described only probabilistically. We also show that in this model, the notion of "center of mass" must be modified. This modification supports the no...

  13. Stochastic Dynamics of Infrared Fluctuations in Accelerating Universe

    CERN Document Server

    Cho, Gihyuk; Kitamoto, Hiroyuki

    2015-01-01

    We extend investigations of infrared dynamics in accelerating universes. In the presence of massless and minimally coupled scalar fields, physical quantities may acquire growing time dependences through quantum fluctuations at super-horizon scales. From a semiclassical viewpoint, it was proposed that such infrared effects are described by a Langevin equation. In de Sitter space, the stochastic approach has been proved to be equivalent to resummation of the growing time dependences at the leading power. In this paper, we make the resummation derivation of the Langevin equation in a general accelerating universe. We first consider an accelerating universe whose slow-roll parameter is constant, and then extend the background as the slow-roll parameter becomes time dependent. The resulting Langevin equation contains a white noise term and the coefficient of each term is modified by the slow-roll parameter. Furthermore we find that the semiclassical description of the scalar fields leads to the same stochastic equ...

  14. Enhancing protein adsorption simulations by using accelerated molecular dynamics.

    Directory of Open Access Journals (Sweden)

    Christian Mücksch

    Full Text Available The atomistic modeling of protein adsorption on surfaces is hampered by the different time scales of the simulation ([Formula: see text][Formula: see text]s and experiment (up to hours, and the accordingly different 'final' adsorption conformations. We provide evidence that the method of accelerated molecular dynamics is an efficient tool to obtain equilibrated adsorption states. As a model system we study the adsorption of the protein BMP-2 on graphite in an explicit salt water environment. We demonstrate that due to the considerably improved sampling of conformational space, accelerated molecular dynamics allows to observe the complete unfolding and spreading of the protein on the hydrophobic graphite surface. This result is in agreement with the general finding of protein denaturation upon contact with hydrophobic surfaces.

  15. Spectral Ewald Acceleration of Stokesian Dynamics for polydisperse suspensions

    CERN Document Server

    Wang, Mu

    2015-01-01

    In this work we develop the Spectral Ewald Accelerated Stokesian Dynamics (SEASD), a novel computational method for dynamic simulations of polydisperse colloidal suspensions with full hydrodynamic interactions. SEASD is based on the framework of Stokesian Dynamics (SD) with extension to compressible solvents, and uses the Spectral Ewald (SE) method [Lindbo & Tornberg, J. Comput. Phys. 229 (2010) 8994] for the wave-space mobility computation. To meet the performance requirement of dynamic simulations, we use Graphic Processing Units (GPU) to evaluate the suspension mobility, and achieve an order of magnitude speedup compared to a CPU implementation. For further speedup, we develop a novel far-field block-diagonal preconditioner to reduce the far-field evaluations in the iterative solver, and SEASD-nf, a polydisperse extension of the mean-field Brownian approximation of Banchio & Brady [J. Chem. Phys. 118 (2003) 10323]. We extensively discuss implementation and parameter selection strategies in SEASD, a...

  16. Glassy features of crystal plasticity

    Science.gov (United States)

    Lehtinen, Arttu; Costantini, Giulio; Alava, Mikko J.; Zapperi, Stefano; Laurson, Lasse

    2016-08-01

    Crystal plasticity occurs by deformation bursts due to the avalanchelike motion of dislocations. Here we perform extensive numerical simulations of a three-dimensional dislocation dynamics model under quasistatic stress-controlled loading. Our results show that avalanches are power-law distributed and display peculiar stress and sample size dependence: The average avalanche size grows exponentially with the applied stress, and the amount of slip increases with the system size. These results suggest that intermittent deformation processes in crystalline materials exhibit an extended critical-like phase in analogy to glassy systems instead of originating from a nonequilibrium phase transition critical point.

  17. GPU accelerated dynamic functional connectivity analysis for functional MRI data.

    Science.gov (United States)

    Akgün, Devrim; Sakoğlu, Ünal; Esquivel, Johnny; Adinoff, Bryon; Mete, Mutlu

    2015-07-01

    Recent advances in multi-core processors and graphics card based computational technologies have paved the way for an improved and dynamic utilization of parallel computing techniques. Numerous applications have been implemented for the acceleration of computationally-intensive problems in various computational science fields including bioinformatics, in which big data problems are prevalent. In neuroimaging, dynamic functional connectivity (DFC) analysis is a computationally demanding method used to investigate dynamic functional interactions among different brain regions or networks identified with functional magnetic resonance imaging (fMRI) data. In this study, we implemented and analyzed a parallel DFC algorithm based on thread-based and block-based approaches. The thread-based approach was designed to parallelize DFC computations and was implemented in both Open Multi-Processing (OpenMP) and Compute Unified Device Architecture (CUDA) programming platforms. Another approach developed in this study to better utilize CUDA architecture is the block-based approach, where parallelization involves smaller parts of fMRI time-courses obtained by sliding-windows. Experimental results showed that the proposed parallel design solutions enabled by the GPUs significantly reduce the computation time for DFC analysis. Multicore implementation using OpenMP on 8-core processor provides up to 7.7× speed-up. GPU implementation using CUDA yielded substantial accelerations ranging from 18.5× to 157× speed-up once thread-based and block-based approaches were combined in the analysis. Proposed parallel programming solutions showed that multi-core processor and CUDA-supported GPU implementations accelerated the DFC analyses significantly. Developed algorithms make the DFC analyses more practical for multi-subject studies with more dynamic analyses.

  18. Beam dynamics design for uranium drift tube linear accelerator

    Science.gov (United States)

    Dou, Wei-Ping; He, Yuan; Lu, Yuan-Rong

    2014-07-01

    KONUS beam dynamics design of uranium DTL with LORASR code is presented. The 238U34+ beam, whose current is 5.0 emA, is accelerated from injection energy of 0.35 MeV/u to output energy of 1.30 MeV/u by IH-DTL operated at 81.25 MHz in HIAF project at IMP of CAS. It achieves a transmission efficiency of 94.95% with a cavity length of 267.8 cm. The optimization aims are the reduction of emittance growth, beam loss and project costs. Because of the requirements of CW mode operation, the designed average acceleration gradient is about 2.48 MV/m. The maximum axial field is 10.2 MV/m, meanwhile the Kilpatrick breakdown field is 10.56 MV/m at 81.25 MHz.

  19. Radio Frequency Station - Beam Dynamics Interaction in Circular Accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Mastoridis, Themistoklis [Stanford Univ., CA (United States)

    2010-08-01

    The longitudinal beam dynamics in circular accelerators is mainly defined by the interaction of the beam current with the accelerating Radio Frequency (RF) stations. For stable operation, Low Level RF (LLRF) feedback systems are employed to reduce coherent instabilities and regulate the accelerating voltage. The LLRF system design has implications for the dynamics and stability of the closed-loop RF systems as well as for the particle beam, and is very sensitive to the operating range of accelerator currents and energies. Stability of the RF loop and the beam are necessary conditions for reliable machine operation. This dissertation describes theoretical formalisms and models that determine the longitudinal beam dynamics based on the LLRF implementation, time domain simulations that capture the dynamic behavior of the RF station-beam interaction, and measurements from the Positron-Electron Project (PEP-II) and the Large Hadron Collider (LHC) that validate the models and simulations. These models and simulations are structured to capture the technical characteristics of the system (noise contributions, non-linear elements, and more). As such, they provide useful results and insight for the development and design of future LLRF feedback systems. They also provide the opportunity to study diverse longitudinal beam dynamics effects such as coupled-bunch impedance driven instabilities and single bunch longitudinal emittance growth. Coupled-bunch instabilities and RF station power were the performance limiting effects for PEP-II. The sensitivity of the instabilities to individual LLRF parameters, the effectiveness of alternative operational algorithms, and the possible tradeoffs between RF loop and beam stability were studied. New algorithms were implemented, with significant performance improvement leading to a world record current during the last PEP-II run of 3212 mA for the Low Energy Ring. Longitudinal beam emittance growth due to RF noise is a major concern for LHC

  20. Glassy metallic plastics

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    This paper reports a class of bulk metallic glass including Ce-, LaCe-, CaLi-, Yb-, and Sr-based metallic glasses, which are regarded as glassy metallic plastics because they combine some unique properties of both plastics and metallic alloys. These glassy metallic plastics have very low glass transition temperature (Tg~25oC to 150oC) and low Young’s modulus (~20 GPa to 35 GPa). Similar to glassy plastics, these metallic plastics show excellent plastic-like deformability on macro-, micro- and even nano-scale in their supercooled liquid range and can be processed, such as elongated, compressed, bent, and imprinted at low temperatures, in hot water for instance. Under ambient conditions, they display such metallic properties as high thermal and electric conductivities and excellent mechanical properties and other unique properties. The metallic plastics have potential applications and are also a model system for studying issues in glass physics.

  1. Glassy behavior in magnetic fine particles

    CERN Document Server

    Muro, M G D; Labarta, A

    2000-01-01

    A detailed study of the static and dynamic magnetic properties of nanocrystalline barium hexaferrite powder was done. Particles of about 10 nm diameter exhibit the main features attributed to glassy behavior. Different results make evident the presence of strong interactions in the studied system. This glassy state is mostly attributed to the frustration induced by magnetic interactions between randomly distributed particles, although the surface spins contribution cannot be discarded. The effective energy barrier distribution obtained from the analysis of the time dependence of the thermoremanence in terms of the T ln (t/tau sub 0) scaling shows a maximum located at energies higher than the mean anisotropy energy barrier. When doing the relaxation experiments after field cooling at increasing fields, the obtained effective energy distribution progressively resembles the anisotropy energy distribution. Therefore, we demonstrate how the glassy state can be erased by applying a magnetic field.

  2. 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...... the influence of spectral properties and dimensionality of the molecular system on the algorithm efficiency. We test two algorithms, the MinMax and Lanczos, for spectral estimation from an MD trajectory, and use this to derive a practical scheme of time step adaptation in MD relaxation algorithms to improve...

  3. Beam Dynamics Studies for a Laser Acceleration Experiment

    CERN Document Server

    Spencer, James; Noble, Robert; Palmer, Dennis T; Siemann, Robert

    2005-01-01

    The NLC Test Accelerator at SLAC was built to address various beam dynamics issues for the Next Linear Collider. An S-Band RF gun, originally proposed for the NLCTA, is being installed together with a large-angle extraction line at 60 MeV. This is followed by a matching section, final focus and buncher for the laser acceleration experiment, E163. The laser-electron interaction area is followed by a broad range, high resolution spectrometer (HES) for electron bunch analysis. The RF gun is discussed in another paper. We discuss only the beam dynamics and high resolution analysis system at 6 MeV based on using Parmela and high-order Transport for bunch charges from 50 pC to 1 nC. Beyond the diagnostics, this system uses the emittance compensating solenoids and a low energy, high resolution spectrometer (LES) to help tune for best operating point and match to the linac. Optical symmetries in the design of the 25.5° extraction line provide 1:1 phase space transfer without linear dispersion or use of sextu...

  4. The Acceleration Scale, Modified Newtonian Dynamics, and Sterile Neutrinos

    CERN Document Server

    Diaferio, Antonaldo

    2012-01-01

    General Relativity is able to describe the dynamics of galaxies and larger cosmic structures only if most of the matter in the Universe is dark, namely it does not emit any electromagnetic radiation. Intriguingly, on the scale of galaxies, there is strong observational evidence that the presence of dark matter appears to be necessary only when the gravitational field inferred from the distribution of the luminous matter falls below an acceleration of the order of 10^(-10) m/s^2. In the standard model, which combines Newtonian gravity with dark matter, the origin of this acceleration scale is challenging and remains unsolved. On the contrary, the full set of observations can be neatly described, and were partly predicted, by a modification of Newtonian dynamics, dubbed MOND, that does not resort to the existence of dark matter. On the scale of galaxy clusters and beyond, however, MOND is not as successful as on the scale of galaxies, and the existence of some dark matter appears unavoidable. A model combining ...

  5. Charge transport and glassy dynamics of poly(ethylene oxide)-based single-ion conductors under geometrical confinement

    Science.gov (United States)

    Runt, James; Iacob, Ciprian

    2015-03-01

    Segmental and local dynamics as well as charge transport are investigated in a series of poly(ethylene oxide)-based single-ion conductors (ionomers) with varying counterions (Li +, Na +) confined in uni-directional nanoporous silica membranes. The dynamics are explored over a wide frequency and temperature range by broadband dielectric relaxation spectroscopy. Slowing of segmental dynamics and a decrease in dc conductivity (strongly coupled with segmental relaxation) of the confined ionomers are associated with surface effects - resulting from interfacial hydrogen bonding between the host nanoporous silica membrane and the guest ionomers. These effects are significantly reduced or eliminated upon pore surface modification through silanization. The primary transport properties for the confined ionomers decrease by about one decade compared to the bulk ionomer. A model assuming reduced mobility of an adsorbed layer at the pore wall/ionomer interface is shown to provide a quantitative explanation for the decrease in effective transport quantities in non-silanized porous silica membranes. Additionally, the effect of confinement on ion aggregation in ionomers by using X-ray scattering will also be discussed. Supported by the National Science Foundation, Polymers Program.

  6. Accelerated molecular dynamics methods: introduction and recent developments

    Energy Technology Data Exchange (ETDEWEB)

    Uberuaga, Blas Pedro [Los Alamos National Laboratory; Voter, Arthur F [Los Alamos National Laboratory; Perez, Danny [Los Alamos National Laboratory; Shim, Y [UNIV OF TOLEDO; Amar, J G [UNIV OF TOLEDO

    2009-01-01

    reaction pathways may be important, we return instead to a molecular dynamics treatment, in which the trajectory itself finds an appropriate way to escape from each state of the system. Since a direct integration of the trajectory would be limited to nanoseconds, while we are seeking to follow the system for much longer times, we modify the dynamics in some way to cause the first escape to happen much more quickly, thereby accelerating the dynamics. The key is to design the modified dynamics in a way that does as little damage as possible to the probability for escaping along a given pathway - i.e., we try to preserve the relative rate constants for the different possible escape paths out of the state. We can then use this modified dynamics to follow the system from state to state, reaching much longer times than we could reach with direct MD. The dynamics within any one state may no longer be meaningful, but the state-to-state dynamics, in the best case, as we discuss in the paper, can be exact. We have developed three methods in this accelerated molecular dynamics (AMD) class, in each case appealing to TST, either implicitly or explicitly, to design the modified dynamics. Each of these methods has its own advantages, and we and others have applied these methods to a wide range of problems. The purpose of this article is to give the reader a brief introduction to how these methods work, and discuss some of the recent developments that have been made to improve their power and applicability. Note that this brief review does not claim to be exhaustive: various other methods aiming at similar goals have been proposed in the literature. For the sake of brevity, our focus will exclusively be on the methods developed by the group.

  7. Space charges can significantly affect the dynamics of accelerator maps

    Science.gov (United States)

    Bountis, Tassos; Skokos, Charalampos

    2006-10-01

    Space charge effects can be very important for the dynamics of intense particle beams, as they repeatedly pass through nonlinear focusing elements, aiming to maximize the beam's luminosity properties in the storage rings of a high energy accelerator. In the case of hadron beams, whose charge distribution can be considered as “frozen” within a cylindrical core of small radius compared to the beam's dynamical aperture, analytical formulas have been recently derived [C. Benedetti, G. Turchetti, Phys. Lett. A 340 (2005) 461] for the contribution of space charges within first order Hamiltonian perturbation theory. These formulas involve distribution functions which, in general, do not lead to expressions that can be evaluated in closed form. In this Letter, we apply this theory to an example of a charge distribution, whose effect on the dynamics can be derived explicitly and in closed form, both in the case of 2-dimensional as well as 4-dimensional mapping models of hadron beams. We find that, even for very small values of the “perveance” (strength of the space charge effect) the long term stability of the dynamics changes considerably. In the flat beam case, the outer invariant “tori” surrounding the origin disappear, decreasing the size of the beam's dynamical aperture, while beyond a certain threshold the beam is almost entirely lost. Analogous results in mapping models of beams with 2-dimensional cross section demonstrate that in that case also, even for weak tune depressions, orbital diffusion is enhanced and many particles whose motion was bounded now escape to infinity, indicating that space charges can impose significant limitations on the beam's luminosity.

  8. Space charges can significantly affect the dynamics of accelerator maps

    Energy Technology Data Exchange (ETDEWEB)

    Bountis, Tassos [Department of Mathematics, University of Patras, GR-26500 Patras (Greece) and Center for Research and Applications of Nonlinear Systems (CRANS), University of Patras, GR-26500 Patras (Greece)]. E-mail: tassos50@otenet.gr; Skokos, Charalampos [Center for Research and Applications of Nonlinear Systems (CRANS), University of Patras, GR-26500 Patras (Greece)

    2006-10-09

    Space charge effects can be very important for the dynamics of intense particle beams, as they repeatedly pass through nonlinear focusing elements, aiming to maximize the beam's luminosity properties in the storage rings of a high energy accelerator. In the case of hadron beams, whose charge distribution can be considered as 'frozen' within a cylindrical core of small radius compared to the beam's dynamical aperture, analytical formulas have been recently derived [C. Benedetti, G. Turchetti, Phys. Lett. A 340 (2005) 461] for the contribution of space charges within first order Hamiltonian perturbation theory. These formulas involve distribution functions which, in general, do not lead to expressions that can be evaluated in closed form. In this Letter, we apply this theory to an example of a charge distribution, whose effect on the dynamics can be derived explicitly and in closed form, both in the case of 2-dimensional as well as 4-dimensional mapping models of hadron beams. We find that, even for very small values of the 'perveance' (strength of the space charge effect) the long term stability of the dynamics changes considerably. In the flat beam case, the outer invariant 'tori' surrounding the origin disappear, decreasing the size of the beam's dynamical aperture, while beyond a certain threshold the beam is almost entirely lost. Analogous results in mapping models of beams with 2-dimensional cross section demonstrate that in that case also, even for weak tune depressions, orbital diffusion is enhanced and many particles whose motion was bounded now escape to infinity, indicating that space charges can impose significant limitations on the beam's luminosity.

  9. Coarse-graining scheme for simulating uniaxial stress-strain response of glassy polymers through molecular dynamics.

    Science.gov (United States)

    Majumder, Manoj K; S, Ramkumar; Mahajan, Dhiraj K; Basu, Sumit

    2010-01-01

    Simulation of the deformation of polymers below their glass transition through molecular dynamics provides an useful route to correlate their molecular architecture to deformation behavior. However, present computational capabilities severely restrict the time and length scales that can be simulated when detailed models of these macromolecules are used. Coarse-graining techniques for macromolecular structures intend to make bigger and longer simulations possible by grouping atoms into superatoms and devising ways of determining reasonable force fields for the superatoms in a manner that retains essential macromolecular features relevant to the process under study but jettisons unnecessary details. In this work we systematically develop a coarse-graining scheme aimed at simulating uniaxial stress-strain behavior of polymers below their glass transition. The scheme involves a two step process of obtaining the coarse grained force field parameters above glass transition. This seems to be enough to obtain "faithful" stress-strain responses after quenching to below the glass transition temperature. We apply the scheme developed to a commercially important polymer polystyrene, derive its complete force field parameters and thus demonstrate the effectiveness of the technique.

  10. The dynamics of climate-induced deglacial ice stream acceleration

    Science.gov (United States)

    Robel, A.; Tziperman, E.

    2015-12-01

    Geological observations indicate that ice streams were a significant contributor to ice flow in the Laurentide Ice Sheet during the Last Glacial Maximum. Conceptual and simple model studies have also argued that the gradual development of ice streams increases the sensitivity of large ice sheets to weak climate forcing. In this study, we use an idealized configuration of the Parallel Ice Sheet Model to explore the role of ice streams in rapid deglaciation. In a growing ice sheet, ice streams develop gradually as the bed warms and the margin expands outward onto the continental shelf. Then, a weak change in equilibrium line altitude commensurate with Milankovitch forcing results in a rapid deglacial response, as ice stream acceleration leads to enhanced calving and surface melting at low elevations. We explain the dynamical mechanism that drives this ice stream acceleration and its broader applicability as a feedback for enhancing ice sheet decay in response to climate forcing. We show how our idealized ice sheet simulations match geomorphological observations of deglacial ice stream variability and previous model-data analyses. We conclude with observations on the potential for interaction between ice streams and other feedback mechanisms within the earth system.

  11. Cooperative strings and glassy interfaces.

    Science.gov (United States)

    Salez, Thomas; Salez, Justin; Dalnoki-Veress, Kari; Raphaël, Elie; Forrest, James A

    2015-07-07

    We introduce a minimal theory of glass formation based on the ideas of molecular crowding and resultant string-like cooperative rearrangement, and address the effects of free interfaces. In the bulk case, we obtain a scaling expression for the number of particles taking part in cooperative strings, and we recover the Adam-Gibbs description of glassy dynamics. Then, by including thermal dilatation, the Vogel-Fulcher-Tammann relation is derived. Moreover, the random and string-like characters of the cooperative rearrangement allow us to predict a temperature-dependent expression for the cooperative length ξ of bulk relaxation. Finally, we explore the influence of sample boundaries when the system size becomes comparable to ξ. The theory is in agreement with measurements of the glass-transition temperature of thin polymer films, and allows quantification of the temperature-dependent thickness hm of the interfacial mobile layer.

  12. Trypsinogen activation as observed in accelerated molecular dynamics simulations.

    Science.gov (United States)

    Boechi, Leonardo; Pierce, Levi; Komives, Elizabeth A; McCammon, J Andrew

    2014-11-01

    Serine proteases are involved in many fundamental physiological processes, and control of their activity mainly results from the fact that they are synthetized in an inactive form that becomes active upon cleavage. Three decades ago Martin Karplus's group performed the first molecular dynamics simulations of trypsin, the most studied member of the serine protease family, to address the transition from the zymogen to its active form. Based on the computational power available at the time, only high frequency fluctuations, but not the transition steps, could be observed. By performing accelerated molecular dynamics (aMD) simulations, an interesting approach that increases the configurational sampling of atomistic simulations, we were able to observe the N-terminal tail insertion, a crucial step of the transition mechanism. Our results also support the hypothesis that the hydrophobic effect is the main force guiding the insertion step, although substantial enthalpic contributions are important in the activation mechanism. As the N-terminal tail insertion is a conserved step in the activation of serine proteases, these results afford new perspective on the underlying thermodynamics of the transition from the zymogen to the active enzyme.

  13. Improved scaling of temperature-accelerated dynamics using localization.

    Science.gov (United States)

    Shim, Yunsic; Amar, Jacques G

    2016-07-07

    While temperature-accelerated dynamics (TAD) is a powerful method for carrying out non-equilibrium simulations of systems over extended time scales, the computational cost of serial TAD increases approximately as N(3) where N is the number of atoms. In addition, although a parallel TAD method based on domain decomposition [Y. Shim et al., Phys. Rev. B 76, 205439 (2007)] has been shown to provide significantly improved scaling, the dynamics in such an approach is only approximate while the size of activated events is limited by the spatial decomposition size. Accordingly, it is of interest to develop methods to improve the scaling of serial TAD. As a first step in understanding the factors which determine the scaling behavior, we first present results for the overall scaling of serial TAD and its components, which were obtained from simulations of Ag/Ag(100) growth and Ag/Ag(100) annealing, and compare with theoretical predictions. We then discuss two methods based on localization which may be used to address two of the primary "bottlenecks" to the scaling of serial TAD with system size. By implementing both of these methods, we find that for intermediate system-sizes, the scaling is improved by almost a factor of N(1/2). Some additional possible methods to improve the scaling of TAD are also discussed.

  14. Accelerated Molecular Dynamics studies of He Bubble Growth in Tungsten

    Science.gov (United States)

    Uberuaga, Blas; Sandoval, Luis; Perez, Danny; Voter, Arthur

    2015-11-01

    Understanding how materials respond to extreme environments is critical for predicting and improving performance. In materials such as tungsten exposed to plasmas for nuclear fusion applications, novel nanoscale fuzzes, comprised of tendrils of tungsten, form as a consequence of the implantation of He into the near surface. However, the detailed mechanisms that link He bubble formation to the ultimate development of fuzz are unclear. Molecular dynamics simulations provide insight into the He implantation process, but are necessarily performed at implantation rates that are orders of magnitudes faster than experiment. Here, using accelerated molecular dynamics methods, we examine the role of He implantation rates on the physical evolution of He bubbles in tungsten. We find that, as the He rate is reduced, new types of events involving the response of the tungsten matrix to the pressure in the bubble become competitive and change the overall evolution of the bubble as well as the subsequent morphology of the tungsten surface. We have also examined how bubble growth differs at various microstructural features. These results highlight the importance of performing simulations at experimentally relevant conditions in order to correctly capture the contributions of the various significant kinetic processes and predict the overall response of the material.

  15. Glassy dynamics of convex polyhedra

    NARCIS (Netherlands)

    Tasios, Nikos; Gantapara, Anjan Prasad; Dijkstra, Marjolein

    2014-01-01

    Self-assembly of polyhedral-shaped particles has attracted huge interest with the advent of new synthesis methods that realize these faceted particles in the lab. Recent studies have shown that polyhedral-shaped particles exhibit a rich phase behavior by excluded volume interactions alone; some of t

  16. Dielectric and Thermodynamic Signatures of Low-Temperature Glassy Dynamics in the Hybrid Perovskites CH3NH3PbI3 and HC(NH2)2PbI3.

    Science.gov (United States)

    Fabini, Douglas H; Hogan, Tom; Evans, Hayden A; Stoumpos, Constantinos C; Kanatzidis, Mercouri G; Seshadri, Ram

    2016-02-04

    Hybrid main group halide perovskites hold great technological promise in optoelectronic applications and present rich and complex evolution of structure and dynamics. Here we present low-temperature dielectric measurements and calorimetry of APbI3 [A = CH3NH3(+), HC(NH2)2(+)] that suggest glassy behavior on cooling. In both compounds, the dielectric loss displays frequency-dependent peaks below 100 K characteristic of a glassy slowing of relaxation dynamics, with HC(NH2)2PbI3 exhibiting greater glass fragility. Consistent with quenched disorder, the low-temperature heat capacity of both perovskites deviates substantially from the ∼T(3) acoustic phonon contribution predicted by the Debye model. We suggest that static disorder of the A-site molecular cation, potentially coupled to local distortions of the Pb-I sublattice, is responsible for these phenomena. The distinct low-temperature dynamics observed in these two perovskites suggest qualitative differences in the interaction between the molecular cation and the surrounding inorganic framework, with potential implications for defect screening and device performance at ambient temperatures.

  17. GPU Accelerated Discrete Element Method (DEM) Molecular Dynamics for Conservative, Faceted Particle Simulations

    CERN Document Server

    Spellings, Matthew; Anderson, Joshua A; Glotzer, Sharon C

    2016-01-01

    Faceted shapes, such as polyhedra, are commonly found in systems of nanoscale, colloidal, and granular particles. Many interesting physical phenomena, like crystal nucleation and growth, vacancy motion, and glassy dynamics are challenging to model in these systems because they require detailed dynamical information at the individual particle level. Within the granular materials community the Discrete Element Method has been used extensively to model systems of anisotropic particles under gravity, with friction. We provide an implementation of this method intended for simulation of hard, faceted nanoparticles, with a conservative Weeks-Chandler-Andersen (WCA) interparticle potential, coupled to a thermodynamic ensemble. This method is a natural extension of classical molecular dynamics and enables rigorous thermodynamic calculations for faceted particles.

  18. GPU accelerated Discrete Element Method (DEM) molecular dynamics for conservative, faceted particle simulations

    Science.gov (United States)

    Spellings, Matthew; Marson, Ryan L.; Anderson, Joshua A.; Glotzer, Sharon C.

    2017-04-01

    Faceted shapes, such as polyhedra, are commonly found in systems of nanoscale, colloidal, and granular particles. Many interesting physical phenomena, like crystal nucleation and growth, vacancy motion, and glassy dynamics are challenging to model in these systems because they require detailed dynamical information at the individual particle level. Within the granular materials community the Discrete Element Method has been used extensively to model systems of anisotropic particles under gravity, with friction. We provide an implementation of this method intended for simulation of hard, faceted nanoparticles, with a conservative Weeks-Chandler-Andersen (WCA) interparticle potential, coupled to a thermodynamic ensemble. This method is a natural extension of classical molecular dynamics and enables rigorous thermodynamic calculations for faceted particles.

  19. Dynamics of electron acceleration in laser-driven wakefields. Acceleration limits and asymmetric plasma waves

    Energy Technology Data Exchange (ETDEWEB)

    Popp, Antonia

    2011-12-16

    The experiments presented in this thesis study several aspects of electron acceleration in a laser-driven plasma wave. High-intensity lasers can efficiently drive a plasma wave that sustains electric fields on the order of 100 GV/m. Electrons that are trapped in this plasma wave can be accelerated to GeV-scale energies. As the accelerating fields in this scheme are 3-4 orders of magnitude higher than in conventional radio-frequency accelerators, the necessary acceleration distance can be reduced by the same factor, turning laser-wakefield acceleration (LWFA) into a promising compact, and potentially cheaper, alternative. However, laser-accelerated electron bunches have not yet reached the parameter standards of conventional accelerators. This work will help to gain better insight into the acceleration process and to optimize the electron bunch properties. The 25 fs, 1.8 J-pulses of the ATLAS laser at the Max-Planck-Institute of Quantum Optics were focused into a steady-state flow gas cell. This very reproducible and turbulence-free gas target allows for stable acceleration of electron bunches. Thus the sensitivity of electron parameters to subtle changes of the experimental setup could be determined with meaningful statistics. At optimized experimental parameters, electron bunches of {approx}50 pC total charge were accelerated to energies up to 450 MeV with a divergence of {approx}2 mrad FWHM. As, in a new design of the gas cell, its length can be varied from 2 to 14 mm, the electron bunch energy could be evaluated after different acceleration distances, at two different electron densities. From this evolution important acceleration parameters could be extracted. At an electron density of 6.43. 10{sup 18} cm{sup -3} the maximum electric field strength in the plasma wave was determined to be {approx}160 GV/m. The length after which the relativistic electrons outrun the accelerating phase of the electric field and are decelerated again, the so-called dephasing length

  20. Static and dynamic characteristics of angular velocity and acceleration transducers based on optical tunneling effect

    Science.gov (United States)

    Busurin, V. I.; Korobkov, V. V.; Htoo Lwin, Naing; Tuan, Phan Anh

    2016-08-01

    Theoretical and experimental analysis of quasi-linear conversion function of angular velocity and acceleration microoptoelectromechnical (MOEM) transducers based on optical tunneling effect (OTE) are conducted. Equivalent oscillating circuit is developed and dynamic characteristics of angular velocity and acceleration MOEM-transducers are investigated.

  1. Beam dynamics in a long-pulse linear induction accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Ekdahl, Carl [Los Alamos National Laboratory; Abeyta, Epifanio O [Los Alamos National Laboratory; Aragon, Paul [Los Alamos National Laboratory; Archuleta, Rita [Los Alamos National Laboratory; Cook, Gerald [Los Alamos National Laboratory; Dalmas, Dale [Los Alamos National Laboratory; Esquibel, Kevin [Los Alamos National Laboratory; Gallegos, Robert A [Los Alamos National Laboratory; Garnett, Robert [Los Alamos National Laboratory; Harrison, James F [Los Alamos National Laboratory; Johnson, Jeffrey B [Los Alamos National Laboratory; Jacquez, Edward B [Los Alamos National Laboratory; Mc Cuistian, Brian T [Los Alamos National Laboratory; Montoya, Nicholas A [Los Alamos National Laboratory; Nath, Subrato [Los Alamos National Laboratory; Nielsen, Kurt [Los Alamos National Laboratory; Oro, David [Los Alamos National Laboratory; Prichard, Benjamin [Los Alamos National Laboratory; Rose, Chris R [Los Alamos National Laboratory; Sanchez, Manolito [Los Alamos National Laboratory; Schauer, Martin M [Los Alamos National Laboratory; Seitz, Gerald [Los Alamos National Laboratory; Schulze, Martin [Los Alamos National Laboratory; Bender, Howard A [Los Alamos National Laboratory; Broste, William B [Los Alamos National Laboratory; Carlson, Carl A [Los Alamos National Laboratory; Frayer, Daniel K [Los Alamos National Laboratory; Johnson, Douglas E [Los Alamos National Laboratory; Tom, C Y [Los Alamos National Laboratory; Trainham, C [Los Alamos National Laboratory; Williams, John [Los Alamos National Laboratory; Scarpetti, Raymond [LLNL; Genoni, Thomas [VOSS; Hughes, Thomas [VOSS; Toma, Carsten [VOSS

    2010-01-01

    The second axis of the Dual Axis Radiography of Hydrodynamic Testing (DARHT) facility produces up to four radiographs within an interval of 1.6 microseconds. It accomplishes this by slicing four micro-pulses out of a long 1.8-kA, 16.5-MeV electron beam pulse and focusing them onto a bremsstrahlung converter target. The long beam pulse is created by a dispenser cathode diode and accelerated by the unique DARHT Axis-II linear induction accelerator (LIA). Beam motion in the accelerator would be a problem for radiography. High frequency motion, such as from beam breakup instability, would blur the individual spots. Low frequency motion, such as produced by pulsed power variation, would produce spot to spot differences. In this article, we describe these sources of beam motion, and the measures we have taken to minimize it.

  2. Accelerating Steered Molecular Dynamics: Toward Smaller Velocities in Forced Unfolding Simulations.

    Science.gov (United States)

    Mücksch, Christian; Urbassek, Herbert M

    2016-03-08

    The simulation of forced unfolding experiments, in which proteins are pulled apart, is conventionally done using steered molecular dynamics. We present here a hybrid scheme in which accelerated molecular dynamics is used together with steered molecular dynamics. We show that the new scheme changes the force-distance curves mainly in the region around the force maximum and thus demonstrate that the improved equilibration of the protein-solvent system brought about by using accelerated molecular dynamics makes the simulation more comparable to experimental data.

  3. Measurement of dynamic comfort in cycling using wireless acceleration sensors

    NARCIS (Netherlands)

    Olieman, Mark; Marin-Perianu, Raluca; Marin-Perianu, Mihai

    2012-01-01

    Comfort in cycling is related to the level of vibration of the bicycle: more vibration results in less comfort for the rider. In this study, the level of vibration is measured in real time using wireless inertial acceleration sensors mounted at four places on the bike: front wheel axel, rear wheel a

  4. Beam dynamics in resonant plasma wakefield acceleration at SPARC_LAB

    Science.gov (United States)

    Romeo, S.; Anania, M. P.; Chiadroni, E.; Croia, M.; Ferrario, M.; Marocchino, A.; Pompili, R.; Vaccarezza, C.

    2016-09-01

    Strategies to mitigate the increase of witness emittance and energy spread in beam driven plasma wakefield acceleration are investigated. Starting from the proposed resonant wakefield acceleration scheme in quasi-non-linear regime that is going to be carried out at SPARC_LAB, we performed systematic scans of the parameters to be used for drivers. The analysis will show that one of the main requirements to preserve witness quality during the acceleration is to have accelerating and focusing fields that are very stable during all the accelerating length. The difference between the dynamics of the leading bunch and the trailing bunch is pointed out. The classical condition on bunch length kpσz =√{ 2 } seems to be an ideal condition for the first driver within long accelerating lengths. The other drivers show to follow different longitudinal matching conditions. In the end a new method for the investigation of the matching for the first driver is introduced.

  5. Gas-dynamic acceleration of bodies till the hyper sonic velocity

    CERN Document Server

    Dolya, S N

    2014-01-01

    The article considers an opportunity of gas-dynamic acceleration of body from the initial zero velocity till the finite velocity: five kilometers per second. When the gas flow rate of the body pre-acceleration reaches one kilometer per second, the body is accelerated at the front of the explosion wave propagating along the coils of the hexogen spiral. This wave accelerates the body and, finally, it reaches the velocity of five kilometers per second. The accelerated body has mass one-tenth of a kilogram and diameter eleven and three tenths of a millimeter. Acceleration length is six meters. At the slope of the spiral to the horizon equal to seventy degrees the flight range of the body is equal to sixteen hundred kilometers and the maximum height of the flight is eleven hundred kilometers.

  6. Beam manipulation techniques, nonlinear beam dynamics, and space charge effect in high energy high power accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Lee, S. Y.

    2014-04-07

    We had carried out a design of an ultimate storage ring with beam emittance less than 10 picometer for the feasibility of coherent light source at X-ray wavelength. The accelerator has an inherent small dynamic aperture. We study method to improve the dynamic aperture and collective instability for an ultimate storage ring. Beam measurement and accelerator modeling are an integral part of accelerator physics. We develop the independent component analysis (ICA) and the orbit response matrix method for improving accelerator reliability and performance. In collaboration with scientists in National Laboratories, we also carry out experimental and theoretical studies on beam dynamics. Our proposed research topics are relevant to nuclear and particle physics using high brightness particle and photon beams.

  7. Dynamics and transport of laser-accelerated particle beams

    Energy Technology Data Exchange (ETDEWEB)

    Becker, Stefan

    2010-04-19

    The subject of this thesis is the investigation and optimization of beam transport elements in the context of the steadily growing field of laser-driven particle acceleration. The first topic is the examination of the free vacuum expansion of an electron beam at high current density. It could be shown that particle tracking codes which are commonly used for the calculation of space charge effects will generate substantial artifacts in the regime considered here. The artifacts occurring hitherto predominantly involve insufficient prerequisites for the Lorentz transformation, the application of inadequate initial conditions and non negligible retardation artifacts. A part of this thesis is dedicated to the development of a calculation approach which uses a more adequate ansatz calculating space charge effects for laser-accelerated electron beams. It can also be used to validate further approaches for the calculation of space charge effects. The next elements considered are miniature magnetic quadrupole devices for the focusing of charged particle beams. General problems involved with their miniaturization concern distorting higher order field components. If these distorting components cannot be controlled, the field of applications is very limited. In this thesis a new method for the characterization and compensation of the distorting components was developed, which might become a standard method when assembling these permanent magnet multipole devices. The newly developed characterization method has been validated at the Mainz Microtron (MAMI) electron accelerator. Now that we can ensure optimum performance, the first application of permanent magnet quadrupole devices in conjunction with laser-accelerated ion beams is presented. The experiment was carried out at the Z-Petawatt laser system at Sandia National Laboratories. A promising application for laser-accelerated electron beams is the FEL in a university-scale size. The first discussion of all relevant aspects

  8. Dynamics of wide binary stars: A case study for testing Newtonian dynamics in the low acceleration regime

    CERN Document Server

    Scarpa, Riccardo; Falomo, Renato; Treves, Aldo

    2016-01-01

    Extremely wide binary stars represent ideal systems to probe Newtonian dynamics in the low acceleration regimes (0.15 pc that are useful for the proposed test. While it would be premature to draw any conclusion about the validity of Newtonian dynamics at these low accelerations, our main result is that very wide binary stars seem to exist in the harsh environment of the solar neighborhood. This could provide a tool to test Newtonian dynamics versus modified dynamics theories in the low acceleration conditions typical of galaxies. In the near future the GAIA satellite will provide data to increase significantly the number of wide pairs that, with the appropriate follow up spectroscopic observations, will allow the implementation of this experiment with unprecedented accuracy.

  9. Beam dynamics at the main LEBT of RAON accelerator

    CERN Document Server

    Jin, Hyunchang

    2015-01-01

    The high-intensity rare-isotope accelerator (RAON) of the Rare Isotope Science Project (RISP) in Daejeon, Korea, has been designed to accelerate multiple-charge-state beams. The ion beams, which are generated by Electron Cyclotron Resonance Ion Source (ECR-IS), will be transported through the main Low Energy Beam Transport (LEBT) system to the Radio Frequency Quadrupole (RFQ). While passing the beams through LEBT, we should keep the transverse beam size and longitudinal emittance small. Furthermore, the matching of required twiss parameter at the RFQ entrance will be performed by using electro-static quadrupoles at the main LEBT matching section which is from the multi-harmonic buncher (MHB) to the entrance of RFQ. We will briefly review the new aspects of main LEBT lattice and the beam matching at the main LEBT matching section will be presented. In addition, the effects of various errors on the beam orbit and the correction of distorted orbit will be discussed.

  10. Self-accelerating Universe in modified gravity with dynamical torsion

    CERN Document Server

    Nikiforova, V; Rubakov, V

    2016-01-01

    We consider a model belonging to the class of Poincare gauge gravities. The model is free of ghosts and gradient instabilities about Minkowski and torsionless Einstein backgrounds. We find that at zero cosmological constant, the model admits a self-accelerating solution with non-Riemannian connection. Small value of the effective cosmological constant is obtained at the expense of the hierarchy between the dimensionless couplings.

  11. Revisiting FPGA Acceleration of Molecular Dynamics Simulation with Dynamic Data Flow Behavior in High-Level Synthesis

    CERN Document Server

    Cong, Jason; Kianinejad, Hassan; Wei, Peng

    2016-01-01

    Molecular dynamics (MD) simulation is one of the past decade's most important tools for enabling biology scientists and researchers to explore human health and diseases. However, due to the computation complexity of the MD algorithm, it takes weeks or even months to simulate a comparatively simple biology entity on conventional multicore processors. The critical path in molecular dynamics simulations is the force calculation between particles inside the simulated environment, which has abundant parallelism. Among various acceleration platforms, FPGA is an attractive alternative because of its low power and high energy efficiency. However, due to its high programming cost using RTL, none of the mainstream MD software packages has yet adopted FPGA for acceleration. In this paper we revisit the FPGA acceleration of MD in high-level synthesis (HLS) so as to provide affordable programming cost. Our experience with the MD acceleration demonstrates that HLS optimizations such as loop pipelining, module duplication a...

  12. Dynamic response of an accelerator driven system to accelerator beam interruptions for criticality

    Energy Technology Data Exchange (ETDEWEB)

    Lafuente, A.; Abanades, A.; Leon, P.T.; Sordo, F. [E.T.S. Ingenieros Industriales, J. Gutierrez Abascal, 2-28006 Madrid (Spain); Martinez-Val, J.M. [E.T.S. Ingenieros Industriales, J. Gutierrez Abascal, 2-28006 Madrid (Spain)], E-mail: mval@etsii.upm.es

    2008-06-21

    Subcritical nuclear reactors driven by intense neutron sources can be very suitable tools for nuclear waste transmutation, particularly in the case of minor actinides with very low fractions of delayed neutrons. A proper control of these systems needs to know at every time the absolute value of the reactor subcriticality (negative reactivity), which must be measured by fully reliable methods, usually conveying a short interruption of the accelerator beam in order to assess the neutron flux reduction. Those interruptions should be very short in time, for not disturbing too much the thermal magnitudes of the reactor. Otherwise, the cladding and the fuel would suffer from thermal fatigue produced by those perturbations, and the mechanical integrity of the reactor would be jeopardized. It is shown in this paper that beam interruptions of the order of 400 {mu}s repeated every second would not disturb significantly the reactor thermal features, while enabling for an adequate measurement of the negative reactivity.

  13. Dynamic response of an accelerator driven system to accelerator beam interruptions for criticality

    Science.gov (United States)

    Lafuente, A.; Abanades, A.; Leon, P. T.; Sordo, F.; Martinez-Val, J. M.

    2008-06-01

    Subcritical nuclear reactors driven by intense neutron sources can be very suitable tools for nuclear waste transmutation, particularly in the case of minor actinides with very low fractions of delayed neutrons. A proper control of these systems needs to know at every time the absolute value of the reactor subcriticality (negative reactivity), which must be measured by fully reliable methods, usually conveying a short interruption of the accelerator beam in order to assess the neutron flux reduction. Those interruptions should be very short in time, for not disturbing too much the thermal magnitudes of the reactor. Otherwise, the cladding and the fuel would suffer from thermal fatigue produced by those perturbations, and the mechanical integrity of the reactor would be jeopardized. It is shown in this paper that beam interruptions of the order of 400 μs repeated every second would not disturb significantly the reactor thermal features, while enabling for an adequate measurement of the negative reactivity.

  14. Dynamic Model for the Z Accelerator Vacuum Section Based on Transmission Line Code%Dynamic Model for the Z Accelerator Vacuum Section Based on Transmission Line Code

    Institute of Scientific and Technical Information of China (English)

    呼义翔; 雷天时; 吴撼宇; 郭宁; 韩娟娟; 邱爱慈; 王亮平; 黄涛; 丛培天; 张信军; 李岩; 曾正中; 孙铁平

    2011-01-01

    The transmission-line-circuit model of the Z accelerator, developed originally by W. A. STYGAR, P. A. CORCORAN, et al., is revised. The revised model uses different calculations for the electron loss and flow impedance in the magnetically insulated transmission line system of the Z accelerator before and after magnetic insulation is established. By including electron pressure and zero electric field at the cathode, a closed set of equations is obtained at each time step, and dynamic shunt resistance (used to represent any electron loss to the anode) and flow impedance are solved, which have been incorporated into the transmission line code for simulations of the vacuum section in the Z accelerator. Finally, the results are discussed in comparison with earlier findings to show the effectiveness and limitations of the model.

  15. dynamics of armature acceleration in a railgun channel

    Science.gov (United States)

    Gendel, Yu. G.; Glushkov, I. S.; Kareev, Yu. A.; Nikolashin, A. A.; Novikov, V. P.; Halimullin, Yu. A.

    2013-04-01

    We have analyzed the results of experiments on the acceleration of an aluminum armature with a mass of about 3 g in a railgun with steel rails. The experiment was aimed at studying processes in a high-velocity contact at a velocity close to the transition value related to the contact velocity skin effect. In the absence of high-current arcs, a velocity of 1.2 km/s has been reached with the aid of armature pressing to the rails. A retarding force that acts upon the armature that moves in the railgun channel has been determined.

  16. Single Particle Dynamics in a Quasi-Integrable Nonlinear Accelerator Lattice

    CERN Document Server

    Antipov, Sergey A; Valishev, Alexander

    2016-01-01

    Fermilab is constructing the Integrable Optics Test Accelerator (IOTA) as the centerpiece of the Accelerator R&D Program towards high-intensity circular machines. One of the factors limiting the beam intensity in present circular accelerators is collective instabilities, which can be suppressed by a spread of betatron frequencies (tunes) through the Landau damping mechanism or by an external damper, if the instability is slow enough. The spread is usually created by octupole magnets, which introduce the tune dependence on the amplitude and, in some cases, by a chromatic spread (tune dependence on particle's momentum). The introduction of octupoles usually lead to a resonant behavior and a reduction of the dynamic aperture. One of the goals of the IOTA research program is to achieve a high betatron tune spread, while retaining a large dynamic aperture using conventional octupole magnets in a special but realistic accelerator configuration. In this report, we present results of computer simulations of an el...

  17. Entanglement dynamics for uniformly accelerated two-level atoms coupled with electromagnetic vacuum fluctuations

    CERN Document Server

    Yang, Yiquan; Yu, Hongwei

    2016-01-01

    We investigate the entanglement dynamics of two uniformly accelerated atoms with the same acceleration perpendicular to their separation. The two-atom system is treated as an open system coupled with fluctuating electromagnetic fields in the Minkowski vacuum, and in the Born-Markov approximation the master equation that describes the completely positive time evolution of the two-atom system is derived. In particular, we investigate the phenomena of entanglement degradation, generation, revival and enhancement. As opposed to the scalar-field case, the entanglement dynamics is crucially dependent on the polarization directions of the atoms. For the two-atom system with certain acceleration and separation, the polarization directions of the atoms may determine whether entanglement generation, revival or enhancement happens, while for entanglement degradation, they affect the decay rate of entanglement. A comparison between the entanglement evolution of accelerated atoms and that of static ones immersed in a ther...

  18. Beam dynamics simulation of the Spallation Neutron Source linear accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Takeda, H.; Billen, J.H.; Bhatia, T.S.

    1998-12-31

    The accelerating structure for Spallation Neutron Source (SNS) consists of a radio-frequency-quadrupole-linac (RFQ), a drift-tube-linac (DTL), a coupled-cavity-drift-tube-linac (CCDTL), and a coupled-cavity-linac (CCL). The linac is operated at room temperature. The authors discuss the detailed design of linac which accelerates an H{sup {minus}} pulsed beam coming out from RFQ at 2.5 MeV to 1000 MeV. They show a detailed transition from 402.5 MHz DTL with a 4 {beta}{lambda} structure to a CCDTL operated at 805 MHz with a 12 {beta}{lambda} structure. After a discussion of overall feature of the linac, they present an end-to-end particle simulation using the new version of the PARMILA code for a beam starting from the RFQ entrance through the rest of the linac. At 1000 MeV, the beam is transported to a storage ring. The storage ring requires a large ({+-}500-keV) energy spread. This is accomplished by operating the rf-phase in the last section of the linac so the particles are at the unstable fixed point of the separatrix. They present zero-current phase advance, beam size, and beam emittance along the entire linac.

  19. Acceleration of oxygen ions in the dynamic magnetotail

    Directory of Open Access Journals (Sweden)

    J. Birn

    2004-04-01

    Full Text Available The substorm-related acceleration and flux increases of energetic oxygen ions are studied on the basis of test particle orbits in the fields obtained from an MHD simulation of plasmoid formation and ejection and the collapse (dipolarization of the inner tail. The simulated fluxes show large anisotropies and nongyrotropic effects, phase bunching, and spatially and temporally localized beams. The energy distribution of O+ in the region of an earthward beam in the near tail becomes significantly harder, more pronounced than for protons, in qualitative agreement with observations. The simulation also shows tailward beams of energetic O+ions closely associated with the passage of a plasmoid, both inside the plasma sheet boundary and inside the central plasma sheet, consistent with observations in the far tail. The acceleration at the near-Earth x-type neutral line produces a narrow duskward beam of energetic O+ in the duskward extension of the x-line, which was not found to be as pronounced in proton test particle simulations.

    Key words. Magnetospheric physics (energetic particles, trapped; magnetotail; storms and substorms

  20. Kinematics and Dynamics of Motion Control Based on Acceleration Control

    Science.gov (United States)

    Ohishi, Kiyoshi; Ohba, Yuzuru; Katsura, Seiichiro

    The first IEEE International Workshop on Advanced Motion Control was held in 1990 pointed out the importance of physical interpretation of motion control. The software servoing technology is now common in machine tools, robotics, and mechatronics. It has been intensively developed for the numerical control (NC) machines. Recently, motion control in unknown environment will be more and more important. Conventional motion control is not always suitable due to the lack of adaptive capability to the environment. A more sophisticated ability in motion control is necessary for compliant contact with environment. Acceleration control is the key technology of motion control in unknown environment. The acceleration control can make a motion system to be a zero control stiffness system without losing the robustness. Furthermore, a realization of multi-degree-of-freedom motion is necessary for future human assistance. A human assistant motion will require various control stiffness corresponding to the task. The review paper focuses on the modal coordinate system to integrate the various control stiffness in the virtual axes. A bilateral teleoperation is a good candidate to consider the future human assistant motion and integration of decentralized systems. Thus the paper reviews and discusses the bilateral teleoperation from the control stiffness and the modal control design points of view.

  1. A Framework for Dynamically-Loaded Hardware Library (HLL) in FPGA Acceleration

    DEFF Research Database (Denmark)

    Cardarilli, Gian Carlo; Di Carlo, Leonardo; Nannarelli, Alberto

    2016-01-01

    Hardware acceleration is often used to address the need for speed and computing power in embedded systems. FPGAs always represented a good solution for HW acceleration and, recently, new SoC platforms extended the flexibility of the FPGAs by combining on a single chip both high-performance CPUs...... and FPGA fabric. The aim of this work is the implementation of hardware accelerators for these new SoCs. The innovative feature of these accelerators is the on-the-fly reconfiguration of the hardware to dynamically adapt the accelerator’s functionalities to the current CPU workload. The realization...... of the accelerators preliminarily requires also the profiling of both the SW (ARM CPU + NEON Units) and HW (FPGA) performance, an evaluation of the partial reconfiguration times and the development of an applicationspecific IP-cores library. This paper focuses on the profiling aspect of both the SW and HW...

  2. Soft matter dynamics: Accelerated fluid squeeze-out during slip

    Science.gov (United States)

    Hutt, W.; Persson, B. N. J.

    2016-03-01

    Using a Leonardo da Vinci experimental setup (constant driving force), we study the dependency of lubricated rubber friction on the time of stationary contact and on the sliding distance. We slide rectangular rubber blocks on smooth polymer surfaces lubricated by glycerol or by a grease. We observe a remarkable effect: during stationary contact the lubricant is only very slowly removed from the rubber-polymer interface, while during slip it is very rapidly removed resulting (for the grease lubricated surface) in complete stop of motion after a short time period, corresponding to a slip distance typically of order only a few times the length of the rubber block in the sliding direction. For an elastically stiff material, poly(methyl methacrylate), we observe the opposite effect: the sliding speed increases with time (acceleration), and the lubricant film thickness appears to increase. We propose an explanation for the observed effect based on transient elastohydrodynamics, which may be relevant also for other soft contacts.

  3. Phase Space Dynamics of Ionization Injection in Plasma Based Accelerators

    CERN Document Server

    Xu, X L; Li, F; Zhang, C J; Yan, L X; Du, Y C; Huang, W H; Chen, H B; Tang, C X; Lu, W; Yu, P; An, W; Mori, W B; Joshi, C

    2013-01-01

    The evolution of beam phase space in ionization-induced injection into plasma wakefields is studied using theory and particle-in-cell (PIC) simulations. The injection process causes special longitudinal and transverse phase mixing leading initially to a rapid emittance growth followed by oscillation, decay, and eventual slow growth to saturation. An analytic theory for this evolution is presented that includes the effects of injection distance (time), acceleration distance, wakefield structure, and nonlinear space charge forces. Formulas for the emittance in the low and high space charge regimes are presented. The theory is verified through PIC simulations and a good agreement is obtained. This work shows how ultra-low emittance beams can be produced using ionization-induced injection.

  4. Wavelet approach to accelerator problems. 1: Polynomial dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Fedorova, A.; Zeitlin, M. [Russian Academy of Sciences, St. Petersburg (Russian Federation). Inst. of Problems of Mechanical Engineering; Parsa, Z. [Brookhaven National Lab., Upton, NY (United States). Dept. of Physics

    1997-05-01

    This is the first part of a series of talks in which the authors present applications of methods from wavelet analysis to polynomial approximations for a number of accelerator physics problems. In the general case they have the solution as a multiresolution expansion in the base of compactly supported wavelet basis. The solution is parameterized by solutions of two reduced algebraical problems, one is nonlinear and the second is some linear problem, which is obtained from one of the next wavelet constructions: Fast Wavelet Transform, Stationary Subdivision Schemes, the method of Connection Coefficients. In this paper the authors consider the problem of calculation of orbital motion in storage rings. The key point in the solution of this problem is the use of the methods of wavelet analysis, relatively novel set of mathematical methods, which gives one a possibility to work with well-localized bases in functional spaces and with the general type of operators (including pseudodifferential) in such bases.

  5. Dynamic characterization of a new accelerated heart valve tester.

    Science.gov (United States)

    Menzler, F; Haubold, A D; Hwang, N H

    1997-01-01

    This paper presents a new accelerated prosthetic heart valve tester prototype that incorporates a camshaft and poppet valves. A three element Windkessel system is used to mimic the afterload of the human systemic circulation. The device is capable of testing eight valves simultaneously at a rate up to 1,250 cycles/min, while the flow rate, the pressure, and the valve loading can be monitored and adjusted individually. The tester was characterized and calibrated using a set of eight Carpentier-Edwards bioprostheses at a flow rate varying between 3 and 5 L/min. The experiment was carried out with the pressure difference across the closed heart valve maintained between 140 and 190 mmHg. Smooth and complete opening and closing of the valve leaflets was achieved at all cycling rates. This confirms that the velocity profiles approaching the test valves were uniform, an important factor that allows the test valves to open and close synchronously each time.

  6. Capturing Structural Dynamics in Crystalline Silicon Using Chirped Electrons from a Laser Wakefield Accelerator

    CERN Document Server

    He, Z -H; Nees, J A; Gallé, G; Scott, S A; Pérez, J R Sanchez; Lagally, M G; Krushelnick, K; Thomas, A G R; Faure, J

    2016-01-01

    Recent progress in laser wakefield acceleration has led to the emergence of a new generation of electron and X-ray sources that may have enormous benefits for ultrafast science. These novel sources promise to become indispensable tools for the investigation of structural dynamics on the femtosecond time scale, with spatial resolution on the atomic scale. Here, we demonstrate the use of laser-wakefield-accelerated electron bunches for time-resolved electron diffraction measurements of the structural dynamics of single-crystal silicon nano-membranes pumped by an ultrafast laser pulse. In our proof-of-concept study, we resolve the silicon lattice dynamics on a picosecond time scale by deflecting the momentum-time correlated electrons in the diffraction peaks with a static magnetic field to obtain the time-dependent diffraction efficiency. Further improvements may lead to femtosecond temporal resolution, with negligible pump-probe jitter being possible with future laser-wakefield-accelerator ultrafast-electron-di...

  7. DTL cavity design and beam dynamics for a TAC linear proton accelerator

    Science.gov (United States)

    Caliskan, A.; Yılmaz, M.

    2012-02-01

    A 30 mA drift tube linac (DTL) accelerator has been designed using SUPERFISH code in the energy range of 3-55 MeV in the framework of the Turkish Accelerator Center (TAC) project. Optimization criteria in cavity design are effective shunt impedance (ZTT), transit-time factor and electrical breakdown limit. In geometrical optimization we have aimed to increase the energy gain in each RF gap of the DTL cells by maximizing the effective shunt impedance (ZTT) and the transit-time factor. Beam dynamics studies of the DTL accelerator have been performed using beam dynamics simulation codes of PATH and PARMILA. The results of both codes have been compared. In the beam dynamical studies, the rms values of beam emittance have been taken into account and a low emittance growth in both x and y directions has been attempted.

  8. DTL cavity design and beam dynamics for a TAC linear proton accelerator

    Institute of Scientific and Technical Information of China (English)

    A. Caliskan; M. Yi1maz

    2012-01-01

    A 30 mA drift tube linac (DTL) accelerator has been designed using SUPERFISH code in the energy range of 3-55 MeV in the framework of the Turkish Accelerator Center (TAC) project.Optimization criteria in cavity design are effective shunt impedance (ZTT),transit-time factor and electrical breakdown limit.In geometrical optimization we have aimed to increase the energy gain in each RF gap of the DTL cells by maximizing the effective shunt impedance (ZTT) and the transit-time factor.Beam dynamics studies of the DTL accelerator have been performed using beam dynamics simulation codes of PATH and PARMILA.The results of both codes have been compared.In the beam dynamical studies,the rms values of beam emittance have been taken into account and a low emittance growth in both x and y directions has been attempted.

  9. Capturing Structural Dynamics in Crystalline Silicon Using Chirped Electrons from a Laser Wakefield Accelerator

    Science.gov (United States)

    He, Z.-H.; Beaurepaire, B.; Nees, J. A.; Gallé, G.; Scott, S. A.; Pérez, J. R. Sánchez; Lagally, M. G.; Krushelnick, K.; Thomas, A. G. R.; Faure, J.

    2016-11-01

    Recent progress in laser wakefield acceleration has led to the emergence of a new generation of electron and X-ray sources that may have enormous benefits for ultrafast science. These novel sources promise to become indispensable tools for the investigation of structural dynamics on the femtosecond time scale, with spatial resolution on the atomic scale. Here, we demonstrate the use of laser-wakefield-accelerated electron bunches for time-resolved electron diffraction measurements of the structural dynamics of single-crystal silicon nano-membranes pumped by an ultrafast laser pulse. In our proof-of-concept study, we resolve the silicon lattice dynamics on a picosecond time scale by deflecting the momentum-time correlated electrons in the diffraction peaks with a static magnetic field to obtain the time-dependent diffraction efficiency. Further improvements may lead to femtosecond temporal resolution, with negligible pump-probe jitter being possible with future laser-wakefield-accelerator ultrafast-electron-diffraction schemes.

  10. Kalman filter techniques for accelerated Cartesian dynamic cardiac imaging.

    Science.gov (United States)

    Feng, Xue; Salerno, Michael; Kramer, Christopher M; Meyer, Craig H

    2013-05-01

    In dynamic MRI, spatial and temporal parallel imaging can be exploited to reduce scan time. Real-time reconstruction enables immediate visualization during the scan. Commonly used view-sharing techniques suffer from limited temporal resolution, and many of the more advanced reconstruction methods are either retrospective, time-consuming, or both. A Kalman filter model capable of real-time reconstruction can be used to increase the spatial and temporal resolution in dynamic MRI reconstruction. The original study describing the use of the Kalman filter in dynamic MRI was limited to non-Cartesian trajectories because of a limitation intrinsic to the dynamic model used in that study. Here the limitation is overcome, and the model is applied to the more commonly used Cartesian trajectory with fast reconstruction. Furthermore, a combination of the Kalman filter model with Cartesian parallel imaging is presented to further increase the spatial and temporal resolution and signal-to-noise ratio. Simulations and experiments were conducted to demonstrate that the Kalman filter model can increase the temporal resolution of the image series compared with view-sharing techniques and decrease the spatial aliasing compared with TGRAPPA. The method requires relatively little computation, and thus is suitable for real-time reconstruction.

  11. Accelerating k-t sparse using k-space aliasing for dynamic MRI imaging.

    Science.gov (United States)

    Pawar, Kamlesh; Egan, Gary F; Zhang, Jingxin

    2013-01-01

    Dynamic imaging is challenging in MRI and acceleration techniques are usually needed to acquire dynamic scene. K-t sparse is an acceleration technique based on compressed sensing, it acquires fewer amounts of data in k-t space by pseudo random ordering of phase encodes and reconstructs dynamic scene by exploiting sparsity of k-t space in transform domain. Another recently introduced technique accelerates dynamic MRI scans by acquiring k-space data in aliased form. K-space aliasing technique uses multiple RF excitation pulses to deliberately acquire aliased k-space data. During reconstruction a simple Fourier transformation along time frames can unaliase the acquired aliased data. This paper presents a novel method to combine k-t sparse and k-space aliasing to achieve higher acceleration than each of the individual technique alone. In this particular combination, a very critical factor of compressed sensing, the ratio of the number of acquired phase encodes to the number of total phase encode (n/N) increases therefore compressed sensing component of reconstruction performs exceptionally well. Comparison of k-t sparse and the proposed technique for acceleration factors of 4, 6 and 8 is demonstrated in simulation on cardiac data.

  12. Carbon dioxide foaming of glassy polymers

    NARCIS (Netherlands)

    Wessling, M.; Borneman, Z.; Boomgaard, van den Th.; Smolders, C.A.

    1994-01-01

    The mechanism of foaming a glassy polymer using sorbed carbon dioxide is studied in detail. A glassy polymer supersaturated with nitrogen forms a microcellular foam, if the polymer is quickly heated above its glass transition temperature. A glassy polymer supersaturated with CO2 forms this foam-like

  13. Embarrassingly Parallel Acceleration of Global Tractography via Dynamic Domain Partitioning.

    Science.gov (United States)

    Wu, Haiyong; Chen, Geng; Jin, Yan; Shen, Dinggang; Yap, Pew-Thian

    2016-01-01

    Global tractography estimates brain connectivity by organizing signal-generating fiber segments in an optimal configuration that best describes the measured diffusion-weighted data, promising better stability than local greedy methods with respect to imaging noise. However, global tractography is computationally very demanding and requires computation times that are often prohibitive for clinical applications. We present here a reformulation of the global tractography algorithm for fast parallel implementation amendable to acceleration using multi-core CPUs and general-purpose GPUs. Our method is motivated by the key observation that each fiber segment is affected by a limited spatial neighborhood. In other words, a fiber segment is influenced only by the fiber segments that are (or can potentially be) connected to its two ends and also by the diffusion-weighted signal in its proximity. This observation makes it possible to parallelize the Markov chain Monte Carlo (MCMC) algorithm used in the global tractography algorithm so that concurrent updating of independent fiber segments can be carried out. Experiments show that the proposed algorithm can significantly speed up global tractography, while at the same time maintain or even improve tractography performance.

  14. Active fluidization in dense glassy systems.

    Science.gov (United States)

    Mandal, Rituparno; Bhuyan, Pranab Jyoti; Rao, Madan; Dasgupta, Chandan

    2016-07-20

    Dense soft glasses show strong collective caging behavior at sufficiently low temperatures. Using molecular dynamics simulations of a model glass former, we show that the incorporation of activity or self-propulsion, f0, can induce cage breaking and fluidization, resulting in the disappearance of the glassy phase beyond a critical f0. The diffusion coefficient crosses over from being strongly to weakly temperature dependent as f0 is increased. In addition, we demonstrate that activity induces a crossover from a fragile to a strong glass and a tendency of active particles to cluster. Our results are of direct relevance to the collective dynamics of dense active colloidal glasses and to recent experiments on tagged particle diffusion in living cells.

  15. Accelerate!

    Science.gov (United States)

    Kotter, John P

    2012-11-01

    The old ways of setting and implementing strategy are failing us, writes the author of Leading Change, in part because we can no longer keep up with the pace of change. Organizational leaders are torn between trying to stay ahead of increasingly fierce competition and needing to deliver this year's results. Although traditional hierarchies and managerial processes--the components of a company's "operating system"--can meet the daily demands of running an enterprise, they are rarely equipped to identify important hazards quickly, formulate creative strategic initiatives nimbly, and implement them speedily. The solution Kotter offers is a second system--an agile, networklike structure--that operates in concert with the first to create a dual operating system. In such a system the hierarchy can hand off the pursuit of big strategic initiatives to the strategy network, freeing itself to focus on incremental changes to improve efficiency. The network is populated by employees from all levels of the organization, giving it organizational knowledge, relationships, credibility, and influence. It can Liberate information from silos with ease. It has a dynamic structure free of bureaucratic layers, permitting a level of individualism, creativity, and innovation beyond the reach of any hierarchy. The network's core is a guiding coalition that represents each level and department in the hierarchy, with a broad range of skills. Its drivers are members of a "volunteer army" who are energized by and committed to the coalition's vividly formulated, high-stakes vision and strategy. Kotter has helped eight organizations, public and private, build dual operating systems over the past three years. He predicts that such systems will lead to long-term success in the 21st century--for shareholders, customers, employees, and companies themselves.

  16. Accelerated dynamic EPR imaging using fast acquisition and compressive recovery

    Science.gov (United States)

    Ahmad, Rizwan; Samouilov, Alexandre; Zweier, Jay L.

    2016-12-01

    Electron paramagnetic resonance (EPR) allows quantitative imaging of tissue redox status, which provides important information about ischemic syndromes, cancer and other pathologies. For continuous wave EPR imaging, however, poor signal-to-noise ratio and low acquisition efficiency limit its ability to image dynamic processes in vivo including tissue redox, where conditions can change rapidly. Here, we present a data acquisition and processing framework that couples fast acquisition with compressive sensing-inspired image recovery to enable EPR-based redox imaging with high spatial and temporal resolutions. The fast acquisition (FA) allows collecting more, albeit noisier, projections in a given scan time. The composite regularization based processing method, called spatio-temporal adaptive recovery (STAR), not only exploits sparsity in multiple representations of the spatio-temporal image but also adaptively adjusts the regularization strength for each representation based on its inherent level of the sparsity. As a result, STAR adjusts to the disparity in the level of sparsity across multiple representations, without introducing any tuning parameter. Our simulation and phantom imaging studies indicate that a combination of fast acquisition and STAR (FASTAR) enables high-fidelity recovery of volumetric image series, with each volumetric image employing less than 10 s of scan. In addition to image fidelity, the time constants derived from FASTAR also match closely to the ground truth even when a small number of projections are used for recovery. This development will enhance the capability of EPR to study fast dynamic processes that cannot be investigated using existing EPR imaging techniques.

  17. GPU-accelerated visualization of protein dynamics in ribbon mode

    Science.gov (United States)

    Wahle, Manuel; Birmanns, Stefan

    2011-01-01

    Proteins are biomolecules present in living organisms and essential for carrying out vital functions. Inherent to their functioning is folding into different spatial conformations, and to understand these processes, it is crucial to visually explore the structural changes. In recent years, significant advancements in experimental techniques and novel algorithms for post-processing of protein data have routinely revealed static and dynamic structures of increasing sizes. In turn, interactive visualization of the systems and their transitions became more challenging. Therefore, much research for the efficient display of protein dynamics has been done, with the focus being space filling models, but for the important class of abstract ribbon or cartoon representations, there exist only few methods for an efficient rendering. Yet, these models are of high interest to scientists, as they provide a compact and concise description of the structure elements along the protein main chain. In this work, a method was developed to speed up ribbon and cartoon visualizations. Separating two phases in the calculation of geometry allows to offload computational work from the CPU to the GPU. The first phase consists of computing a smooth curve along the protein's main chain on the CPU. In the second phase, conducted independently by the GPU, vertices along that curve are moved to set up the final geometrical representation of the molecule.

  18. Temperature dependence of hydrophobic hydration dynamics: from retardation to acceleration.

    Science.gov (United States)

    Duboué-Dijon, Elise; Fogarty, Aoife C; Laage, Damien

    2014-02-13

    The perturbation induced by a hydrophobic solute on water dynamics is essential in many biochemical processes, but its mechanism and magnitude are still debated. A stringent test of the different proposed pictures is provided by recent NMR measurements by Qvist and Halle (J. Am. Chem. Soc. 2008, 130, 10345-10353) which showed that, unexpectedly, the perturbation changes in a non-monotonic fashion when the solution is cooled below room temperature. Here we perform and analyze molecular dynamics simulations of a small paradigm amphiphilic solute, trimethylamine N-oxide (TMAO), in dilute aqueous solutions over the 218-350 K temperature range. We first show that our simulations properly reproduce the non-monotonic temperature dependence. We then develop a model which combines our previously suggested entropic excluded-volume effect with a perturbation factor arising from the difference between local structural fluctuations in the shell and the bulk. Our model provides a detailed molecular understanding of the hydrophobic perturbation over the full temperature range investigated. It shows that the excluded-volume factor brings a dominant temperature-independent contribution to the perturbation at all temperatures, and provides a very good approximation at room temperature. The non-monotonic temperature dependence of the perturbation is shown to arise from the structural factor and mostly from relative shifts between the shell and bulk distributions of local structures, whose amplitude remains very small compared to the widths of those distributions.

  19. Research on Acceleration Disturbance Suppression for Dynamic Detection of Level Attitude

    Science.gov (United States)

    Tan, Linxia; Zhang, Fuxue

    The paper presents a new method to eliminate acceleration disturbance in level attitude measurement and control of moving carrier. Output signals of micro-machined inclinometer and gyroscope are analyzed in different states of moving carrier by experimental simulation, results show that gyroscope almost keeps the zero output voltage while inclinometer outputs in significant fluctuations. With the analysis results, a new method on acceleration disturbance suppression is developed base on a combination of inclinometers and gyroscopes, which includes establishment and derivation of its mathematical model and implementation, and an algorithm software design. Finally, tests to the acceleration disturbance suppression effect are demonstrated in line motion, line vibration, angular motion and angular motion plus pitch swing. Experimental results show that the method achieves its expected effect. The inertial system constitutes of inclinometers and gyros interacting with acceleration disturbance suppression method can dynamic detect the level attitude of moving carrier.

  20. BEAM DYNAMICS SIMULATIONS OF SARAF ACCELERATOR INCLUDING ERROR PROPAGATION AND IMPLICATIONS FOR THE EURISOL DRIVER

    CERN Document Server

    J. Rodnizki, D. Berkovits, K. Lavie, I. Mardor, A. Shor and Y. Yanay (Soreq NRC, Yavne), K. Dunkel, C. Piel (ACCEL, Bergisch Gladbach), A. Facco (INFN/LNL, Legnaro, Padova), V. Zviagintsev (TRIUMF, Vancouver)

    AbstractBeam dynamics simulations of SARAF (Soreq Applied Research Accelerator Facility) superconducting RF linear accelerator have been performed in order to establish the accelerator design. The multi-particle simulation includes 3D realistic electromagnetic field distributions, space charge forces and fabrication, misalignment and operation errors. A 4 mA proton or deuteron beam is accelerated up to 40 MeV with a moderated rms emittance growth and a high real-estate gradient of 2 MeV/m. An envelope of 40,000 macro-particles is kept under a radius of 1.1 cm, well below the beam pipe bore radius. The accelerator design of SARAF is proposed as an injector for the EURISOL driver accelerator. The Accel 176 MHZ β0=0.09 and β0=0.15 HWR lattice was extended to 90 MeV based on the LNL 352 MHZ β0=0.31 HWR. The matching between both lattices ensures smooth transition and the possibility to extend the accelerator to the required EURISOL ion energy.

  1. Education for Dynamic Economies: Action Plan To Accelerate Progress towards Education for All (EFA).

    Science.gov (United States)

    World Bank, Washington, DC.

    The World Bank's development committee met and reviewed the paper, "Education for Dynamic Economies." The paper assessed progress and identified key issues and challenges in meeting the goals of universal primary education. It concluded that these goals were unlikely to be attained without accelerated action at the country level and a…

  2. Glassy carbon based supercapacitor stacks

    Energy Technology Data Exchange (ETDEWEB)

    Baertsch, M.; Braun, A.; Koetz, R.; Haas, O. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    Considerable effort is being made to develop electrochemical double layer capacitors (EDLC) that store relatively large quantities of electrical energy and possess at the same time a high power density. Our previous work has shown that glassy carbon is suitable as a material for capacitor electrodes concerning low resistance and high capacity requirements. We present the development of bipolar electrochemical glassy carbon capacitor stacks of up to 3 V. Bipolar stacks are an efficient way to meet the high voltage and high power density requirements for traction applications. Impedance and cyclic voltammogram measurements are reported here and show the frequency response of a 1, 2, and 3 V stack. (author) 3 figs., 1 ref..

  3. Thermal expansion of glassy polymers.

    Science.gov (United States)

    Davy, K W; Braden, M

    1992-01-01

    The thermal expansion of a number of glassy polymers of interest in dentistry has been studied using a quartz dilatometer. In some cases, the expansion was linear and therefore the coefficient of thermal expansion readily determined. Other polymers exhibited non-linear behaviour and values appropriate to different temperature ranges are quoted. The linear coefficient of thermal expansion was, to a first approximation, a function of both the molar volume and van der Waal's volume of the repeating unit.

  4. Dynamics of Particles in Non Scaling Fixed Field Alternating Gradient Accelerators

    Directory of Open Access Journals (Sweden)

    Jones J. K.

    2010-01-01

    Full Text Available Non scaling Fixed-Field Alternating Gradient (FFAG accelerators have an unprece- dented potential for muon acceleration, as well as for medical purposes based on car- bon and proton hadron therapy. They also represent a possible active element for an Accelerator Driven Subcritical Reactor (ADSR. Starting from first principle the Hamil- tonian formalism for the description of the dynamics of particles in non-scaling FFAG machines has been developed. The stationary reference (closed orbit has been found within the Hamiltonian framework. The dependence of the path length on the energy deviation has been described in terms of higher order dispersion functions. The latter have been used subsequently to specify the longitudinal part of the Hamiltonian. It has been shown that higher order phase slip coefficients should be taken into account to adequately describe the acceleration in non-scaling FFAG accelerators. A complete theory of the fast (serpentine acceleration in non-scaling FFAGs has been developed. An example of the theory is presented for the parameters of the Electron Machine with Many Applications (EMMA, a prototype electron non-scaling FFAG to be hosted at Daresbury Laboratory.

  5. Dynamics of Particles in Non Scaling Fixed Field Alternating Gradient Accelerators

    Directory of Open Access Journals (Sweden)

    Tzenov S. I.

    2010-01-01

    Full Text Available Non scaling Fixed-Field Alternating Gradient (FFAG accelerators have an unprecedented potential for muon acceleration, as well as for medical purposes based on carbon and proton hadron therapy. They also represent a possible active element for an Accelerator Driven Subcritical Reactor (ADSR. Starting from first principle the Hamiltonian formalism for the description of the dynamics of particles in non-scaling FFAG machines has been developed. The stationary reference (closed orbit has been found within the Hamiltonian framework. The dependence of the path length on the energy deviation has been described in terms of higher order dispersion functions. The latter have been used subsequently to specify the longitudinal part of the Hamiltonian. It has been shown that higher order phase slip coefficients should be taken into account to adequately describe the acceleration in non-scaling FFAG accelerators. A complete theory of the fast (serpentine acceleration in non-scaling FFAGs has been developed. An example of the theory is presented for the parameters of the Electron Machine with Many Applications (EMMA, a prototype electron non-scaling FFAG to be hosted at Daresbury Laboratory.

  6. Simulation of the relativistic electron dynamics and acceleration in a linearly-chirped laser pulse

    CERN Document Server

    Jisrawi, Najeh M; Salamin, Yousef I

    2014-01-01

    Theoretical investigations are presented, and their results are discussed, of the laser acceleration of a single electron by a chirped pulse. Fields of the pulse are modeled by simple plane-wave oscillations and a $\\cos^2$ envelope. The dynamics emerge from analytic and numerical solutions to the relativistic Lorentz-Newton equations of motion of the electron in the fields of the pulse. All simulations have been carried out by independent Mathematica and Python codes, with identical results. Configurations of acceleration from a position of rest as well as from injection, axially and sideways, at initial relativistic speeds are studied.

  7. Enhanced Proton Acceleration by an Ultrashort Laser Interaction with Structured Dynamic Plasma Targets

    CERN Document Server

    Zigler, A; Botton, M; Nahum, E; Schleifer, E; Baspaly, A; Pomerantz, Y; Abicht, F; Branzel, J; Priebe, G; Steinke, S; Andreev, A; Schnuerer, M; Sandner, W; Gordon, D; Sprangle, P; Ledingham, K W D

    2013-01-01

    We experimentally demonstrate a notably enhanced acceleration of protons to high energy by relatively modest ultrashort laser pulses and structured dynamical plasma targets. Realized by special deposition of snow targets on sapphire substrates and using carefully planned pre-pulses, high proton yield emitted in a narrow solid angle with energy above 21MeV were detected from a 5TW laser. Our simulations predict that using the proposed scheme protons can be accelerated to energies above 150MeV by 100TW laser systems.

  8. A stochastic model for the semiclassical collective dynamics of charged beams in particle accelerators

    CERN Document Server

    De Martino, S; Illuminati, F; Martino, Salvatore De; Siena, Silvio De; Illuminati, Fabrizio

    1999-01-01

    A recent proposal (see quant-ph/9803068) to simulate semiclassical corrections to classical dynamics by suitable classical stochastic fluctuations is applied to the specific instance of charged beam dynamics in particle accelerators. The resulting picture is that the collective beam dynamics, at the leading semiclassical order in Planck constant can be described by a particular diffusion process, the Nelson process, which is time-reversal invariant. Its diffusion coefficient $\\sqrt{N}\\lambda_{c}$ represents a semiclassical unit of emittance (here $N$ is the number of particles in the beam, and $\\lambda_{c}$ is the Compton wavelength). The stochastic dynamics of the Nelson type can be easily recast in the form of a Schroedinger equation, with the semiclassical unit of emittance replacing Planck constant. Therefore we provide a physical foundation to the several quantum-like models of beam dynamics proposed in recent years. We also briefly touch upon applications of the Nelson and Schroedinger formalisms to inc...

  9. Dynamics of electron injection and acceleration driven by laser wakefield in tailored density profiles

    Science.gov (United States)

    Lee, P.; Maynard, G.; Audet, T. L.; Cros, B.; Lehe, R.; Vay, J.-L.

    2016-11-01

    The dynamics of electron acceleration driven by laser wakefield is studied in detail using the particle-in-cell code WARP with the objective to generate high-quality electron bunches with narrow energy spread and small emittance, relevant for the electron injector of a multistage accelerator. Simulation results, using experimentally achievable parameters, show that electron bunches with an energy spread of ˜11 % can be obtained by using an ionization-induced injection mechanism in a mm-scale length plasma. By controlling the focusing of a moderate laser power and tailoring the longitudinal plasma density profile, the electron injection beginning and end positions can be adjusted, while the electron energy can be finely tuned in the last acceleration section.

  10. On higher ground: how well can dynamic body acceleration determine speed in variable terrain?

    Directory of Open Access Journals (Sweden)

    Owen R Bidder

    Full Text Available INTRODUCTION: Animal travel speed is an ecologically significant parameter, with implications for the study of energetics and animal behaviour. It is also necessary for the calculation of animal paths by dead-reckoning. Dead-reckoning uses heading and speed to calculate an animal's path through its environment on a fine scale. It is often used in aquatic environments, where transmission telemetry is difficult. However, its adoption for tracking terrestrial animals is limited by our ability to measure speed accurately on a fine scale. Recently, tri-axial accelerometers have shown promise for estimating speed, but their accuracy appears affected by changes in substrate and surface gradients. The purpose of the present study was to evaluate four metrics of acceleration; Overall dynamic body acceleration (ODBA, vectorial dynamic body acceleration (VDBA, acceleration peak frequency and acceleration peak amplitude, as proxies for speed over hard, soft and inclined surfaces, using humans as a model species. RESULTS: A general linear model (GLM showed a significant difference in the relationships between the metrics and speed depending on substrate or surface gradient. When the data from all surface types were considered together, VeDBA had the highest coefficient of determination. CONCLUSIONS: All of the metrics showed some variation in their relationship with speed according to the surface type. This indicates that changes in the substrate or surface gradient during locomotion by animals would produce errors in speed estimates, and also in dead-reckoned tracks if they were calculated from speeds based entirely on a priori calibrations. However, we describe a method by which the relationship between acceleration metrics and speed can be corrected ad hoc, until tracks accord with periodic ground truthed positions, obtained via a secondary means (e.g. VHF or GPS telemetry. In this way, dead-reckoning provides a means to obtain fine scale movement data

  11. Probing lattice dynamics in silicon with laser-wakefield accelerated electrons

    Science.gov (United States)

    Nees, John; He, Z.-H.; Thomas, A. G. R.; Krushelnick, Karl; Scott, S.; Legally, M.; Beaurepaire, B.; Gallé, G.; Faure, J.

    2016-10-01

    Laser wakefield acceleration is the key technology in a new breed of electron and photon beam sources that operate in the ultrafast domain. We show that the spatial and temporal properties of wakefield-generated electron beams can be manipulated to enable them interrogate ultrafast lattice dynamics in freestanding single-crystal silicon membranes, while maintaining spatial resolution on the atomic scale. In particular, picosecond resolution of Si lattice dynamics is obtained by recording streaked electron diffraction peaks using static magnetic fields. We will also discuss the role of wave front control in establishing optimal beam characteristics and the significance of single-shot measurements. Michigan support from NSF PHY-1535628.

  12. Accelerated electronic structure-based molecular dynamics simulations of shock-induced chemistry

    Science.gov (United States)

    Cawkwell, Marc

    2015-06-01

    The initiation and progression of shock-induced chemistry in organic materials at moderate temperatures and pressures are slow on the time scales available to regular molecular dynamics simulations. Accessing the requisite time scales is particularly challenging if the interatomic bonding is modeled using accurate yet expensive methods based explicitly on electronic structure. We have combined fast, energy conserving extended Lagrangian Born-Oppenheimer molecular dynamics with the parallel replica accelerated molecular dynamics formalism to study the relatively sluggish shock-induced chemistry of benzene around 13-20 GPa. We model interatomic bonding in hydrocarbons using self-consistent tight binding theory with an accurate and transferable parameterization. Shock compression and its associated transient, non-equilibrium effects are captured explicitly by combining the universal liquid Hugoniot with a simple shrinking-cell boundary condition. A number of novel methods for improving the performance of reactive electronic structure-based molecular dynamics by adapting the self-consistent field procedure on-the-fly will also be discussed. The use of accelerated molecular dynamics has enabled us to follow the initial stages of the nucleation and growth of carbon clusters in benzene under thermodynamic conditions pertinent to experiments.

  13. Glassy dynamics of soft matter under 1D confinement: how irreversible adsorption affects molecular packing, mobility gradients and orientational polarization in thin films.

    Science.gov (United States)

    Napolitano, Simone; Capponi, Simona; Vanroy, Bram

    2013-06-01

    The structural dynamics of polymers and simple liquids confined at the nanometer scale has been intensively investigated in the last two decades in order to test the validity of theories on the glass transition predicting a characteristic length scale of a few nanometers. Although this goal has not yet been reached, the anomalous behavior displayed by some systems--e.g. thin films of polystyrene exhibit reductions of Tg exceeding 70 K and a tremendous increase in the elastic modulus--has attracted a broad community of researchers, and provided astonishing advancement of both theoretical and experimental soft matter physics. 1D confinement is achieved in thin films, which are commonly treated as systems at thermodynamic equilibrium where free surfaces and solid interfaces introduce monotonous mobility gradients, extending for several molecular sizes. Limiting the discussion to finite-size and interfacial effects implies that film thickness and surface interactions should be sufficient to univocally determine the deviation from bulk behavior. On the contrary, such an oversimplified picture, although intuitive, cannot explain phenomena like the enhancement of segmental mobility in proximity of an adsorbing interface, or the presence of long-lasting metastable states in the liquid state. Based on our recent work, we propose a new picture on the dynamics of soft matter confined in ultrathin films, focusing on non-equilibrium and on the impact of irreversibly chain adsorption on the structural relaxation. We describe the enhancement of dynamics in terms of the excess in interfacial free volume, originating from packing frustration in the adsorbed layer (Guiselin brush) at t(*) ≪ 1, where t(*) is the ratio between the annealing time and the time scale of adsorption. Prolonged annealing at times exceeding the reptation time (usually t(*) ≫ 1 induces densification, and thus reduces the deviation from bulk behavior. In this Colloquium, after reviewing the experimental

  14. Single Particle Dynamics in a Quasi-Integrable Nonlinear Accelerator Lattice

    Energy Technology Data Exchange (ETDEWEB)

    Antipov, Sergey A. [Chicago U.; Nagaitsev, Sergei [Fermilab; Valishev, Alexander [Fermilab

    2016-04-28

    Fermilab is constructing the Integrable Optics Test Accelerator (IOTA) as the centerpiece of the Accelerator R&D Program towards high-intensity circular machines. One of the factors limiting the beam intensity in present circular accelerators is collective instabilities, which can be suppressed by a spread of betatron frequencies (tunes) through the Landau damping mechanism or by an external damper, if the instability is slow enough. The spread is usually created by octupole magnets, which introduce the tune dependence on the amplitude and, in some cases, by a chromatic spread (tune dependence on particle's momentum). The introduction of octupoles usually lead to a resonant behavior and a reduction of the dynamic aperture. One of the goals of the IOTA research program is to achieve a high betatron tune spread, while retaining a large dynamic aperture using conventional octupole magnets in a special but realistic accelerator configuration. In this report, we present results of computer simulations of an electron beam in the IOTA by particle tracking and the Frequency Map Analysis. The results show that the ring's octupole magnets can be configured to provide a betatron tune shift of 0.08 (for particles at large amplitudes) with the dynamical aperture of over 20 beam sigma for a 150-MeV electron beam. The influence of the synchrotron motion, lattice errors, and magnet imperfections is insignificant for the parameters and levels of tolerances set by the design of the ring. The described octupole insert could be beneficial for suppression of space-charge induced instabilities in high intensity machines.

  15. Ending Aging in Super Glassy Polymer Membranes

    Energy Technology Data Exchange (ETDEWEB)

    Lau, CH; Nguyen, PT; Hill, MR; Thornton, AW; Konstas, K; Doherty, CM; Mulder, RJ; Bourgeois, L; Liu, ACY; Sprouster, DJ; Sullivan, JP; Bastow, TJ; Hill, AJ; Gin, DL; Noble, RD

    2014-04-16

    Aging in super glassy polymers such as poly(trimethylsilylpropyne) (PTMSP), poly(4-methyl-2-pentyne) (PMP), and polymers with intrinsic microporosity (PIM-1) reduces gas permeabilities and limits their application as gas-separation membranes. While super glassy polymers are initially very porous, and ultra-permeable, they quickly pack into a denser phase becoming less porous and permeable. This age-old problem has been solved by adding an ultraporous additive that maintains the low density, porous, initial stage of super glassy polymers through absorbing a portion of the polymer chains within its pores thereby holding the chains in their open position. This result is the first time that aging in super glassy polymers is inhibited whilst maintaining enhanced CO2 permeability for one year and improving CO2/N-2 selectivity. This approach could allow super glassy polymers to be revisited for commercial application in gas separations.

  16. GPU-accelerated Tersoff potentials for massively parallel Molecular Dynamics simulations

    Science.gov (United States)

    Nguyen, Trung Dac

    2017-03-01

    The Tersoff potential is one of the empirical many-body potentials that has been widely used in simulation studies at atomic scales. Unlike pair-wise potentials, the Tersoff potential involves three-body terms, which require much more arithmetic operations and data dependency. In this contribution, we have implemented the GPU-accelerated version of several variants of the Tersoff potential for LAMMPS, an open-source massively parallel Molecular Dynamics code. Compared to the existing MPI implementation in LAMMPS, the GPU implementation exhibits a better scalability and offers a speedup of 2.2X when run on 1000 compute nodes on the Titan supercomputer. On a single node, the speedup ranges from 2.0 to 8.0 times, depending on the number of atoms per GPU and hardware configurations. The most notable features of our GPU-accelerated version include its design for MPI/accelerator heterogeneous parallelism, its compatibility with other functionalities in LAMMPS, its ability to give deterministic results and to support both NVIDIA CUDA- and OpenCL-enabled accelerators. Our implementation is now part of the GPU package in LAMMPS and accessible for public use.

  17. Identification of electrically stimulated quadriceps - lower leg dynamics - the use of accelerometers for estimating knee joint acceleration and quadriceps torque

    NARCIS (Netherlands)

    Veltink, Peter H.; Tijsmans, Roel; Franken, Henry M.; Boom, Herman B.K.

    1992-01-01

    Knee joiiit acceleration aid quadriceps torque call be estbated from the signals of two tangentially yliiced accelerometers. This euables the ideutificatiou of qundriceps dynamics, loaded with a freely swiugiug lower leg, during electrical stimulation.

  18. Electron-beam dynamics for an advanced flash-radiography accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Ekdahl, Carl August Jr. [Los Alamos National Laboratory

    2015-06-22

    Beam dynamics issues were assessed for a new linear induction electron accelerator. Special attention was paid to equilibrium beam transport, possible emittance growth, and beam stability. Especially problematic would be high-frequency beam instabilities that could blur individual radiographic source spots, low-frequency beam motion that could cause pulse-to-pulse spot displacement, and emittance growth that could enlarge the source spots. Beam physics issues were examined through theoretical analysis and computer simulations, including particle-in cell (PIC) codes. Beam instabilities investigated included beam breakup (BBU), image displacement, diocotron, parametric envelope, ion hose, and the resistive wall instability. Beam corkscrew motion and emittance growth from beam mismatch were also studied. It was concluded that a beam with radiographic quality equivalent to the present accelerators at Los Alamos will result if the same engineering standards and construction details are upheld.

  19. Radiative damping and electron beam dynamics in plasma-based accelerators.

    Science.gov (United States)

    Michel, P; Schroeder, C B; Shadwick, B A; Esarey, E; Leemans, W P

    2006-08-01

    The effects of radiation reaction on electron beam dynamics are studied in the context of plasma-based accelerators. Electrons accelerated in a plasma channel undergo transverse betatron oscillations due to strong focusing forces. These oscillations lead to emission by the electrons of synchrotron radiation, with a corresponding energy loss that affects the beam properties. An analytical model for the single particle orbits and beam moments including the classical radiation reaction force is derived and compared to the results of a particle transport code. Since the betatron amplitude depends on the initial transverse position of the electron, the resulting radiation can increase the relative energy spread of the beam to significant levels (e.g., several percent). This effect can be diminished by matching the beam into the channel, which could require micron sized beam radii for typical values of the beam emittance and plasma density.

  20. Radiative damping and electron beam dynamics in plasma-based accelerators

    Science.gov (United States)

    Michel, P.; Schroeder, C. B.; Shadwick, B. A.; Esarey, E.; Leemans, W. P.

    2006-08-01

    The effects of radiation reaction on electron beam dynamics are studied in the context of plasma-based accelerators. Electrons accelerated in a plasma channel undergo transverse betatron oscillations due to strong focusing forces. These oscillations lead to emission by the electrons of synchrotron radiation, with a corresponding energy loss that affects the beam properties. An analytical model for the single particle orbits and beam moments including the classical radiation reaction force is derived and compared to the results of a particle transport code. Since the betatron amplitude depends on the initial transverse position of the electron, the resulting radiation can increase the relative energy spread of the beam to significant levels (e.g., several percent). This effect can be diminished by matching the beam into the channel, which could require micron sized beam radii for typical values of the beam emittance and plasma density.

  1. Beam Dynamics Design Studies of a Superconducting Radioactive Ion Beam Post-accelerator

    CERN Document Server

    Fraser, MA; Pasini, M

    2011-01-01

    The HIE-ISOLDE project at CERN proposes a superconducting upgrade to increase the energy range and quality of the radioactive ion beams produced at ISOLDE, which are currently post- accelerated by the normal conducting REX linac. The specification and design choices for the HIE-ISOLDE linac are outlined along with a comprehensive beam dynamics study undertaken to understand and mitigate the sources of beam emittance dilution. The dominant cause of transverse emittance growth was attributed to the coupling between the transverse and longitudinal motions through the phase dependence of the rf defocusing force in the accelerating cavities. A parametric resonance induced by the coupling was observed and its excitation surveyed as a function of trans- verse phase advance using numerical simulations and analytic models to understand and avoid the regions of transverse beam instability. Other sources of emittance growth were studied and where necessary ameliorated, including the beam steering force in the quarter-wa...

  2. Acceleration of conventional data acquisition in dynamic contrast enhancement: comparing keyhole approaches with compressive sensing.

    Science.gov (United States)

    Geethanath, Sairam; Gulaka, Praveen K; Kodibagkar, Vikram D

    2014-01-01

    Dynamic contrast-enhanced (DCE) magnetic resonance imaging (MRI) has become a valuable clinical tool for cancer diagnosis and prognosis. DCE MRI provides pharmacokinetic parameters dependent on the extravasation of small molecular contrast agents, and thus high temporal resolution and/or spatial resolution is required for accurate estimation of parameters. In this article we investigate the efficacy of 2 undersampling approaches to speed up DCE MRI: a conventional keyhole approach and compressed sensing-based imaging. Data reconstructed from variants of these methods has been compared with the full k-space reconstruction with respect to data quality and pharmacokinetic parameters Ktrans and ve. Overall, compressive sensing provides better data quality and reproducible parametric maps than key-hole methods with higher acceleration factors. In particular, an undersampling mask based on a priori precontrast data showed high fidelity of reconstructed data and parametric maps up to 5× acceleration.

  3. Molecular dynamics-based virtual screening: accelerating the drug discovery process by high-performance computing.

    Science.gov (United States)

    Ge, Hu; Wang, Yu; Li, Chanjuan; Chen, Nanhao; Xie, Yufang; Xu, Mengyan; He, Yingyan; Gu, Xinchun; Wu, Ruibo; Gu, Qiong; Zeng, Liang; Xu, Jun

    2013-10-28

    High-performance computing (HPC) has become a state strategic technology in a number of countries. One hypothesis is that HPC can accelerate biopharmaceutical innovation. Our experimental data demonstrate that HPC can significantly accelerate biopharmaceutical innovation by employing molecular dynamics-based virtual screening (MDVS). Without using HPC, MDVS for a 10K compound library with tens of nanoseconds of MD simulations requires years of computer time. In contrast, a state of the art HPC can be 600 times faster than an eight-core PC server is in screening a typical drug target (which contains about 40K atoms). Also, careful design of the GPU/CPU architecture can reduce the HPC costs. However, the communication cost of parallel computing is a bottleneck that acts as the main limit of further virtual screening improvements for drug innovations.

  4. Understanding soft glassy materials using an energy landscape approach

    Science.gov (United States)

    Hwang, Hyun Joo; Riggleman, Robert A.; Crocker, John C.

    2016-09-01

    Many seemingly different soft materials--such as soap foams, mayonnaise, toothpaste and living cells--display strikingly similar viscoelastic behaviour. A fundamental physical understanding of such soft glassy rheology and how it can manifest in such diverse materials, however, remains unknown. Here, by using a model soap foam consisting of compressible spherical bubbles, whose sizes slowly evolve and whose collective motion is simply dictated by energy minimization, we study the foam's dynamics as it corresponds to downhill motion on an energy landscape function spanning a high-dimensional configuration space. We find that these downhill paths, when viewed in this configuration space, are, surprisingly, fractal. The complex behaviour of our model, including power-law rheology and non-diffusive bubble motion and avalanches, stems directly from the fractal dimension and energy function of these paths. Our results suggest that ubiquitous soft glassy rheology may be a consequence of emergent fractal geometry in the energy landscapes of many complex fluids.

  5. Direct imaging of the dynamics of a laser-plasma accelerator operating in the bubble-regime

    CERN Document Server

    Sävert, A; Schnell, M; Cole, J M; Nicolai, M; Reuter, M; Schwab, M B; Möller, M; Poder, K; Jäckel, O; Paulus, G G; Spielmann, C; Najmudin, Z; Kaluza, M C

    2014-01-01

    Laser-plasma accelerators operating in the bubble-regime generate quasi-monoenergetic multi-gigaelectronvolt electron beams with femtosecond duration and micrometre size. These beams are produced by accelerating in laser-driven plasma waves in only centimetre distances. Hence they have the potential to be compact alternatives to conventional accelerators. However, since the plasma wave moves at ultra-relativistic speed making detailed observation extremely difficult, most of our current understanding has been gained from high-performance computer simulations. Here, we present experimental results from an ultra-fast optical imaging technique visualising for the first time the non-linear dynamics in a laser-plasma accelerator. By freezing the relativistic motion of the plasma wave, our measurements reveal insight of unprecedented detail. In particular, we observe the plasma wave's non-linear formation, breaking, and transformation into a single bubble for the first time. Understanding the acceleration dynamics ...

  6. Zebrafish scales respond differently to in vitro dynamic and static acceleration: analysis of interaction between osteoblasts and osteoclasts.

    Science.gov (United States)

    Kitamura, Kei-ichiro; Takahira, Koh; Inari, Masato; Satoh, Yusuke; Hayakawa, Kazuichi; Tabuchi, Yoshiaki; Ogai, Kazuhiro; Nishiuchi, Takumi; Kondo, Takashi; Mikuni-Takagaki, Yuko; Chen, Wenxi; Hattori, Atsuhiko; Suzuki, Nobuo

    2013-09-01

    Zebrafish scales consist of bone-forming osteoblasts, bone-resorbing osteoclasts, and calcified bone matrix. To elucidate the underlying molecular mechanism of the effects induced by dynamic and static acceleration, we investigated the scale osteoblast- and osteoclast-specific marker gene expression involving osteoblast-osteoclast communication molecules. Osteoblasts express RANKL, which binds to the osteoclast surface receptor, RANK, and stimulates bone resorption. OPG, on the other hand, is secreted by osteoblast as a decoy receptor for RANKL, prevents RANKL from binding to RANK and thus prevents bone resorption. Therefore, the RANK-RANKL-OPG pathway contributes to the regulation of osteoclastogenesis by osteoblasts. Semaphorin 4D, in contrast, is expressed on osteoclasts, and binding to its receptor Plexin-B1 on osteoblasts results in suppression of bone formation. In the present study, we found that both dynamic and static acceleration at 3.0×g decreased RANKL/OPG ratio and increased osteoblast-specific functional mRNA such as alkaline phosphatase, while static acceleration increased and dynamic acceleration decreased osteoclast-specific mRNA such as cathepsin K. Static acceleration increased semaphorin 4D mRNA expression, while dynamic acceleration had no effect. The results of the present study indicated that osteoclasts have predominant control over bone metabolism via semaphorin 4D expression induced by static acceleration at 3.0×g.

  7. Beam dynamics design of the main accelerating section with KONUS in the CSR-LINAC

    CERN Document Server

    Xiao-Hu, Zhang; Jia-Wen, Xia; Xue-Jun, Yin; Heng, Du

    2013-01-01

    The CSR-LINAC injector has been proposed in Heavy Ion Research Facility in Lanzhou (HIRFL). The linac mainly consists of two parts, the RFQ and the IH-DTL. The KONUS (Kombinierte Null Grad Struktur) concept has been introduced into the DTL section. In this paper, the re-matching of the main accelerating section will be finished in the 3.7 MeV/u scheme and the new beam dynamics design up to 7 MeV/u will be also shown. Through the beam re-matching, the relative emittance growth has been suppressed greatly along the linac.

  8. Accelerating the convergence of path integral dynamics with a generalized Langevin equation.

    Science.gov (United States)

    Ceriotti, Michele; Manolopoulos, David E; Parrinello, Michele

    2011-02-28

    The quantum nature of nuclei plays an important role in the accurate modelling of light atoms such as hydrogen, but it is often neglected in simulations due to the high computational overhead involved. It has recently been shown that zero-point energy effects can be included comparatively cheaply in simulations of harmonic and quasiharmonic systems by augmenting classical molecular dynamics with a generalized Langevin equation (GLE). Here we describe how a similar approach can be used to accelerate the convergence of path integral (PI) molecular dynamics to the exact quantum mechanical result in more strongly anharmonic systems exhibiting both zero point energy and tunnelling effects. The resulting PI-GLE method is illustrated with applications to a double-well tunnelling problem and to liquid water.

  9. Fast and dynamic generation of linear octrees for geological bodies under hardware acceleration

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    In the application of 3D Geoscience Modeling,we often need to generate the volumetric representations of geological bodies from their surface representations.Linear octree,as an efficient and easily operated volumetric model,is widely used in 3D Geoscience Modeling.This paper proposes an algorithm for fast and dynamic generation of linear octrees of geological bodies from their surface models under hardware acceleration.The Z-buffers are used to determine the attributes of octants and voxels in a fast way,and a divide-and-conquer strategy is adopted.A stack structure is exploited to record the subdivision,which allows generating linear octrees dynamically.The algorithm avoids large-scale sorting process and bypasses the compression in linear octrees generation.Experimental results indicate its high efficiency in generating linear octrees for large-scale geologic bodies.

  10. Accelerated molecular dynamics and equation-free methods for simulating diffusion in solids.

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Jie; Zimmerman, Jonathan A.; Thompson, Aidan Patrick; Brown, William Michael (Oak Ridge National Laboratories, Oak Ridge, TN); Plimpton, Steven James; Zhou, Xiao Wang; Wagner, Gregory John; Erickson, Lindsay Crowl

    2011-09-01

    Many of the most important and hardest-to-solve problems related to the synthesis, performance, and aging of materials involve diffusion through the material or along surfaces and interfaces. These diffusion processes are driven by motions at the atomic scale, but traditional atomistic simulation methods such as molecular dynamics are limited to very short timescales on the order of the atomic vibration period (less than a picosecond), while macroscale diffusion takes place over timescales many orders of magnitude larger. We have completed an LDRD project with the goal of developing and implementing new simulation tools to overcome this timescale problem. In particular, we have focused on two main classes of methods: accelerated molecular dynamics methods that seek to extend the timescale attainable in atomistic simulations, and so-called 'equation-free' methods that combine a fine scale atomistic description of a system with a slower, coarse scale description in order to project the system forward over long times.

  11. Dynamic inversion method based on the time-staggered stereo-modeling scheme and its acceleration

    Science.gov (United States)

    Jing, Hao; Yang, Dinghui; Wu, Hao

    2016-12-01

    A set of second-order differential equations describing the space-time behaviour of derivatives of displacement with respect to model parameters (i.e. waveform sensitivities) is obtained via taking the derivative of the original wave equations. The dynamic inversion method obtains sensitivities of the seismic displacement field with respect to earth properties directly by solving differential equations for them instead of constructing sensitivities from the displacement field itself. In this study, we have taken a new perspective on the dynamic inversion method and used acceleration approaches to reduce the computational time and memory usage to improve its ability of performing high-resolution imaging. The dynamic inversion method, which can simultaneously use different waves and multicomponent observation data, is appropriate for directly inverting elastic parameters, medium density or wave velocities. Full wavefield information is utilized as much as possible at the expense of a larger amount of calculations. To mitigate the computational burden, two ways are proposed to accelerate the method from a computer-implementation point of view. One is source encoding which uses a linear combination of all shots, and the other is to reduce the amount of calculations on forward modeling. We applied a new finite-difference (FD) method to the dynamic inversion to improve the computational accuracy and speed up the performance. Numerical experiments indicated that the new FD method can effectively suppress the numerical dispersion caused by the discretization of wave equations, resulting in enhanced computational efficiency with less memory cost for seismic modeling and inversion based on the full wave equations. We present some inversion results to demonstrate the validity of this method through both checkerboard and Marmousi models. It shows that this method is also convergent even with big deviations for the initial model. Besides, parallel calculations can be easily

  12. Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units.

    Science.gov (United States)

    Lindert, Steffen; Bucher, Denis; Eastman, Peter; Pande, Vijay; McCammon, J Andrew

    2013-11-12

    The accelerated molecular dynamics (aMD) method has recently been shown to enhance the sampling of biomolecules in molecular dynamics (MD) simulations, often by several orders of magnitude. Here, we describe an implementation of the aMD method for the OpenMM application layer that takes full advantage of graphics processing units (GPUs) computing. The aMD method is shown to work in combination with the AMOEBA polarizable force field (AMOEBA-aMD), allowing the simulation of long time-scale events with a polarizable force field. Benchmarks are provided to show that the AMOEBA-aMD method is efficiently implemented and produces accurate results in its standard parametrization. For the BPTI protein, we demonstrate that the protein structure described with AMOEBA remains stable even on the extended time scales accessed at high levels of accelerations. For the DNA repair metalloenzyme endonuclease IV, we show that the use of the AMOEBA force field is a significant improvement over fixed charged models for describing the enzyme active-site. The new AMOEBA-aMD method is publicly available (http://wiki.simtk.org/openmm/VirtualRepository) and promises to be interesting for studying complex systems that can benefit from both the use of a polarizable force field and enhanced sampling.

  13. Polynomial chaos expansion in structural dynamics: Accelerating the convergence of the first two statistical moment sequences

    Science.gov (United States)

    Jacquelin, E.; Adhikari, S.; Sinou, J.-J.; Friswell, M. I.

    2015-11-01

    Polynomial chaos solution for the frequency response of linear non-proportionally damped dynamic systems has been considered. It has been observed that for lightly damped systems the convergence of the solution can be very poor in the vicinity of the deterministic resonance frequencies. To address this, Aitken's transformation and its generalizations are suggested. The proposed approach is successfully applied to the sequences defined by the first two moments of the responses, and this process significantly accelerates the polynomial chaos convergence. In particular, a 2-dof system with respectively 1 and 2 parameter uncertainties has been studied. The first two moments of the frequency response were calculated by Monte Carlo simulation, polynomial chaos expansion and Aitken's transformation of the polynomial chaos expansion. Whereas 200 polynomials are required to have a good agreement with Monte Carlo results around the deterministic eigenfrequencies, less than 50 polynomials transformed by the Aitken's method are enough. This latter result is improved if a generalization of Aitken's method (recursive Aitken's transformation, Shank's transformation) is applied. With the proposed convergence acceleration, polynomial chaos may be reconsidered as an efficient method to estimate the first two moments of a random dynamic response.

  14. Dynamical analysis of an accelerator-based fluid-fueled subcritical radioactive waste burning system

    Science.gov (United States)

    Woosley, Michael Louis, Jr.

    The recent revival of interest in accelerator-driven subcritical fluid-fueled systems is documented. Several important applications of these systems are mentioned. In particular, new applications have focused on the destruction of high-level radioactive waste. Systems can be designed to quickly destroy the actinides and long-lived fission products from light water reactor fuel, weapons plutonium, and other high-level defense wastes. The proposed development of these systems is used to motivate the need for the development of dynamic analysis methods for their nuclear kinetics. A physical description of the Los Alamos Accelerator-Based Conversion (ABC) concept is provided. This system is used as the basis for the kinetics study in this research. The current approach to the dynamic simulation of an accelerator-driven subcritical fluid-fueled system includes three elements: A discrete ordinates model is used to calculate the flux distribution for the source-driven system; A nodal convection model is used to calculate time-dependent isotope and temperature distributions which impact reactivity; A nodal importance weighting model is used to calculate the reactivity impact of temperature and isotope distributions and to feed this information back to the time-dependent nodal convection model. Specific transients which have been analyzed with the current modeling system are discussed. These transients include loss-of-flow and loss-of-cooling accidents, xenon and samarium transients, and cold-plug and overfueling events. The results of various transients have uncovered unpredictable behavior, unresolved design issues, and the need for active control. Modest initiating events can cause significant swings in system temperature and power. The circulation of the fluid fuel can lead to oscillations on the relatively short scale of the loop circulation time. The system responds quickly to reactivity changes because the large neutron source overwhelms the damping effect of delayed

  15. Glassy carbon coated graphite for nuclear applications

    Energy Technology Data Exchange (ETDEWEB)

    Delpeux, S.; Cacciaguerra, T.; Duclaux, L. [Orleans Univ., CRMD, CNRS, 45 (France)

    2005-07-01

    Taking into account the problems caused by the treatment of nuclear wastes, the molten salts breeder reactors are expected to a great development. They use a molten fluorinated salt (mixture of LiF, BeF{sub 2}, ThF{sub 4}, and UF{sub 4}) as fuel and coolant. The reactor core, made of graphite, is used as a neutrons moderator. Despite of its compatibility with nuclear environment, it appears crucial to improve the stability and inertness of graphite against the diffusion of chemicals species leading to its corrosion. One way is to cover the graphite surface by a protective impermeable deposit made of glassy carbon obtained by the pyrolysis of phenolic resin [1,2] or polyvinyl chloride [3] precursors. The main difficulty in the synthesis of glassy carbon is to create exclusively, in the primary pyrolysis product, a micro-porosity of about twenty Angstroms which closes later at higher temperature. Therefore, the evacuation of the volatile products occurring mainly between 330 and 600 C, must progress slowly to avoid the material to crack. In this study, the optimal parameters for the synthesis of glassy carbon as well as glassy carbon deposits on nuclear-type graphite pieces are discussed. Both thermal treatment of phenolic and PVC resins have been performed. The structure and micro-texture of glassy carbon have been investigated by X-ray diffraction, scanning and transmission electron microscopies and helium pycno-metry. Glassy carbon samples (obtained at 1200 C) show densities ranging from 1.3 to 1.55 g/cm{sup 3} and closed pores with nano-metric size ({approx} 5 to 10 nm) appear clearly on the TEM micrographs. Then, a thermal treatment to 2700 C leads to the shrinkage of the entangled graphene ribbons (Fig 1), in good agreement with the proposed texture model for glassy carbon (Fig 2) [4]. Glassy carbon deposits on nuclear graphite have been developed by an impregnation method. The uniformity of the deposit depends clearly on the surface texture and the chemistry

  16. Glassy carbon coated graphite for nuclear applications

    Energy Technology Data Exchange (ETDEWEB)

    Delpeux S; Cacciaguerra T; Duclaux L [CRMD, CNRS-University of Orleans, 1B rue de la Ferollerie 45071 Orleans Cedex 2, (France)

    2005-07-01

    Taking into account the problems caused by the treatment of nuclear wastes, the molten salts breeder reactors are expected to a great development. They use a molten fluorinated salt (mixture of LiF, BeF{sub 2}, ThF{sub 4}, and UF{sub 4}) as fuel and coolant. The reactor core, made of graphite, is used as a neutrons moderator. Despite of its compatibility with nuclear environment, it appears crucial to improve the stability and inertness of graphite against the diffusion of chemicals species leading to its corrosion. One way is to cover the graphite surface by a protective impermeable deposit made of glassy carbon obtained by the pyrolysis of phenolic resin or polyvinyl chloride precursors. The main difficulty in the synthesis of glassy carbon is to create exclusively, in the primary pyrolysis product, a micro-porosity of about twenty Angstroms which closes later at higher temperature. Therefore, the evacuation of the volatile products occurring mainly between 330 and 600 C, must progress slowly to avoid the material to crack. In this study, the optimal parameters for the synthesis of glassy carbon as well as glassy carbon deposits on nuclear-type graphite pieces are discussed. Both thermal treatment of phenolic and PVC resins have been performed. The structure and micro-texture of glassy carbon have been investigated by X-ray diffraction, scanning and transmission electron microscopies and helium pycno-metry. Glassy carbon samples (obtained at 1200 C) show densities ranging from 1.3 to 1.55 g/cm{sup 3} and closed pores with nano-metric size ({approx} 5 to 10 nm) appear clearly on the TEM micrographs. Then, a thermal treatment to 2700 C leads to the shrinkage of the entangled graphene ribbons, in good agreement with the proposed texture model for glassy carbon. Glassy carbon deposits on nuclear graphite have been developed by an impregnation method. The uniformity of the deposit depends clearly on the surface texture and the chemistry of the graphite substrate. The

  17. Molecular mobility in glassy dispersions

    Science.gov (United States)

    Mehta, Mehak; McKenna, Gregory B.; Suryanarayanan, Raj

    2016-05-01

    Dielectric spectroscopy was used to characterize the structural relaxation in pharmaceutical dispersions containing nifedipine (NIF) and either poly(vinyl) pyrrolidone (PVP) or hydroxypropyl methylcellulose acetate succinate (HPMCAS). The shape of the dielectric response (permittivity versus log time) curve was observed to be independent of temperature. Thus, for the pure NIF as well as the dispersions, the validity of the time-temperature superposition principle was established. Furthermore, though the shape of the full dielectric response varied with polymer concentration, the regime related to the α- or structural relaxation was found to superimpose for the dispersions, though not with the response of the NIF itself. Hence, there is a limited time-temperature-concentration superposition for these systems as well. Therefore, in this polymer concentration range, calculation of long relaxation times in these glass-forming systems becomes possible. We found that strong drug-polymer hydrogen bonding interactions improved the physical stability (i.e., delayed crystallization) by reducing the molecular mobility. The strength of hydrogen bonding, structural relaxation time, and crystallization followed the order: NIF-PV P>NIF-HPMCAS>NIF. With an increase in polymer concentration, the relaxation times were longer indicating a decrease in molecular mobility. The temperature dependence of relaxation time, in other words fragility, was independent of polymer concentration. This is the first application of the superposition principle to characterize structural relaxation in glassy pharmaceutical dispersions.

  18. Molecular mobility in glassy dispersions

    Energy Technology Data Exchange (ETDEWEB)

    Mehta, Mehak [Univ. of Minnesota, Minneapolis, MN (United States). Dept. of Pharmaceutics; McKenna, Gregory B. [Texas Tech Univ., Lubbock, TX (United States). Dept. of Chemical Engineering; Suryanarayanan, Raj [Univ. of Minnesota, Minneapolis, MN (United States). Dept. of Pharmaceutics

    2016-05-27

    Dielectric spectroscopy was used to characterize the structural relaxation in pharmaceutical dispersions containing nifedipine (NIF) and either poly(vinyl) pyrrolidone (PVP) or hydroxypropyl methylcellulose acetate succinate (HPMCAS). The shape of the dielectric response (permittivity versus log time) curve was observed to be independent of temperature. Thus, for the pure NIF as well as the dispersions, the validity of the time-temperature superposition principle was established. Furthermore, though the shape of the full dielectric response varied with polymer concentration, the regime related to the α- or structural relaxation was found to superimpose for the dispersions, though not with the response of the NIF itself. Hence, there is a limited time-temperature-concentration superposition for these systems as well. Therefore, in this polymer concentration range, calculation of long relaxation times in these glass-forming systems becomes possible. We found that strong drug-polymer hydrogen bonding interactions improved the physical stability (i.e., delayed crystallization) by reducing the molecular mobility. The strength of hydrogen bonding, structural relaxation time, and crystallization followed the order: NIF$-$PV P>NIF$-$HPMCAS>NIF. With an increase in polymer concentration, the relaxation times were longer indicating a decrease in molecular mobility. The temperature dependence of relaxation time, in other words fragility, was independent of polymer concentration. This is the first application of the superposition principle to characterize structural relaxation in glassy pharmaceutical dispersions.

  19. Electron beam dynamics in the long-pulse, high-current DARHT-II linear induction accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Ekdahl, Carl A [Los Alamos National Laboratory; Abeyta, Epifanio O [Los Alamos National Laboratory; Aragon, Paul [Los Alamos National Laboratory; Archuleta, Rita [Los Alamos National Laboratory; Cook, Gerald [Los Alamos National Laboratory; Dalmas, Dale [Los Alamos National Laboratory; Esquibel, Kevin [Los Alamos National Laboratory; Gallegos, Robert A [Los Alamos National Laboratory; Garnett, Robert [Los Alamos National Laboratory; Harrison, James F [Los Alamos National Laboratory; Johnson, Jeffrey B [Los Alamos National Laboratory; Jacquez, Edward B [Los Alamos National Laboratory; Mccuistian, Brian T [Los Alamos National Laboratory; Montoya, Nicholas A [Los Alamos National Laboratory; Nath, Subrato [Los Alamos National Laboratory; Nielsen, Kurt [Los Alamos National Laboratory; Oro, David [Los Alamos National Laboratory; Prichard, Benjamin [Los Alamos National Laboratory; Rowton, Lawrence [Los Alamos National Laboratory; Sanchez, Manolito [Los Alamos National Laboratory; Scarpetti, Raymond [Los Alamos National Laboratory; Schauer, Martin M [Los Alamos National Laboratory; Seitz, Gerald [Los Alamos National Laboratory; Schulze, Martin [Los Alamos National Laboratory; Bender, Howard A [Los Alamos National Laboratory; Broste, William B [Los Alamos National Laboratory; Carlson, Carl A [Los Alamos National Laboratory; Frayer, Daniel K [Los Alamos National Laboratory; Johnson, Douglas E [Los Alamos National Laboratory; Tom, C Y [Los Alamos National Laboratory; Williams, John [Los Alamos National Laboratory; Hughes, Thomas [Los Alamos National Laboratory; Anaya, Richard [LLNL; Caporaso, George [LLNL; Chambers, Frank [LLNL; Chen, Yu - Jiuan [LLNL; Falabella, Steve [LLNL; Guethlein, Gary [LLNL; Raymond, Brett [LLNL; Richardson, Roger [LLNL; Trainham, C [NSTEC/STL; Watson, Jim [LLNL; Weir, John [LLNL; Genoni, Thomas [VOSS; Toma, Carsten [VOSS

    2009-01-01

    The DARHT-II linear induction accelerator (LIA) now accelerates 2-kA electron beams to more than 17 MeV. This LIA is unique in that the accelerated current pulse width is greater than 2 microseconds. This pulse has a flat-top region where the final electron kinetic energy varies by less than 1% for more than 1.5 microseconds. The long risetime of the 6-cell injector current pulse is 0.5 {micro}s, which can be scraped off in a beam-head cleanup zone before entering the 68-cell main accelerator. We discuss our experience with tuning this novel accelerator; and present data for the resulting beam transport and dynamics. We also present beam stability data, and relate these to previous stability experiments at lower current and energy.

  20. Generating relevant kinetic Monte Carlo catalogs using temperature accelerated dynamics with control over the accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Chatterjee, Abhijit [Los Alamos National Laboratory; Voter, Arthur [Los Alamos National Laboratory

    2009-01-01

    We develop a variation of the temperature accelerated dynamics (TAD) method, called the p-TAD method, that efficiently generates an on-the-fly kinetic Monte Carlo (KMC) process catalog with control over the accuracy of the catalog. It is assumed that transition state theory is valid. The p-TAD method guarantees that processes relevant at the timescales of interest to the simulation are present in the catalog with a chosen confidence. A confidence measure associated with the process catalog is derived. The dynamics is then studied using the process catalog with the KMC method. Effective accuracy of a p-TAD calculation is derived when a KMC catalog is reused for conditions different from those the catalog was originally generated for. Different KMC catalog generation strategies that exploit the features of the p-TAD method and ensure higher accuracy and/or computational efficiency are presented. The accuracy and the computational requirements of the p-TAD method are assessed. Comparisons to the original TAD method are made. As an example, we study dynamics in sub-monolayer Ag/Cu(110) at the time scale of seconds using the p-TAD method. It is demonstrated that the p-TAD method overcomes several challenges plaguing the conventional KMC method.

  1. The PyZgoubi framework and the simulation of dynamic aperture in fixed-field alternating-gradient accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Tygier, S., E-mail: sam.tygier@hep.manchester.ac.uk [Cockcroft Accelerator Group, The University of Manchester (United Kingdom); Appleby, R.B., E-mail: robert.appleby@manchester.ac.uk [Cockcroft Accelerator Group, The University of Manchester (United Kingdom); Garland, J.M. [Cockcroft Accelerator Group, The University of Manchester (United Kingdom); Hock, K. [University of Liverpool (United Kingdom); Owen, H. [Cockcroft Accelerator Group, The University of Manchester (United Kingdom); Kelliher, D.J.; Sheehy, S.L. [STFC Rutherford Appleton Laboratory (United Kingdom)

    2015-03-01

    We present PyZgoubi, a framework that has been developed based on the tracking engine Zgoubi to model, optimise and visualise the dynamics in particle accelerators, especially fixed-field alternating-gradient (FFAG) accelerators. We show that PyZgoubi abstracts Zgoubi by wrapping it in an easy-to-use Python framework in order to allow simple construction, parameterisation, visualisation and optimisation of FFAG accelerator lattices. Its object oriented design gives it the flexibility and extensibility required for current novel FFAG design. We apply PyZgoubi to two example FFAGs; this includes determining the dynamic aperture of the PAMELA medical FFAG in the presence of magnet misalignments, and illustrating how PyZgoubi may be used to optimise FFAGs. We also discuss a robust definition of dynamic aperture in an FFAG and show its implementation in PyZgoubi.

  2. Evaluation of Dynamic Mechanical Loading as an Accelerated Test Method for Ribbon Fatigue

    Energy Technology Data Exchange (ETDEWEB)

    Bosco, Nick; Silverman, Timothy J.; Wohlgemuth, John; Kurtz, Sarah; Inoue, Masanao; Sakurai, Keiichiro; Shioda, Tsuyoshi; Zenkoh, Hirofumi; Hirota, Kusato; Miyashita, Masanori; Tadanori, Tanahashi; Suzuki, Soh; Chen, Yifeng; Verlinden, Pierre J.

    2014-12-31

    Dynamic Mechanical Loading (DML) of photovoltaic modules is explored as a route to quickly fatigue copper interconnect ribbons. Results indicate that most of the interconnect ribbons may be strained through module mechanical loading to a level that will result in failure in a few hundred to thousands of cycles. Considering the speed at which DML may be applied, this translates into a few hours of testing. To evaluate the equivalence of DML to thermal cycling, parallel tests were conducted with thermal cycling. Preliminary analysis suggests that one +/-1 kPa DML cycle is roughly equivalent to one standard accelerated thermal cycle and approximately 175 of these cycles are equivalent to a 25-year exposure in Golden Colorado for the mechanism of module ribbon fatigue.

  3. GPU-accelerated Red Blood Cells Simulations with Transport Dissipative Particle Dynamics

    CERN Document Server

    Blumers, Ansel L; Li, Zhen; Li, Xuejin; Karniadakis, George E

    2016-01-01

    Mesoscopic numerical simulations provide a unique approach for the quantification of the chemical influences on red blood cell functionalities. The transport Dissipative Particles Dynamics (tDPD) method can lead to such effective multiscale simulations due to its ability to simultaneously capture mesoscopic advection, diffusion, and reaction. In this paper, we present a GPU-accelerated red blood cell simulation package based on a tDPD adaptation of our red blood cell model, which can correctly recover the cell membrane viscosity, elasticity, bending stiffness, and cross-membrane chemical transport. The package essentially processes all computational workloads in parallel by GPU, and it incorporates multi-stream scheduling and non-blocking MPI communications to improve inter-node scalability. Our code is validated for accuracy and compared against the CPU counterpart for speed. Strong scaling and weak scaling are also presented to characterizes scalability. We observe a speedup of 10.1 on one GPU over all 16 c...

  4. Evaluation of Dynamic Mechanical Loading as an Accelerated Test Method for Ribbon Fatigue: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Bosco, N.; Silverman, T. J.; Wohlgemuth, J.; Kurtz, S.; Inoue, M.; Sakurai, K.; Shinoda, T.; Zenkoh, H.; Hirota, K.; Miyashita, M.; Tadanori, T.; Suzuki, S.

    2015-04-07

    Dynamic Mechanical Loading (DML) of photovoltaic modules is explored as a route to quickly fatigue copper interconnect ribbons. Results indicate that most of the interconnect ribbons may be strained through module mechanical loading to a level that will result in failure in a few hundred to thousands of cycles. Considering the speed at which DML may be applied, this translates into a few hours o testing. To evaluate the equivalence of DML to thermal cycling, parallel tests were conducted with thermal cycling. Preliminary analysis suggests that one +/-1 kPa DML cycle is roughly equivalent to one standard accelerated thermal cycle and approximately 175 of these cycles are equivalent to a 25-year exposure in Golden Colorado for the mechanism of module ribbon fatigue.

  5. Numerical integration of dynamical systems with Lie series: Relativistic acceleration and non-gravitational forces

    CERN Document Server

    Bancelin, D; Thuillot, W

    2016-01-01

    The integration of the equations of motion in gravitational dynamical systems -- either in our Solar System or for extra-solar planetary system -- being non integrable in the global case, is usually performed by means of numerical integration. Among the different numerical techniques available for solving ordinary differential equations, the numerical integration using Lie series has shown some advantages. In its original form (Hanslmeier 1984), it was limited to the N-body problem where only gravitational interactions are taken into account. We present in this paper a generalisation of the method by deriving an expression of the Lie-terms when other major forces are considered. As a matter of fact, previous studies had been made but only for objects moving under gravitational attraction. If other perturbations are added, the Lie integrator has to be re-built. In the present work we consider two cases involving position and position-velocity dependent perturbations: relativistic acceleration in the framework ...

  6. Investigation of glassy state molecular motions in thermoset polymers

    Science.gov (United States)

    Tu, Jianwei

    This dissertation presents the investigation of the glassy state molecular motions in isomeric thermoset epoxies by means of solid-state deuterium (2H) NMR spectroscopy technique. The network structure of crosslinked epoxies was altered through monomer isomerism; specifically, diglycidyl ether of bisphenol A (DGEBA) was cured with isomeric amine curatives, i.e., the meta-substituted diaminodiphenylsulfone (33DDS) and para-substituted diaminodiphenylsulfone (44DDS). The use of structural isomerism provided a path way for altering macroscopic material properties while maintaining identical chemical composition within the crosslinked networks. The effects of structural isomerism on the glassy state molecular motions were studied using solid-state 2H NMR spectroscopy, which offers unrivaled power to monitor site-specific molecular motions. Three distinctive molecular groups on each isomeric network, i.e., the phenylene rings in the bisphenol A structure (BPA), the phenylene rings in the diaminodiphenylsulfone structure (DDS), and the hydroxypropoyl ether group (HPE) have been selectively deuterated for a comprehensive study of the structure-dynamics- property relationships in thermoset epoxies. Quadrupolar echo experiments and line shape simulations were employed as the main research approach to gain both qualitative and quantitative motional information of the epoxy networks in the glassy state. Quantitative information on the geometry and rate of the molecular motions allows the elucidation of the relationship between molecular motions and macro physical properties and the role of these motions in the mechanical relaxation. Specifically, it is revealed that both the BPA and HPE moieties in the isomeric networks have almost identical behaviors in the deep glassy state, which indicates that the molecular motions in the glassy state are localized, and the correlation length of the motions does not exceed the length of the DGEBA repeat unit. BPA ring motions contribute

  7. Studies of beam dynamics in relativistic klystron two-beam accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Lidia, Steven M.

    1999-11-01

    Two-beam accelerators (TBAs) based upon free-electron lasers (FELs) or relativistic klystrons (RK-TBAs) have been proposed as efficient power sources for next generation high-energy linear colliders. Studies have demonstrated the possibility of building TBAs from X-band (~8-12 GHz) through Ka band (~ 30-35 GHz) frequency regions. Provided that further prototyping shows stable beam propagation with minimal current loss and production of good quality, high-power rf fields, this technology is compatible with current schemes for electron-positron colliders in the multi-TeV center-of-mass scale. A new method of simulating the beam dynamics in accelerators of this type has been developed in this dissertation. There are three main components to this simulation. The first is a tracking algorithm to generate nonlinear transfer maps for pushing noninteracting particles through the external fields. The second component is a 3D Particle-In-Cell (PIC) algorithm that solves a set of Helmholtz equations for the self-fields, including the conducting boundary condition, and generates impulses that are interleaved with the nonlinear maps by means of a split-operation algorithm. The Helmholtz equations are solved by a multi-grid algorithm. The third component is an equivalent circuit equation solver that advances the modal rf cavity fields in time due to excitation by the modulated beam. The RTA project is described, and the simulation code is used to design the latter portions of the experiment. Detailed calculations of the beam dynamics and of the rf cavity output are presented and discussed. A beamline design is presented that will generate nearly 1.2 GW of power from 40 input, gain, and output rv cavities over a 10 m distance. The simulations show that beam current losses are acceptable, and that longitudinal and transverse focusing techniques are sufficient capable of maintaining a high degree of beam quality along the entire beamline. Additional experimental efforts are also

  8. Evaluation of enhanced sampling provided by accelerated molecular dynamics with Hamiltonian replica exchange methods.

    Science.gov (United States)

    Roe, Daniel R; Bergonzo, Christina; Cheatham, Thomas E

    2014-04-03

    Many problems studied via molecular dynamics require accurate estimates of various thermodynamic properties, such as the free energies of different states of a system, which in turn requires well-converged sampling of the ensemble of possible structures. Enhanced sampling techniques are often applied to provide faster convergence than is possible with traditional molecular dynamics simulations. Hamiltonian replica exchange molecular dynamics (H-REMD) is a particularly attractive method, as it allows the incorporation of a variety of enhanced sampling techniques through modifications to the various Hamiltonians. In this work, we study the enhanced sampling of the RNA tetranucleotide r(GACC) provided by H-REMD combined with accelerated molecular dynamics (aMD), where a boosting potential is applied to torsions, and compare this to the enhanced sampling provided by H-REMD in which torsion potential barrier heights are scaled down to lower force constants. We show that H-REMD and multidimensional REMD (M-REMD) combined with aMD does indeed enhance sampling for r(GACC), and that the addition of the temperature dimension in the M-REMD simulations is necessary to efficiently sample rare conformations. Interestingly, we find that the rate of convergence can be improved in a single H-REMD dimension by simply increasing the number of replicas from 8 to 24 without increasing the maximum level of bias. The results also indicate that factors beyond replica spacing, such as round trip times and time spent at each replica, must be considered in order to achieve optimal sampling efficiency.

  9. TEXES Observations of M Supergiants: Dynamics and Thermodynamics of Wind Acceleration

    CERN Document Server

    Harper, G M; Ryde, N; Brown, A; Brown, J; Greathouse, T K; Strong, S

    2009-01-01

    We have detected [Fe II] 17.94 um and 24.52 um emission from a sample of M supergiants using TEXES on the IRTF. These low opacity emission lines are resolved at R = 50, 000 and provide new diagnostics of the dynamics and thermodynamics of the stellar wind acceleration zone. The [Fe II] lines, from the first excited term, are sensitive to the warm plasma where energy is deposited into the extended atmosphere to form the chromosphere and wind outflow. These diagnostics complement previous KAO and ISO observations which were sensitive to the cooler and more extended circumstellar envelopes. The turbulent velocities, Vturb is about 12 to 13 km/s, observed in the [Fe II] forbidden lines are found to be a common property of our sample, and are less than that derived from the hotter chromospheric C II] 2325 Angstrom lines observed in alpha Ori, where Vturb is about 17 to 19 km/s. For the first time, we have dynamically resolved the motions of the dominant cool atmospheric component discovered in alpha Ori from multi...

  10. Understanding rheological hysteresis in soft glassy materials.

    Science.gov (United States)

    Radhakrishnan, Rangarajan; Divoux, Thibaut; Manneville, Sébastien; Fielding, Suzanne M

    2017-03-01

    Motivated by recent experimental studies of rheological hysteresis in soft glassy materials, we study numerically strain rate sweeps in simple yield stress fluids and viscosity bifurcating yield stress fluids. Our simulations of downward followed by upward strain rate sweeps, performed within fluidity models and the soft glassy rheology model, successfully capture the experimentally observed monotonic decrease of the area of the rheological hysteresis loop with sweep time in simple yield stress fluids, and the bell shaped dependence of hysteresis loop area on sweep time in viscosity bifurcating fluids. We provide arguments explaining these two different functional forms in terms of differing tendencies of simple and viscosity bifurcating fluids to form shear bands during the sweeps, and show that the banding behaviour captured by our simulations indeed agrees with that reported experimentally. We also discuss the difference in hysteresis behaviour between inelastic and viscoelastic fluids. Our simulations qualitatively agree with the experimental data discussed here for four different soft glassy materials.

  11. Dynamic imaging and hydrodynamics study of high velocity, laser-accelerated thin foil targets using multiframe optical shadowgraphy

    Indian Academy of Sciences (India)

    S Tripathi; S Chaurasia; P Leshma; L J Dhareshwar

    2012-12-01

    The main aim of the study of thin target foil–laser interaction experiments is to understand the physics of hydrodynamics of the foil acceleration, which is highly relevant to inertial confinement fusion (ICF). This paper discusses a simple, inexpensive multiframe optical shadow-graphy diagnostics developed for dynamic imaging of high velocity laser-accelerated target foils of different thicknesses. The diagnostic has a spatial and temporal resolution of 12 m and 500 ps respectively in the measurements. The target velocity is in the range of 106 - 107 cm/s. Hydrodynamic efficiency of such targets was measured by energy balance experiments together with the measurement of kinetic energy of the laser-driven targets. Effect of target foil thickness on the hydrodynamics of aluminum foils was studied for determining the optimum conditions for obtaining a directed kinetic energy transfer of the accelerated foil. The diagnostics has also been successfully used to study ablatively accelerated targets of other novel materials.

  12. A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors.

    Science.gov (United States)

    Glowacki, David R; O'Connor, Michael; Calabró, Gaetano; Price, James; Tew, Philip; Mitchell, Thomas; Hyde, Joseph; Tew, David P; Coughtrie, David J; McIntosh-Smith, Simon

    2014-01-01

    With advances in computational power, the rapidly growing role of computational/simulation methodologies in the physical sciences, and the development of new human-computer interaction technologies, the field of interactive molecular dynamics seems destined to expand. In this paper, we describe and benchmark the software algorithms and hardware setup for carrying out interactive molecular dynamics utilizing an array of consumer depth sensors. The system works by interpreting the human form as an energy landscape, and superimposing this landscape on a molecular dynamics simulation to chaperone the motion of the simulated atoms, affecting both graphics and sonified simulation data. GPU acceleration has been key to achieving our target of 60 frames per second (FPS), giving an extremely fluid interactive experience. GPU acceleration has also allowed us to scale the system for use in immersive 360° spaces with an array of up to ten depth sensors, allowing several users to simultaneously chaperone the dynamics. The flexibility of our platform for carrying out molecular dynamics simulations has been considerably enhanced by wrappers that facilitate fast communication with a portable selection of GPU-accelerated molecular force evaluation routines. In this paper, we describe a 360° atmospheric molecular dynamics simulation we have run in a chemistry/physics education context. We also describe initial tests in which users have been able to chaperone the dynamics of 10-alanine peptide embedded in an explicit water solvent. Using this system, both expert and novice users have been able to accelerate peptide rare event dynamics by 3-4 orders of magnitude.

  13. Mechanical fluctuations suppress the threshold of soft-glassy solids: The secular drift scenario

    Science.gov (United States)

    Pons, Adeline; Amon, Axelle; Darnige, Thierry; Crassous, Jérôme; Clément, Eric

    2015-08-01

    We propose a dynamical mechanism leading to the fluidization by external mechanical fluctuations of soft-glassy amorphous material driven below the yield stress. The model is based on the combination of memory effect and nonlinearity, leading to an accumulation of tiny effects over a long term. We test this scenario on a granular packing driven mechanically below the Coulomb threshold. We provide evidence for an effective viscous response directly related to small stress modulations in agreement with the theoretical prediction of a generic secular drift. We propose to extend this result more generally to a large class of glassy systems.

  14. Elastic properties of aspirin in its crystalline and glassy phases studied by micro-Brillouin scattering

    Science.gov (United States)

    Ko, Jae-Hyeon; Lee, Kwang-Sei; Ike, Yuji; Kojima, Seiji

    2008-11-01

    The acoustic waves propagating along the direction perpendicular to the (1 0 0) cleavage plane of aspirin crystal were investigated using micro-Brillouin spectroscopy from which C11, C55 and C66 were obtained. The temperature dependence of the longitudinal acoustic waves could be explained by normal anharmonic lattice models, while the transverse acoustic waves showed an abnormal increase in the hypersonic attenuation at low temperatures indicating their coupling to local remnant dynamics. The sound velocity as well as the attenuation of the longitudinal acoustic waves of glassy aspirin showed a substantial change at ˜235 K confirming a transition from glassy to supercooled liquid state in vitreous aspirin.

  15. Accelerated molecular dynamics and protein conformational change: a theoretical and practical guide using a membrane embedded model neurotransmitter transporter.

    Science.gov (United States)

    Gedeon, Patrick C; Thomas, James R; Madura, Jeffry D

    2015-01-01

    Molecular dynamics simulation provides a powerful and accurate method to model protein conformational change, yet timescale limitations often prevent direct assessment of the kinetic properties of interest. A large number of molecular dynamic steps are necessary for rare events to occur, which allow a system to overcome energy barriers and conformationally transition from one potential energy minimum to another. For many proteins, the energy landscape is further complicated by a multitude of potential energy wells, each separated by high free-energy barriers and each potentially representative of a functionally important protein conformation. To overcome these obstacles, accelerated molecular dynamics utilizes a robust bias potential function to simulate the transition between different potential energy minima. This straightforward approach more efficiently samples conformational space in comparison to classical molecular dynamics simulation, does not require advanced knowledge of the potential energy landscape and converges to the proper canonical distribution. Here, we review the theory behind accelerated molecular dynamics and discuss the approach in the context of modeling protein conformational change. As a practical example, we provide a detailed, step-by-step explanation of how to perform an accelerated molecular dynamics simulation using a model neurotransmitter transporter embedded in a lipid cell membrane. Changes in protein conformation of relevance to the substrate transport cycle are then examined using principle component analysis.

  16. Synthesis and Characterization of Glassy Carbon Nanowires

    Directory of Open Access Journals (Sweden)

    C. M. Lentz

    2011-01-01

    Full Text Available The advent of carbon-based micro- and nanoelectromechanical systems has revived the interest in glassy carbon, whose properties are relatively unknown at lower dimensions. In this paper, electrical conductivity of individual glassy carbon nanowires was measured as a function of microstructure (controlled by heat treatment temperature and ambient temperature. The semiconducting nanowires with average diameter of 150 nm were synthesized from polyfurfuryl alcohol precursors and characterized using transmission electron and Raman microscopy. DC electrical measurements made at 90 K to 450 K show very strong dependence of temperature, following mixed modes of activation energy and hopping-based conduction.

  17. Some Recent Developments in Structure and Glassy Behavior of Proteins

    Science.gov (United States)

    Hu, Chin-Kun

    2012-02-01

    We have used ARVO developed by us to find that the ratio of volume and surface area of proteins in Protein Data Bank distributed in a very narrow region [1]. Such result is useful for the determination of protein 3D structures. It has been widely known that a spin glass model can be used to understand the slow relaxation behavior of a glass at low temperatures [2]. We have used molecular dynamics and simple models of polymer chains to study relaxation and aggregation of proteins under various conditions and found that polymer chains with neighboring monomers connected by rigid bonds can relax very slowly and show glassy behavior [3]. We have also found that native collagen fibrils show glassy behavior at room temperatures [4]. The results of [3] and [4] about the glassy behavior of polymers or proteins are useful for understanding the mechanism for a biological system to maintain in a non-equilibrium state, including the ancient seed [5], which can maintain in a non-equilibrium state for a very long time. (1) M.-C. Wu, M. S. Li, W.-J. Ma, M. Kouza, and C.-K. Hu, EPL, in press (2011); (2) C. Dasgupta, S.-K. Ma, and C.-K. Hu. Phys. Rev. B 20, 3837-3849 (1979); (3) W.-J. Ma and C.-K. Hu, J. Phys. Soc. Japan 79, 024005, 024006, 054001, and 104002 (2010), C.-K. Hu and W.-J. Ma, Prog. Theor. Phys. Supp. 184, 369 (2010); S. G. Gevorkian, A. E. Allahverdyan, D. S. Gevorgyan and C.-K. Hu, EPL 95, 23001 (2011); S. Sallon, et al. Science 320, 1464 (2008).

  18. Extended temperature-accelerated dynamics: enabling long-time full-scale modeling of large rare-event systems.

    Science.gov (United States)

    Bochenkov, Vladimir; Suetin, Nikolay; Shankar, Sadasivan

    2014-09-07

    A new method, the Extended Temperature-Accelerated Dynamics (XTAD), is introduced for modeling long-timescale evolution of large rare-event systems. The method is based on the Temperature-Accelerated Dynamics approach [M. Sørensen and A. Voter, J. Chem. Phys. 112, 9599 (2000)], but uses full-scale parallel molecular dynamics simulations to probe a potential energy surface of an entire system, combined with the adaptive on-the-fly system decomposition for analyzing the energetics of rare events. The method removes limitations on a feasible system size and enables to handle simultaneous diffusion events, including both large-scale concerted and local transitions. Due to the intrinsically parallel algorithm, XTAD not only allows studies of various diffusion mechanisms in solid state physics, but also opens the avenue for atomistic simulations of a range of technologically relevant processes in material science, such as thin film growth on nano- and microstructured surfaces.

  19. On the cytoskeleton and soft glassy rheology.

    Science.gov (United States)

    Mandadapu, Kranthi K; Govindjee, Sanjay; Mofrad, Mohammad R K

    2008-01-01

    The cytoskeleton is a complex structure within the cellular corpus that is responsible for the main structural properties and motilities of cells. A wide range of models have been utilized to understand cytoskeletal rheology and mechanics (see e.g. [Mofrad, M., Kamm, R., 2006. Cytoskeletal Mechanics: Models and Measurements. Cambridge University Press, Cambridge]). From this large collection of proposed models, the soft glassy rheological model (originally developed for inert soft glassy materials) has gained a certain traction in the literature due to the close resemblance of its predictions to certain mechanical data measured on cell cultures [Fabry, B., Maksym, G., Butler, J., Glogauer, M., Navajas, D., Fredberg, J., 2001. Scaling the microrheology of living cells. Physical Review Letters 87, 14102]. We first review classical linear rheological theory in a concise fashion followed by an examination of the soft glassy rheological theory. With this background we discuss the observed behavior of the cytoskeleton and the inherent limitations of classical rheological models for the cytoskeleton. This then leads into a discussion of the advantages and disadvantages presented to us by the soft glassy rheological model. We close with some comments of caution and recommendations on future avenues of exploration.

  20. Yeast dynamic metabolic flux measurement in nutrient-rich media by HPLC and accelerator mass spectrometry.

    Science.gov (United States)

    Stewart, Benjamin J; Navid, Ali; Turteltaub, Kenneth W; Bench, Graham

    2010-12-01

    Metabolic flux, the flow of metabolites through networks of enzymes, represents the dynamic productive output of cells. Improved understanding of intracellular metabolic fluxes will enable targeted manipulation of metabolic pathways of medical and industrial importance to a greater degree than is currently possible. Flux balance analysis (FBA) is a constraint-based approach to modeling metabolic fluxes, but its utility is limited by a lack of experimental measurements. Incorporation of experimentally measured fluxes as system constraints will significantly improve the overall accuracy of FBA. We applied a novel, two-tiered approach in the yeast Saccharomyces cerevisiae to measure nutrient consumption rates (extracellular fluxes) and a targeted intracellular flux using a (14)C-labeled precursor with HPLC separation and flux quantitation by accelerator mass spectrometry (AMS). The use of AMS to trace the intracellular fate of (14)C-glutamine allowed the calculation of intracellular metabolic flux through this pathway, with glutathione as the metabolic end point. Measured flux values provided global constraints for the yeast FBA model which reduced model uncertainty by more than 20%, proving the importance of additional constraints in improving the accuracy of model predictions and demonstrating the use of AMS to measure intracellular metabolic fluxes. Our results highlight the need to use intracellular fluxes to constrain the models. We show that inclusion of just one such measurement alone can reduce the average variability of model predicted fluxes by 10%.

  1. Transverse beam dynamics in non-linear Fixed Field Alternating Gradient accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Haj, Tahar M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Meot, F. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2016-03-02

    In this paper, we present some aspects of the transverse beam dynamics in Fixed Field Ring Accelerators (FFRA): we start from the basic principles in order to derive the linearized transverse particle equations of motion for FFRA, essentially FFAGs and cyclotrons are considered here. This is a simple extension of a previous work valid for linear lattices that we generalized by including the bending terms to ensure its correctness for FFAG lattice. The space charge term (contribution of the internal coulombian forces of the beam) is contained as well, although it is not discussed here. The emphasis is on the scaling FFAG type: a collaboration work is undertaken in view of better understanding the properties of the 150 MeV scaling FFAG at KURRI in Japan, and progress towards high intensity operation. Some results of the benchmarking work between different codes are presented. Analysis of certain type of field imperfections revealed some interesting features about this machine that explain some of the experimental results and generalize the concept of a scaling FFAG to a non-scaling one for which the tune variations obey a well-defined law.

  2. Accelerating ab initio path integral molecular dynamics with multilevel sampling of potential surface

    Energy Technology Data Exchange (ETDEWEB)

    Geng, Hua Y., E-mail: huay.geng@gmail.com [National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, CAEP, P.O. Box 919-102, Mianyang, Sichuan, 621900 (China); Department of Chemistry and Chemical Biology, Cornell University, Baker Laboratory, Ithaca, NY 14853 (United States)

    2015-02-15

    A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics (AI-PIMD) simulation, without compromising the overall accuracy. To validate the method, the internal energy and free energy of an Einstein crystal are calculated and compared with the analytical solutions. As a preliminary application, we assess the performance of the method in a realistic model—the FCC phase of dense atomic hydrogen, in which the calculated result shows that the acceleration rate is about 3 to 4-fold for a two-level implementation, and can be increased up to 10 times if extrapolation is used. With only 16 beads used for the ab initio potential sampling, this method gives a well converged internal energy. The residual error in pressure is just about 3 GPa, whereas it is about 20 GPa for a plain AI-PIMD calculation with the same number of beads. The vibrational free energy of the FCC phase of dense hydrogen at 300 K is also calculated with an AI-PIMD thermodynamic integration method, which gives a result of about 0.51 eV/proton at a density of r{sub s}=0.912.

  3. Accelerating ab initio path integral molecular dynamics with multilevel sampling of potential surface

    Science.gov (United States)

    Geng, Hua Y.

    2015-02-01

    A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics (AI-PIMD) simulation, without compromising the overall accuracy. To validate the method, the internal energy and free energy of an Einstein crystal are calculated and compared with the analytical solutions. As a preliminary application, we assess the performance of the method in a realistic model-the FCC phase of dense atomic hydrogen, in which the calculated result shows that the acceleration rate is about 3 to 4-fold for a two-level implementation, and can be increased up to 10 times if extrapolation is used. With only 16 beads used for the ab initio potential sampling, this method gives a well converged internal energy. The residual error in pressure is just about 3 GPa, whereas it is about 20 GPa for a plain AI-PIMD calculation with the same number of beads. The vibrational free energy of the FCC phase of dense hydrogen at 300 K is also calculated with an AI-PIMD thermodynamic integration method, which gives a result of about 0.51 eV/proton at a density of rs = 0.912.

  4. Accelerating ab initio path integral molecular dynamics with multilevel sampling of potential surface

    CERN Document Server

    Geng, Hua Y

    2014-01-01

    A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics (AI-PIMD) simulation, without compromising the overall accuracy. To validate the method, the internal energy and free energy of an Einstein crystal are calculated and compared with the analytical solutions. As a preliminary application, we assess the performance of the method in a realistic model, the FCC phase of dense atomic hydrogen, in which the calculated result shows that the acceleration rate is about 3 to 4 fold for a two-level implementation, and can be increased to 10 times if extrapolation is used. With only 16 beads used for the ab initio potential sampling, this method gives a well converged internal energy. The residual error in pressure is just about 3 GPa, whereas it is about 20 GPa for a plain AI-PIMD calculation with the same number of beads. The vibration...

  5. Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics.

    Science.gov (United States)

    Wang, Kai; Chodera, John D; Yang, Yanzhi; Shirts, Michael R

    2013-12-01

    We present a method to identify small molecule ligand binding sites and poses within a given protein crystal structure using GPU-accelerated Hamiltonian replica exchange molecular dynamics simulations. The Hamiltonians used vary from the physical end state of protein interacting with the ligand to an unphysical end state where the ligand does not interact with the protein. As replicas explore the space of Hamiltonians interpolating between these states, the ligand can rapidly escape local minima and explore potential binding sites. Geometric restraints keep the ligands from leaving the vicinity of the protein and an alchemical pathway designed to increase phase space overlap between intermediates ensures good mixing. Because of the rigorous statistical mechanical nature of the Hamiltonian exchange framework, we can also extract binding free energy estimates for all putative binding sites. We present results of this methodology applied to the T4 lysozyme L99A model system for three known ligands and one non-binder as a control, using an implicit solvent. We find that our methodology identifies known crystallographic binding sites consistently and accurately for the small number of ligands considered here and gives free energies consistent with experiment. We are also able to analyze the contribution of individual binding sites to the overall binding affinity. Our methodology points to near term potential applications in early-stage structure-guided drug discovery.

  6. Radiation characteristics and implosion dynamics of tungsten wire array Z-pinches on the YANG accelerator

    Institute of Scientific and Technical Information of China (English)

    Huang Xian-Bin; Chen Guang-Hua; Zhang Zheng-Wei; Ouyang Kai; Li Jun; Zhang Zhao-Hui; Zhou Rong-Guo; Wang Gui-Lin; Yang Li-Bing; Li Jing; Zhou Shao-Tong; Ren Xiao-Dong; Zhang Si-Qun; Dan Jia-Kun; Cai Hong-Chun; Duan Shu-Chao

    2012-01-01

    We investigated the radiation characteristics and implosion dynamics of low-wire-number cylindrical tungsten wire array Z-pinches on the YANG accelerator with a peak current 0.8-1.1 M A and a rising time~90 ns.The arrays are made up of(8-32)x5 μm wires 6/10 mm in diameter and 15 mm in height.The highest X-ray power obtained in the experiments was about 0.37 TW with the total radiation energy~13 kJ and the energy conversion efficiency~9%(24x5 μm wires,6 mm in diameter).Most of the X-ray emissions from tungsten Z-pinch plasmas were distributed in the spectral band of 100-600 eV,peaked at 250 and 375 eV.The dominant wavelengths of the wire ablation and the magneto-Rayleigh-Taylor instability were found and analyzed through measuring the time-gated self-emission and laser interferometric images.Through analyzing the implosion trajectories obtained by an optical streak camera,the run-in velocities of the Z-pinch plasmas at the end of the implosion phase were determined to be about(1.3-2.1)x 107 cm/s.

  7. Investigations of Beam Dynamics Issues at Current and Future Hadron Accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Ellison, James [Univ. of New Mexico, Albuquerque, NM (United States); Lau, Stephen [Univ. of New Mexico, Albuquerque, NM (United States); Heinemann, Klaus [Univ. of New Mexico, Albuquerque, NM (United States); Bizzozero, David [Univ. of New Mexico, Albuquerque, NM (United States)

    2015-03-12

    Final Report Abstract for DE-FG02-99ER4110, May 15, 2011- October 15, 2014 There is a synergy between the fields of Beam Dynamics (BD) in modern particle accelerators and Applied Mathematics (AMa). We have formulated significant problems in BD and have developed and applied tools within the contexts of dynamical systems, topological methods, numerical analysis and scientific computing, probability and stochastic processes, and mathematical statistics. We summarize the three main areas of our AMa work since 2011. First, we continued our study of Vlasov-Maxwell systems. Previously, we developed a state of the art algorithm and code (VM3@A) to calculate coherent synchrotron radiation in single pass systems. In this cycle we carefully analyzed the major expense, namely the integral-over-history (IOH), and developed two approaches to speed up integration. The first strategy uses a representation of the Bessel function J0 in terms of exponentials. The second relies on “local sequences” developed recently for radiation boundary conditions, which are used to reduce computational domains. Although motivated by practicality, both strategies involve interesting and rather deep analysis and approximation theory. As an alternative to VM3@A, we are integrating Maxwell’s equations by a time-stepping method, bypass- ing the IOH, using a Discontinuous Galerkin (DG) method. DG is a generalization of Finite Element and Finite Volume methods. It is spectrally convergent, unlike the commonly used Finite Difference methods, and can handle complicated vacuum chamber geometries. We have applied this in several contexts and have obtained very nice results including an explanation of an experiment at the Canadian Light Source, where the geometry is quite complex. Second, we continued our study of spin dynamics in storage rings. There is much current and proposed activity where spin polarized beams are being used in testing the Standard Model and its modifications. Our work has focused

  8. Deterministic and stochastic dynamics of Rayleigh-Taylor mixing with a power-law time-dependent acceleration

    Science.gov (United States)

    Pandian, Arun; Swisher, Nora C.; Abarzhi, S. I.

    2017-01-01

    Rayleigh-Taylor (RT) mixing occurs in a variety of natural and man-made phenomena in fluids, plasmas and materials, from celestial event to atoms. In many circumstances, RT flows are driven by variable acceleration, whereas majority of existing studies have considered only sustained acceleration. In this work we perform detailed analytical and numerical study of RT mixing with a power-law time-dependent acceleration. A set of deterministic nonlinear non-homogeneous ordinary differential equations and nonlinear stochastic differential equations with multiplicative noise are derived on the basis of momentum model. For a broad range of parameters, self-similar asymptotic solutions are found analytically, and their statistical properties are studied numerically. We identify two sub-regimes of RT mixing dynamics depending on the acceleration exponent—the acceleration-driven mixing and dissipation-driven mixing. Transition between the sub-regimes is studied, and it is found that each sub-regime has its own characteristic dimensionless invariant quantity.

  9. Multi-scale calculation of settling speed of coarse particles by accelerated Stokesian dynamics without adjustable parameter

    Institute of Scientific and Technical Information of China (English)

    Long Wang; Jiachun Li; Jifu Zhou

    2009-01-01

    The calculation of settling speed of coarse parti-cles is firstly addressed, with accelerated Stokesian dynamics without adjustable parameters, in which far field force act-ing on the particle instead of particle velocity is chosen as dependent variables to consider inter-particle hydrodynamic interactions. The sedimentation of a simple cubic array of spherical particles is simulated and compared to the results available to verify and validate the numerical code and computational scheme. The improved method keeps the same computational cost of the order O(Nlog N) as usual accelerated Stokesian dynamics does. Then, more realistic random suspension sedimentation is investigated with the help of Mont Carlo method. The computational results agree well with experimental fitting. Finally, the sedimentation of finer cohesive particle, which is often observed in estuary environment, is presented as a further application in coastal engineering.

  10. Acceleration of the chemistry solver for modeling DI engine combustion using dynamic adaptive chemistry (DAC) schemes

    Science.gov (United States)

    Shi, Yu; Liang, Long; Ge, Hai-Wen; Reitz, Rolf D.

    2010-03-01

    Acceleration of the chemistry solver for engine combustion is of much interest due to the fact that in practical engine simulations extensive computational time is spent solving the fuel oxidation and emission formation chemistry. A dynamic adaptive chemistry (DAC) scheme based on a directed relation graph error propagation (DRGEP) method has been applied to study homogeneous charge compression ignition (HCCI) engine combustion with detailed chemistry (over 500 species) previously using an R-value-based breadth-first search (RBFS) algorithm, which significantly reduced computational times (by as much as 30-fold). The present paper extends the use of this on-the-fly kinetic mechanism reduction scheme to model combustion in direct-injection (DI) engines. It was found that the DAC scheme becomes less efficient when applied to DI engine simulations using a kinetic mechanism of relatively small size and the accuracy of the original DAC scheme decreases for conventional non-premixed combustion engine. The present study also focuses on determination of search-initiating species, involvement of the NOx chemistry, selection of a proper error tolerance, as well as treatment of the interaction of chemical heat release and the fuel spray. Both the DAC schemes were integrated into the ERC KIVA-3v2 code, and simulations were conducted to compare the two schemes. In general, the present DAC scheme has better efficiency and similar accuracy compared to the previous DAC scheme. The efficiency depends on the size of the chemical kinetics mechanism used and the engine operating conditions. For cases using a small n-heptane kinetic mechanism of 34 species, 30% of the computational time is saved, and 50% for a larger n-heptane kinetic mechanism of 61 species. The paper also demonstrates that by combining the present DAC scheme with an adaptive multi-grid chemistry (AMC) solver, it is feasible to simulate a direct-injection engine using a detailed n-heptane mechanism with 543 species

  11. Estimating kinetic rates from accelerated molecular dynamics simulations: Alanine dipeptide in explicit solvent as a case study

    Science.gov (United States)

    de Oliveira, César Augusto F.; Hamelberg, Donald; McCammon, J. Andrew

    2007-11-01

    Molecular dynamics (MD) simulation is the standard computational technique used to obtain information on the time evolution of the conformations of proteins and many other molecular systems. However, for most biological systems of interest, the time scale for slow conformational transitions is still inaccessible to standard MD simulations. Several sampling methods have been proposed to address this issue, including the accelerated molecular dynamics method. In this work, we study the extent of sampling of the phi/psi space of alanine dipeptide in explicit water using accelerated molecular dynamics and present a framework to recover the correct kinetic rate constant for the helix to beta-strand transition. We show that the accelerated MD can drastically enhance the sampling of the phi/psi conformational phase space when compared to normal MD. In addition, the free energy density plots of the phi/psi space show that all minima regions are accurately sampled and the canonical distribution is recovered. Moreover, the kinetic rate constant for the helix to beta-strand transition is accurately estimated from these simulations by relating the diffusion coefficient to the local energetic roughness of the energy landscape. Surprisingly, even for such a low barrier transition, it is difficult to obtain enough transitions to accurately estimate the rate constant when one uses normal MD.

  12. Dynamics of laser-driven proton acceleration exhibited by measured laser absorptivity and reflectivity

    Science.gov (United States)

    Bin, J. H.; Allinger, K.; Khrennikov, K.; Karsch, S.; Bolton, P. R.; Schreiber, J.

    2017-01-01

    Proton acceleration from nanometer thin foils with intense laser pulses is investigated experimentally. We analyzed the laser absorptivity by parallel monitoring of laser transmissivity and reflectivity with different laser intensities when moving the targets along the laser axis. A direct correlation between laser absorptivity and maximum proton energy is observed. Experimental results are interpreted in analytical estimation, exhibiting a coexistence of plasma expansion and light-sail form of radiation pressure acceleration (RPA-LS) mechanisms during the entire proton acceleration process based on the measured laser absorptivity and reflectivity. PMID:28272471

  13. Investigations of Beam Dynamics Issues at Current and Future Hadron Accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Ellison, James [Univ. of New Mexico, Albuquerque, NM (United States); Lau, Stephen [Univ. of New Mexico, Albuquerque, NM (United States); Heinemann, Klaus [Univ. of New Mexico, Albuquerque, NM (United States); Bizzozero, David [Univ. of New Mexico, Albuquerque, NM (United States)

    2015-03-12

    Final Report Abstract for DE-FG02-99ER4110, May 15, 2011- October 15, 2014 There is a synergy between the fields of Beam Dynamics (BD) in modern particle accelerators and Applied Mathematics (AMa). We have formulated significant problems in BD and have developed and applied tools within the contexts of dynamical systems, topological methods, numerical analysis and scientific computing, probability and stochastic processes, and mathematical statistics. We summarize the three main areas of our AMa work since 2011. First, we continued our study of Vlasov-Maxwell systems. Previously, we developed a state of the art algorithm and code (VM3@A) to calculate coherent synchrotron radiation in single pass systems. In this cycle we carefully analyzed the major expense, namely the integral-over-history (IOH), and developed two approaches to speed up integration. The first strategy uses a representation of the Bessel function J0 in terms of exponentials. The second relies on “local sequences” developed recently for radiation boundary conditions, which are used to reduce computational domains. Although motivated by practicality, both strategies involve interesting and rather deep analysis and approximation theory. As an alternative to VM3@A, we are integrating Maxwell’s equations by a time-stepping method, bypass- ing the IOH, using a Discontinuous Galerkin (DG) method. DG is a generalization of Finite Element and Finite Volume methods. It is spectrally convergent, unlike the commonly used Finite Difference methods, and can handle complicated vacuum chamber geometries. We have applied this in several contexts and have obtained very nice results including an explanation of an experiment at the Canadian Light Source, where the geometry is quite complex. Second, we continued our study of spin dynamics in storage rings. There is much current and proposed activity where spin polarized beams are being used in testing the Standard Model and its modifications. Our work has focused

  14. Wafer-level microstructuring of glassy carbon

    Science.gov (United States)

    Hans, Loïc. E.; Prater, Karin; Kilchoer, Cédric; Scharf, Toralf; Herzig, Hans Peter; Hermerschmidt, Andreas

    2014-03-01

    Glassy carbon is used nowadays for a variety of applications because of its mechanical strength, thermal stability and non-sticking adhesion properties. One application is glass molding that allows to realize high resolution diffractive optical elements on large areas and at affordable price appropriate for mass production. We study glassy carbon microstructuring for future precision compression molding of low and high glass-transition temperature. For applications in optics the uniformity, surface roughness, edge definition and lateral resolution are very important parameters for a stamp and the final product. We study different methods of microstructuring of glassy carbon by etching and milling. Reactive ion etching with different protection layers such as photoresists, aluminium and titanium hard masks have been performed and will be compare with Ion beam etching. We comment on the quality of the structure definition and give process details as well as drawbacks for the different methods. In our fabrications we were able to realize optically flat diffractive structures with slope angles of 80° at typical feature sizes of 5 micron and 700 nm depth qualified for high precision glass molding.

  15. Dynamics of 4-oxo-TEMPO-d16-15N nitroxide-propylene glycol system studied by ESR and ESE in liquid and glassy state in temperature range 10-295 K

    Science.gov (United States)

    Goslar, Janina; Hoffmann, Stanislaw K.; Lijewski, Stefan

    2016-08-01

    ESR spectra and electron spin relaxation of nitroxide radical in 4-oxo-TEMPO-d16-15N in propylene glycol were studied at X-band in the temperature range 10-295 K. The spin-lattice relaxation in the liquid viscous state determined from the resonance line shape is governed by three mechanisms occurring during isotropic molecular reorientations. In the glassy state below 200 K the spin-lattice relaxation, phase relaxation and electron spin echo envelope modulations (ESEEM) were studied by pulse spin echo technique using 2-pulse and 3-pulse induced signals. Electron spin-lattice relaxation is governed by a single non-phonon relaxation process produced by localized oscillators of energy 76 cm-1. Electron spin dephasing is dominated by a molecular motion producing a resonance-type peak in the temperature dependence of the dephasing rate around 120 K. The origin of the peak is discussed and a simple method for the peak shape analysis is proposed, which gives the activation energy of a thermally activated motion Ea = 7.8 kJ/mol and correlation time τ0 = 10-8 s. The spin echo amplitude is strongly modulated and FT spectrum contains a doublet of lines centered around the 2D nuclei Zeeman frequency. The splitting into the doublet is discussed as due to a weak hyperfine coupling of nitroxide unpaired electron with deuterium of reorienting CD3 groups.

  16. Dynamics of 4-oxo-TEMPO-d16-(15)N nitroxide-propylene glycol system studied by ESR and ESE in liquid and glassy state in temperature range 10-295K.

    Science.gov (United States)

    Goslar, Janina; Hoffmann, Stanislaw K; Lijewski, Stefan

    2016-08-01

    ESR spectra and electron spin relaxation of nitroxide radical in 4-oxo-TEMPO-d16-(15)N in propylene glycol were studied at X-band in the temperature range 10-295K. The spin-lattice relaxation in the liquid viscous state determined from the resonance line shape is governed by three mechanisms occurring during isotropic molecular reorientations. In the glassy state below 200K the spin-lattice relaxation, phase relaxation and electron spin echo envelope modulations (ESEEM) were studied by pulse spin echo technique using 2-pulse and 3-pulse induced signals. Electron spin-lattice relaxation is governed by a single non-phonon relaxation process produced by localized oscillators of energy 76cm(-1). Electron spin dephasing is dominated by a molecular motion producing a resonance-type peak in the temperature dependence of the dephasing rate around 120K. The origin of the peak is discussed and a simple method for the peak shape analysis is proposed, which gives the activation energy of a thermally activated motion Ea=7.8kJ/mol and correlation time τ0=10(-8)s. The spin echo amplitude is strongly modulated and FT spectrum contains a doublet of lines centered around the (2)D nuclei Zeeman frequency. The splitting into the doublet is discussed as due to a weak hyperfine coupling of nitroxide unpaired electron with deuterium of reorienting CD3 groups.

  17. Cell division and death inhibit glassy behaviour of confluent tissues

    CERN Document Server

    Matoz-Fernandez, D A; Sknepnek, Rastko; Barrat, J L; Henkes, S

    2016-01-01

    We investigate the effects of cell division and apopotosis on collective dynamics in two-dimensional epithelial tissues. Our model includes three key ingredients observed across many epithelia, namely cell-cell adhesion, cell death and a cell division process that depends on the surrounding environment. We show a rich non-equilibrium phase diagram depending on the ratio of cell death to cell division and on the adhesion strength. For large apopotosis rates, cells die out and the tissue disintegrates. As the death rate decreases, however, we show, consecutively, the existence of a gas-like phase, a gel-like phase, and a dense confluent (tissue) phase. Most striking is the observation that the tissue is self-melting through its own internal activity, ruling out the existence of any glassy phase.

  18. Bulk Glassy Alloys: Historical Development and Current Research

    Directory of Open Access Journals (Sweden)

    Akihisa Inoue

    2015-06-01

    Full Text Available This paper reviews the development of current research in bulk glassy alloys by focusing on the trigger point for the synthesis of the first bulk glassy alloys by the conventional mold casting method. This review covers the background, discovery, characteristics, and applications of bulk glassy alloys, as well as recent topics regarding them. Applications of bulk glassy alloys have been expanding, particularly for Fe-based bulk glassy alloys, due to their unique properties, high glass-forming ability, and low cost. In the near future, the engineering importance of bulk glassy alloys is expected to increase steadily, and continuous interest in these novel metallic materials for basic science research is anticipated.

  19. Ab initio nonadiabatic dynamics of multichromophore complexes: a scalable graphical-processing-unit-accelerated exciton framework.

    Science.gov (United States)

    Sisto, Aaron; Glowacki, David R; Martinez, Todd J

    2014-09-16

    ("fragmenting") a molecular system and then stitching it back together. In this Account, we address both of these problems, the first by using graphical processing units (GPUs) and electronic structure algorithms tuned for these architectures and the second by using an exciton model as a framework in which to stitch together the solutions of the smaller problems. The multitiered parallel framework outlined here is aimed at nonadiabatic dynamics simulations on large supramolecular multichromophoric complexes in full atomistic detail. In this framework, the lowest tier of parallelism involves GPU-accelerated electronic structure theory calculations, for which we summarize recent progress in parallelizing the computation and use of electron repulsion integrals (ERIs), which are the major computational bottleneck in both density functional theory (DFT) and time-dependent density functional theory (TDDFT). The topmost tier of parallelism relies on a distributed memory framework, in which we build an exciton model that couples chromophoric units. Combining these multiple levels of parallelism allows access to ground and excited state dynamics for large multichromophoric assemblies. The parallel excitonic framework is in good agreement with much more computationally demanding TDDFT calculations of the full assembly.

  20. Dynamic behavior of time-delayed acceleration feedback controller for active vibration control of flexible structures

    Science.gov (United States)

    An, Fang; Chen, Wei-dong; Shao, Min-qiang

    2014-09-01

    This paper addresses the design problem of the controller with time-delayed acceleration feedback. On the basis of the reduction method and output state-derivative feedback, a time-delayed acceleration feedback controller is proposed. Stability boundaries of the closed-loop system are determined by using Hurwitz stability criteria. Due to the introduction of time delay into the controller with acceleration feedback, the proposed controller has the feature of not only changing the mass property but also altering the damping property of the controlled system in the sense of equivalent structural modification. With this feature, the closed-loop system has a greater logarithmic decrement than the uncontrolled one, and in turn, the control behavior can be improved. In this connection, the time delay in the acceleration feedback control is a positive factor when satisfying some given conditions and it could be actively utilized. On the ground of the analysis, the developed controller is implemented on a cantilever beam for different controller gain-delay combinations, and the control performance is evaluated with the comparison to that of pure acceleration feedback controller. Simulation and experimental results verify the ability of the controller to attenuate the vibration resulting from the dominant mode.

  1. Electron Lenses for Experiments on Nonlinear Dynamics with Wide Stable Tune Spreads in the Fermilab Integrable Optics Test Accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Stancari, G. [Fermilab; Carlson, K. [Fermilab; McGee, M. W. [Fermilab; Nobrega, L. E. [Fermilab; Romanov, A. L. [Fermilab; Ruan, J. [Fermilab; Valishev, A. [Fermilab; Noll, D. [Frankfurt U.

    2015-06-01

    Recent developments in the study of integrable Hamiltonian systems have led to nonlinear accelerator lattice designs with two transverse invariants. These lattices may drastically improve the performance of high-power machines, providing wide tune spreads and Landau damping to protect the beam from instabilities, while preserving dynamic aperture. To test the feasibility of these concepts, the Integrable Optics Test Accelerator (IOTA) is being designed and built at Fermilab. One way to obtain a nonlinear integrable lattice is by using the fields generated by a magnetically confined electron beam (electron lens) overlapping with the circulating beam. The parameters of the required device are similar to the ones of existing electron lenses. We present theory, numerical simulations, and first design studies of electron lenses for nonlinear integrable optics.

  2. Convergence acceleration for vector sequences and applications to computational fluid dynamics

    Science.gov (United States)

    Sidi, Avram; Celestina, Mark L.

    1990-01-01

    Some recent developments in acceleration of convergence methods for vector sequences are reviewed. The methods considered are the minimal polynomial extrapolation, the reduced rank extrapolation, and the modified minimal polynomial extrapolation. The vector sequences to be accelerated are those that are obtained from the iterative solution of linear or nonlinear systems of equations. The convergence and stability properties of these methods as well as different ways of numerical implementation are discussed in detail. Based on the convergence and stability results, strategies that are useful in practical applications are suggested. Two applications to computational fluid mechanics involving the three dimensional Euler equations for ducted and external flows are considered. The numerical results demonstrate the usefulness of the methods in accelerating the convergence of the time marching techniques in the solution of steady state problems.

  3. Laser Wakefield Acceleration: Structural and Dynamic Studies. Final Technical Report ER40954

    Energy Technology Data Exchange (ETDEWEB)

    Downer, Michael

    2014-12-19

    Particle accelerators enable scientists to study the fundamental structure of the universe, but have become the largest and most expensive of scientific instruments. In this project, we advanced the science and technology of laser-plasma accelerators, which are thousands of times smaller and less expensive than their conventional counterparts. In a laser-plasma accelerator, a powerful laser pulse exerts light pressure on an ionized gas, or plasma, thereby driving an electron density wave, which resembles the wake behind a boat. Electrostatic fields within this plasma wake reach tens of billions of volts per meter, fields far stronger than ordinary non-plasma matter (such as the matter that a conventional accelerator is made of) can withstand. Under the right conditions, stray electrons from the surrounding plasma become trapped within these “wake-fields”, surf them, and acquire energy much faster than is possible in a conventional accelerator. Laser-plasma accelerators thus might herald a new generation of compact, low-cost accelerators for future particle physics, x-ray and medical research. In this project, we made two major advances in the science of laser-plasma accelerators. The first of these was to accelerate electrons beyond 1 gigaelectronvolt (1 GeV) for the first time. In experimental results reported in Nature Communications in 2013, about 1 billion electrons were captured from a tenuous plasma (about 1/100 of atmosphere density) and accelerated to 2 GeV within about one inch, while maintaining less than 5% energy spread, and spreading out less than ½ milliradian (i.e. ½ millimeter per meter of travel). Low energy spread and high beam collimation are important for applications of accelerators as coherent x-ray sources or particle colliders. This advance was made possible by exploiting unique properties of the Texas Petawatt Laser, a powerful laser at the University of Texas at Austin that produces pulses of 150 femtoseconds (1 femtosecond is 10

  4. Voltammetric Response of Epinephrine at Carbon Nanotube Modified Glassy Carbon Electrode and Activated Glassy Carbon Electrode

    Institute of Scientific and Technical Information of China (English)

    WANG Juan; TANG Ping; ZHAO Fa-qiong; ZENG Bai-zhao

    2005-01-01

    The electrochemical behavior of epinephrine at activated glassy carbon electrode and carbon nanotube-coated glassy carbon electrode was studied. Epinephrine could exhibit an anodic peak at about 0.2 V (vs. SCE) at bare glassy carbon electrode, but it was very small.However, when the electrode was activated at certain potential (i. e. 1.9V) or modified with carbon nanotube, the peak became more sensitive,resulting from the increase in electrode area in addition to the electrostatic attraction. Under the selected conditions, the anodic peak current was linear to epinephrine concentration in the range of 3.3 × 10-7-1.1 × 10-5mol/L at activated glassy carbon electrode and in the range of 1.0 × 10-6-5.0 × 10-5 mol/L at carbon nanotube-coated electrode. The correlation coefficients were 0. 998 and 0. 997, respectively. The determination limit was 1.0 × 10-7 mol/L. The two electrodes have been successfully applied for the determination of epinephrine in adrenaline hydrochloride injection with recovery of 95%-104%.

  5. Development of a GPU-accelerated MIKE 21 Solver for Water Wave Dynamics

    DEFF Research Database (Denmark)

    Aackermann, Peter Edward; Pedersen, Peter Juhler Dinesen; Engsig-Karup, Allan Peter;

    2013-01-01

    With encouragement by the company DHI are the aim of this B.Sc. thesis1 to investigate, whether if it is possible to accelerate the simulation speed of DHIs commercial product MIKE 21 HD, by formulating a parallel solution scheme and implementing it to be executed on a CUDA-enabled GPU (massive...

  6. Neuromuscular onset succession of high level gymnasts during dynamic leg acceleration phases on high bar.

    Science.gov (United States)

    von Laßberg, Christoph; Rapp, Walter; Mohler, Betty; Krug, Jürgen

    2013-10-01

    In several athletic disciplines there is evidence that for generating the most effective acceleration of a specific body part the transfer of momentum should run in a "whip-like" consecutive succession of body parts towards the segment which shall be accelerated most effectively (e.g. the arm in throwing disciplines). This study investigated the question how this relates to the succession of neuromuscular activation to induce such "whip like" leg acceleration in sports like gymnastics with changed conditions concerning the body position and momentary rotational axis of movements (e.g. performing giant swings on high bar). The study demonstrates that during different long hang elements, performed by 12 high level gymnasts, the succession of the neuromuscular activation runs primarily from the bar (punctum fixum) towards the legs (punctum mobile). This demonstrates that the frequently used teaching instruction, first to accelerate the legs for a successful realization of such movements, according to a high level kinematic output, is contradictory to the neuromuscular input patterns, being used in high level athletes, realizing these skills with high efficiency. Based on these findings new approaches could be developed for more direct and more adequate teaching methods regarding to an earlier optimization and facilitation of fundamental movement requirements.

  7. Insulin adsorption on crystalline SiO2: Comparison between polar and nonpolar surfaces using accelerated molecular-dynamics simulations

    Science.gov (United States)

    Nejad, Marjan A.; Mücksch, Christian; Urbassek, Herbert M.

    2017-02-01

    Adsorption of insulin on polar and nonpolar surfaces of crystalline SiO2 (cristobalite and α -quartz) is studied using molecular dynamics simulation. Acceleration techniques are used in order to sample adsorption phase space efficiently and to identify realistic adsorption conformations. We find major differences between the polar and nonpolar surfaces. Electrostatic interactions govern the adsorption on polar surfaces and can be described by the alignment of the protein dipole with the surface dipole; hence spreading of the protein on the surface is irrelevant. On nonpolar surfaces, on the other hand, van-der-Waals interaction dominates, inducing surface spreading of the protein.

  8. Beam dynamics study of a 30 MeV electron linear accelerator to drive a neutron source

    Science.gov (United States)

    Kumar, Sandeep; Yang, Haeryong; Kang, Heung-Sik

    2014-02-01

    An experimental neutron facility based on 32 MeV/18.47 kW electron linac has been studied by means of PARMELA simulation code. Beam dynamics study for a traveling wave constant gradient electron accelerator is carried out to reach the preferential operation parameters (E = 30 MeV, P = 18 kW, dE/E E-gun, pre-buncher, buncher, and 2 accelerating columns. A disk-loaded, on-axis-coupled, 2π/3-mode type accelerating rf cavity is considered for this linac. After numerous optimizations of linac parameters, 32 MeV beam energy is obtained at the end of the linac. As high electron energy is required to produce acceptable neutron flux. The final neutron flux is estimated to be 5 × 1011 n/cm2/s/mA. Future development will be the real design of a 30 MeV electron linac based on S band traveling wave.

  9. Beam dynamics study of a 30 MeV electron linear accelerator to drive a neutron source

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Sandeep; Yang, Haeryong; Kang, Heung-Sik, E-mail: hskang@postech.ac.kr [Pohang Accelerator Laboratory, San31, Hyoja-dong, Pohang, Gyeongbuk 790-784 (Korea, Republic of)

    2014-02-14

    An experimental neutron facility based on 32 MeV/18.47 kW electron linac has been studied by means of PARMELA simulation code. Beam dynamics study for a traveling wave constant gradient electron accelerator is carried out to reach the preferential operation parameters (E = 30 MeV, P = 18 kW, dE/E < 12.47% for 99% particles). The whole linac comprises mainly E-gun, pre-buncher, buncher, and 2 accelerating columns. A disk-loaded, on-axis-coupled, 2π/3-mode type accelerating rf cavity is considered for this linac. After numerous optimizations of linac parameters, 32 MeV beam energy is obtained at the end of the linac. As high electron energy is required to produce acceptable neutron flux. The final neutron flux is estimated to be 5 × 10{sup 11} n/cm{sup 2}/s/mA. Future development will be the real design of a 30 MeV electron linac based on S band traveling wave.

  10. Conceptual design of a 1013 -W pulsed-power accelerator for megajoule-class dynamic-material-physics experiments

    Science.gov (United States)

    Stygar, W. A.; Reisman, D. B.; Stoltzfus, B. S.; Austin, K. N.; Ao, T.; Benage, J. F.; Breden, E. W.; Cooper, R. A.; Cuneo, M. E.; Davis, J.-P.; Ennis, J. B.; Gard, P. D.; Greiser, G. W.; Gruner, F. R.; Haill, T. A.; Hutsel, B. T.; Jones, P. A.; LeChien, K. R.; Leckbee, J. J.; Lewis, S. A.; Lucero, D. J.; McKee, G. R.; Moore, J. K.; Mulville, T. D.; Muron, D. J.; Root, S.; Savage, M. E.; Sceiford, M. E.; Spielman, R. B.; Waisman, E. M.; Wisher, M. L.

    2016-07-01

    We have developed a conceptual design of a next-generation pulsed-power accelerator that is optimized for megajoule-class dynamic-material-physics experiments. Sufficient electrical energy is delivered by the accelerator to a physics load to achieve—within centimeter-scale samples—material pressures as high as 1 TPa. The accelerator design is based on an architecture that is founded on three concepts: single-stage electrical-pulse compression, impedance matching, and transit-time-isolated drive circuits. The prime power source of the accelerator consists of 600 independent impedance-matched Marx generators. Each Marx comprises eight 5.8-GW bricks connected electrically in series, and generates a 100-ns 46-GW electrical-power pulse. A 450-ns-long water-insulated coaxial-transmission-line impedance transformer transports the power generated by each Marx to a system of twelve 2.5-m-radius water-insulated conical transmission lines. The conical lines are connected electrically in parallel at a 66-cm radius by a water-insulated 45-post sextuple-post-hole convolute. The convolute sums the electrical currents at the outputs of the conical lines, and delivers the combined current to a single solid-dielectric-insulated radial transmission line. The radial line in turn transmits the combined current to the load. Since much of the accelerator is water insulated, we refer to it as Neptune. Neptune is 40 m in diameter, stores 4.8 MJ of electrical energy in its Marx capacitors, and generates 28 TW of peak electrical power. Since the Marxes are transit-time isolated from each other for 900 ns, they can be triggered at different times to construct-over an interval as long as 1 μ s -the specific load-current time history required for a given experiment. Neptune delivers 1 MJ and 20 MA in a 380-ns current pulse to an 18 -m Ω load; hence Neptune is a megajoule-class 20-MA arbitrary waveform generator. Neptune will allow the international scientific community to conduct dynamic

  11. Progress In Plasma Accelerator Development for Dynamic Formation of Plasma Liners

    Science.gov (United States)

    Thio, Y. C. Francis; Eskridge, Richard; Martin, Adam; Smith, James; Lee, Michael; Cassibry, Jason T.; Griffin, Steven; Rodgers, Stephen L. (Technical Monitor)

    2002-01-01

    An experimental plasma accelerator for magnetic target fusion (MTF) applications under development at the NASA Marshall Space Flight Center is described. The accelerator is a coaxial pulsed plasma thruster (Figure 1). It has been tested experimentally and plasma jet velocities of approx.50 km/sec have been obtained. The plasma jet has been photographed with 10-ns exposure times to reveal a stable and repeatable plasma structure (Figure 2). Data for velocity profile information has been obtained using light pipes and magnetic probes embedded in the gun walls to record the plasma and current transit respectively at various barrel locations. Preliminary spatially resolved spectral data and magnetic field probe data are also presented. A high speed triggering system has been developed and tested as a means of reducing the gun "jitter". This jitter is being characterized and future work for second generation "ultra-low jitter" gun development is being identified.

  12. Plasma Accelerator Development for Dynamic Formation of Plasma Liners: A Status Report

    Science.gov (United States)

    Thio, Y. C. Francis; Eskridge, Richard; Martin, Adam; Smith, James; Lee, Michael; Rodgers, Stephen L. (Technical Monitor)

    2001-01-01

    An experimental plasma accelerator for magnetic target fusion (MTF) applications under development at the NASA Marshall Space Flight Center is described. The accelerator is a pulsed plasma thruster and has been tested experimentally and plasma jet velocities of approximately 50 km/sec have been obtained. The plasma jet structure has been photographed with 10 ns exposure times to reveal a stable and repeatable plasma structure. Data for velocity profile information has been obtained using light pipes embedded in the gun walls to record the plasma transit at various barrel locations. Preliminary spatially resolved spectral data and magnetic field probe data are also presented. A high speed triggering system has been developed and tested as a means of reducing the gun "jitter". This jitter is being characterized and future work for second generation "ultra-low jitter" gun development is being identified.

  13. Orbital dynamics of a solar sail accelerated by thermal desorption of coatings

    CERN Document Server

    Ancona, Elena

    2016-01-01

    In this study we considered a solar sail coated with materials that undergo thermal desorption at a specific temperature, as a result of heating by solar radiation at a particular heliocentric distance. Three different scenarios, that only differ in the way the sail approaches the Sun, were analyzed and compared. In every case once the perihelion is reached, the sail coat undergoes thermal desorption. When the desorption process ends, the sail then escapes the Solar System having the conventional acceleration due to solar radiation pressure. Thermal desorption here comes as an additional source of solar sail acceleration beside traditional propulsion systems for extrasolar space exploration. The compared scenarios are the following: i. Hohmann transfer plus thermal desorption. In this scenario the sail would be carried as a payload to the perihelion with a conventional propulsion system by an Hohmann transfer from Earth's orbit to an orbit very close to the Sun (almost at 0.1 AU) and then be deployed there. i...

  14. Particle Acceleration and Plasma Dynamics during Magnetic Reconnection in the Magnetically-dominated Regime

    CERN Document Server

    Guo, Fan; Daughton, William; Li, Hui

    2015-01-01

    Magnetic reconnection is thought to be the driver for many explosive phenomena in the universe. The energy release and particle acceleration during reconnection have been proposed as a mechanism for producing high-energy emissions and cosmic rays. We carry out two- and three-dimensional kinetic simulations to investigate relativistic magnetic reconnection and the associated particle acceleration. The simulations focus on electron-positron plasmas starting with a magnetically dominated, force-free current sheet ($\\sigma \\equiv B^2/(4\\pi n_e m_e c^2) \\gg 1$). For this limit, we demonstrate that relativistic reconnection is highly efficient at accelerating particles through a first-order Fermi process accomplished by the curvature drift of particles along the electric field induced by the relativistic flows. This mechanism gives rise to the formation of hard power-law spectra $f \\propto (\\gamma-1)^{-p}$ and approaches $p = 1$ for sufficiently large $\\sigma$ and system size. Eventually most of the available magne...

  15. Theta dynamics in rat: speed and acceleration across the Septotemporal axis.

    Directory of Open Access Journals (Sweden)

    Lauren L Long

    Full Text Available Theta (6-12 Hz rhythmicity in the local field potential (LFP reflects a clocking mechanism that brings physically isolated neurons together in time, allowing for the integration and segregation of distributed cell assemblies. Variation in the theta signal has been linked to locomotor speed, sensorimotor integration as well as cognitive processing. Previously, we have characterized the relationship between locomotor speed and theta power and how that relationship varies across the septotemporal (long axis of the hippocampus (HPC. The current study investigated the relationship between whole body acceleration, deceleration and theta indices at CA1 and dentate gyrus (DG sites along the septotemporal axis of the HPC in rats. Results indicate that whole body acceleration and deceleration predicts a significant amount of variability in the theta signal beyond variation in locomotor speed. Furthermore, deceleration was more predictive of variation in theta amplitude as compared to acceleration as rats traversed a linear track. Such findings highlight key variables that systematically predict the variability in the theta signal across the long axis of the HPC. A better understanding of the relative contribution of these quantifiable variables and their variation as a function of experience and environmental conditions should facilitate our understanding of the relationship between theta and sensorimotor/cognitive functions.

  16. Theta dynamics in rat: speed and acceleration across the Septotemporal axis.

    Science.gov (United States)

    Long, Lauren L; Hinman, James R; Chen, Chi-Ming; Escabi, Monty A; Chrobak, James J

    2014-01-01

    Theta (6-12 Hz) rhythmicity in the local field potential (LFP) reflects a clocking mechanism that brings physically isolated neurons together in time, allowing for the integration and segregation of distributed cell assemblies. Variation in the theta signal has been linked to locomotor speed, sensorimotor integration as well as cognitive processing. Previously, we have characterized the relationship between locomotor speed and theta power and how that relationship varies across the septotemporal (long) axis of the hippocampus (HPC). The current study investigated the relationship between whole body acceleration, deceleration and theta indices at CA1 and dentate gyrus (DG) sites along the septotemporal axis of the HPC in rats. Results indicate that whole body acceleration and deceleration predicts a significant amount of variability in the theta signal beyond variation in locomotor speed. Furthermore, deceleration was more predictive of variation in theta amplitude as compared to acceleration as rats traversed a linear track. Such findings highlight key variables that systematically predict the variability in the theta signal across the long axis of the HPC. A better understanding of the relative contribution of these quantifiable variables and their variation as a function of experience and environmental conditions should facilitate our understanding of the relationship between theta and sensorimotor/cognitive functions.

  17. Accelerating solving the dynamic multi-objective nework design problem using response surface methods

    NARCIS (Netherlands)

    Wismans, Luc J.J.; Berkum, van Eric C.; Bliemer, Michiel C.J.

    2011-01-01

    Multi objective optimization of externalities of traffic solving a network design problem in which Dynamic Traffic Management measures are used, is time consuming while heuristics are needed and solving the lower level requires solving the dynamic user equilibrium problem. Use of response surface me

  18. Simple Model for the Deformation-Induced Relaxation of Glassy Polymers

    Science.gov (United States)

    Fielding, S. M.; Larson, R. G.; Cates, M. E.

    2012-01-01

    Glassy polymers show “strain hardening”: at constant extensional load, their flow first accelerates, then arrests. Recent experiments have found this to be accompanied by a striking and unexplained dip in the segmental relaxation time. Here we explain such behavior by combining a minimal model of flow-induced liquefaction of a glass with a description of the stress carried by strained polymers, creating a nonfactorable interplay between aging and strain-induced rejuvenation. Under constant load, liquefaction of segmental motion permits strong flow that creates polymer-borne stress. This slows the deformation enough for the segmental modes to revitrify, causing strain hardening.

  19. Parallelisation of PyHEADTAIL, a Collective Beam Dynamics Code for Particle Accelerator Physics

    CERN Document Server

    Oeftiger, Adrian

    2016-01-01

    The longitudinal tracking engine of the particle accelerator simulation application PyHEADTAIL shows a heavy potential for parallelisation. For basic beam circulation, the tracking functionality with the leap-frog algorithm is extracted and compared between a sequential C and a concurrent CUDA C API implementation for 1 million revolutions. Including the sequential data I/O in both versions, a pure speedup of up to S = 100 is observed which is in the order of magnitude of what is expected from Amdahl's law. From O(100) macro-particles on the overhead of initialising the GPU CUDA device appears outweighed by the concurrent computations on the 448 available CUDA cores.

  20. Catalysis of Protein Folding by Chaperones Accelerates Evolutionary Dynamics in Adapting Cell Populations

    OpenAIRE

    Murat Cetinbaş; Shakhnovich, Eugene I.

    2013-01-01

    Although molecular chaperones are essential components of protein homeostatic machinery, their mechanism of action and impact on adaptation and evolutionary dynamics remain controversial. Here we developed a physics-based ab initio multi-scale model of a living cell for population dynamics simulations to elucidate the effect of chaperones on adaptive evolution. The 6-loci genomes of model cells encode model proteins, whose folding and interactions in cellular milieu can be evaluated exactly f...

  1. Dynamic Resolution in GPU-Accelerated Volume Rendering to Autostereoscopic Multiview Lenticular Displays

    Directory of Open Access Journals (Sweden)

    Daniel Ruijters

    2008-09-01

    Full Text Available The generation of multiview stereoscopic images of large volume rendered data demands an enormous amount of calculations. We propose a method for hardware accelerated volume rendering of medical data sets to multiview lenticular displays, offering interactive manipulation throughout. The method is based on buffering GPU-accelerated direct volume rendered visualizations of the individual views from their respective focal spot positions, and composing the output signal for the multiview lenticular screen in a second pass. This compositing phase is facilitated by the fact that the view assignment per subpixel is static, and therefore can be precomputed. We decoupled the resolution of the individual views from the resolution of the composited signal, and adjust the resolution on-the-fly, depending on the available processing resources, in order to maintain interactive refresh rates. The optimal resolution for the volume rendered views is determined by means of an analysis of the lattice of the output signal for the lenticular screen in the Fourier domain.

  2. Chemical isomeric effects on propanol glassy structures

    CERN Document Server

    Cuello, G J; Bermejo, F J; Cabrillo, C

    2002-01-01

    We have studied the structure of both propanol isomers in their glassy and crystalline states by neutron diffraction. The glass-transition temperatures of 1- and 2-propanol are about 98 and 115 K, respectively and, surprisingly, even larger differences are observed for the melting temperatures of the stable crystals, which are 148 and 185 K, respectively. Their supercooled liquid phases show rather different relaxation spectra, 1-propanol manifesting strong deviations from Debye behavior, whereas 2-propanol shows a far weaker effect. We discuss the spectra obtained for the static structure factor and the static pair correlation function D(r). There is a noticeable difference in the position of the first sharp diffraction peak, which clearly indicates a density change, well correlated with the period of the intermolecular oscillations shown by D(r). (orig.)

  3. High temperature annealing studies of strontium ion implanted glassy carbon

    Science.gov (United States)

    Odutemowo, O. S.; Malherbe, J. B.; Prinsloo, L.; Langa, D. F.; Wendler, E.

    2016-03-01

    Glassy carbon samples were implanted with 200 keV strontium ions to a fluence of 2 × 1016 ions/cm2 at room temperature. Analysis with Raman spectroscopy showed that ion bombardment amorphises the glassy carbon structure. Partial recovery of the glassy carbon structure was achieved after the implanted sample was vacuum annealed at 900 °C for 1 h. Annealing the strontium ion bombarded sample at 2000 °C for 5 h resulted in recovery of the glassy carbon substrate with the intensity of the D peak becoming lower than that of the pristine glassy carbon. Rutherford backscattering spectroscopy (RBS) showed that the implanted strontium diffused towards the surface of the glassy carbon after annealing the sample at 900 °C. This diffusion was also accompanied by loss of the implanted strontium. Comparison between the as-implanted and 900 °C depth profiles showed that less than 30% of the strontium was retained in the glassy carbon after heat treatment at 900 °C. The RBS profile after annealing at 2000 °C indicated that no strontium ions were retained after heat treatment at this temperature.

  4. High temperature annealing studies of strontium ion implanted glassy carbon

    Energy Technology Data Exchange (ETDEWEB)

    Odutemowo, O.S., E-mail: u12052613@tuks.co.za [Department of Physics, University of Pretoria, Pretoria 0002 (South Africa); Malherbe, J.B.; Prinsloo, L.; Langa, D.F. [Department of Physics, University of Pretoria, Pretoria 0002 (South Africa); Wendler, E. [Institut für Festkörperphysik, Friedrich-Schiller University, Jena (Germany)

    2016-03-15

    Glassy carbon samples were implanted with 200 keV strontium ions to a fluence of 2 × 10{sup 16} ions/cm{sup 2} at room temperature. Analysis with Raman spectroscopy showed that ion bombardment amorphises the glassy carbon structure. Partial recovery of the glassy carbon structure was achieved after the implanted sample was vacuum annealed at 900 °C for 1 h. Annealing the strontium ion bombarded sample at 2000 °C for 5 h resulted in recovery of the glassy carbon substrate with the intensity of the D peak becoming lower than that of the pristine glassy carbon. Rutherford backscattering spectroscopy (RBS) showed that the implanted strontium diffused towards the surface of the glassy carbon after annealing the sample at 900 °C. This diffusion was also accompanied by loss of the implanted strontium. Comparison between the as-implanted and 900 °C depth profiles showed that less than 30% of the strontium was retained in the glassy carbon after heat treatment at 900 °C. The RBS profile after annealing at 2000 °C indicated that no strontium ions were retained after heat treatment at this temperature.

  5. Accelerating the transition towards sustainability dynamics into supply chain relationship management and governance structures

    DEFF Research Database (Denmark)

    Govindan, Kannan; Seuring, Stefan; Zhu, Qinghua

    2016-01-01

    , sustainable, post-fossil carbon societies by working with all relevant stakeholders. This Special Volume of Journal of Cleaner Production is focused upon on diverse types of supply chain relationships, governance mechanisms, and innovations, which can foster effective and efficient sustainable supply chain......Stakeholders and competitive priorities drive profit and non-profit organizations towards the implementation of sustainability-related measures, in their internal operations, and in their supply chains planning. It is believed by some that investments in sustainability may help them to attain more...... successful futures by maintaining a healthy balance among economic, environmental, and social resources/dimensions. Consequently, some organizations have begun to integrate these dimensions in recent years. Researchers and practitioners are also working to accelerate the transition for more equitable...

  6. GPU accelerated Monte Carlo simulation of Brownian motors dynamics with CUDA

    Science.gov (United States)

    Spiechowicz, J.; Kostur, M.; Machura, L.

    2015-06-01

    This work presents an updated and extended guide on methods of a proper acceleration of the Monte Carlo integration of stochastic differential equations with the commonly available NVIDIA Graphics Processing Units using the CUDA programming environment. We outline the general aspects of the scientific computing on graphics cards and demonstrate them with two models of a well known phenomenon of the noise induced transport of Brownian motors in periodic structures. As a source of fluctuations in the considered systems we selected the three most commonly occurring noises: the Gaussian white noise, the white Poissonian noise and the dichotomous process also known as a random telegraph signal. The detailed discussion on various aspects of the applied numerical schemes is also presented. The measured speedup can be of the astonishing order of about 3000 when compared to a typical CPU. This number significantly expands the range of problems solvable by use of stochastic simulations, allowing even an interactive research in some cases.

  7. GPU accelerated Monte Carlo simulation of Brownian motors dynamics with CUDA

    CERN Document Server

    Spiechowicz, J; Machura, L

    2014-01-01

    This work presents an updated and extended guide on methods of a proper acceleration of the Monte Carlo integration of stochastic differential equations with the commonly available NVIDIA Graphics Processing Units using the CUDA programming environment. We outline the general aspects of the scientific computing on graphics cards and demonstrate them with two models of a well known phenomenon of the noise induced transport of Brownian motors in periodic structures. As a source of fluctuations in the considered systems we selected the three most commonly occurring noises: the Gaussian white noise, the white Poissonian noise and the dichotomous process also known as a random telegraph signal. The detailed discussion on various aspects of the applied numerical schemes is also presented. The measured speedup can be of the astonishing order of 2000 when compared to a typical CPU. This number significantly expands the range of problems solvable by use of stochastic simulations, allowing even an interactive research ...

  8. Experimental investigation of picosecond dynamics following interactions between laser accelerated protons and water

    Science.gov (United States)

    Senje, L.; Coughlan, M.; Jung, D.; Taylor, M.; Nersisyan, G.; Riley, D.; Lewis, C. L. S.; Lundh, O.; Wahlström, C.-G.; Zepf, M.; Dromey, B.

    2017-03-01

    We report direct experimental measurements with picosecond time resolution of how high energy protons interact with water at extreme dose levels (kGy), delivered in a single pulse with the duration of less than 80 ps. The unique synchronisation possibilities of laser accelerated protons with an optical probe pulse were utilized to investigate the energy deposition of fast protons in water on a time scale down to only a few picoseconds. This was measured using absorbance changes in the water, induced by a population of solvated electrons created in the tracks of the high energy protons. Our results indicate that for sufficiently high doses delivered in short pulses, intertrack effects will affect the yield of solvated electrons. The experimental scheme allows for investigation of the ultrafast mechanisms occurring in proton water radiolysis, an area of physics especially important due to its relevance in biology and for proton therapy.

  9. Hierarchical incremental path planning and situation-dependent optimized dynamic motion planning considering accelerations.

    Science.gov (United States)

    Lai, Xue-Cheng; Ge, Shuzhi Sam; Al Mamun, Abdullah

    2007-12-01

    This paper studies a hierarchical approach for incrementally driving a nonholonomic mobile robot to its destination in unknown environments. The A* algorithm is modified to handle a map containing unknown information. Based on it, optimal (discrete) paths are incrementally generated with a periodically updated map. Next, accelerations in varying velocities are taken into account in predicting the robot pose and the robot trajectory resulting from a motion command. Obstacle constraints are transformed to suitable velocity limits so that the robot can move as fast as possible while avoiding collisions when needed. Then, to trace the discrete path, the system searches for a waypoint-directed optimized motion in a reduced 1-D translation or rotation velocity space. Various situations of navigation are dealt with by using different strategies rather than a single objective function. Extensive simulations and experiments verified the efficacy of the proposed approach.

  10. Acceleration of solving the dynamic multi-objective network design problem using response surface methods

    NARCIS (Netherlands)

    Wismans, L.J.J.; Berkum, van E.C.; Bliemer, M.C.J.

    2014-01-01

    Optimization of externalities and accessibility using dynamic traffic management measures on a strategic level is a specific example of solving a multi-objective network design problem. Solving this optimization problem is time consuming, because heuristics like evolutionary multi objective algorith

  11. Catalysis of protein folding by chaperones accelerates evolutionary dynamics in adapting cell populations.

    Science.gov (United States)

    Cetinbaş, Murat; Shakhnovich, Eugene I

    2013-01-01

    Although molecular chaperones are essential components of protein homeostatic machinery, their mechanism of action and impact on adaptation and evolutionary dynamics remain controversial. Here we developed a physics-based ab initio multi-scale model of a living cell for population dynamics simulations to elucidate the effect of chaperones on adaptive evolution. The 6-loci genomes of model cells encode model proteins, whose folding and interactions in cellular milieu can be evaluated exactly from their genome sequences. A genotype-phenotype relationship that is based on a simple yet non-trivially postulated protein-protein interaction (PPI) network determines the cell division rate. Model proteins can exist in native and molten globule states and participate in functional and all possible promiscuous non-functional PPIs. We find that an active chaperone mechanism, whereby chaperones directly catalyze protein folding, has a significant impact on the cellular fitness and the rate of evolutionary dynamics, while passive chaperones, which just maintain misfolded proteins in soluble complexes have a negligible effect on the fitness. We find that by partially releasing the constraint on protein stability, active chaperones promote a deeper exploration of sequence space to strengthen functional PPIs, and diminish the non-functional PPIs. A key experimentally testable prediction emerging from our analysis is that down-regulation of chaperones that catalyze protein folding significantly slows down the adaptation dynamics.

  12. Catalysis of protein folding by chaperones accelerates evolutionary dynamics in adapting cell populations.

    Directory of Open Access Journals (Sweden)

    Murat Cetinbaş

    Full Text Available Although molecular chaperones are essential components of protein homeostatic machinery, their mechanism of action and impact on adaptation and evolutionary dynamics remain controversial. Here we developed a physics-based ab initio multi-scale model of a living cell for population dynamics simulations to elucidate the effect of chaperones on adaptive evolution. The 6-loci genomes of model cells encode model proteins, whose folding and interactions in cellular milieu can be evaluated exactly from their genome sequences. A genotype-phenotype relationship that is based on a simple yet non-trivially postulated protein-protein interaction (PPI network determines the cell division rate. Model proteins can exist in native and molten globule states and participate in functional and all possible promiscuous non-functional PPIs. We find that an active chaperone mechanism, whereby chaperones directly catalyze protein folding, has a significant impact on the cellular fitness and the rate of evolutionary dynamics, while passive chaperones, which just maintain misfolded proteins in soluble complexes have a negligible effect on the fitness. We find that by partially releasing the constraint on protein stability, active chaperones promote a deeper exploration of sequence space to strengthen functional PPIs, and diminish the non-functional PPIs. A key experimentally testable prediction emerging from our analysis is that down-regulation of chaperones that catalyze protein folding significantly slows down the adaptation dynamics.

  13. Acceleration of the KINETICS Integrated Dynamical/Chemical Computational Model Using MPI

    Science.gov (United States)

    Grossman, Max; Willacy, Karen; Allen, Mark

    2011-01-01

    Understanding the evolution of a planet's atmosphere not only provides a better theoretical understanding of planetary physics and the formation of planets, but also grants useful insight into Earth's own atmosphere. One of the tools used at JPL for the modeling of planetary atmospheres and protostellar disks is KINETICS. KINETICS can simulate years of complex dynamics and chemistry.

  14. Beam dynamics and error study of the medium energy beam transport line in the Korea Heavy-Ion Medical Accelerator

    Science.gov (United States)

    Kim, Chanmi; Kim, Eun-San; Hahn, Garam

    2016-11-01

    The Korea Heavy Ion Medical Accelerator consists of an injector and a synchrotron for an ion medical accelerator that is the first carbon-ion therapy system in Korea. The medium energy beam transport(MEBT) line connects the interdigital H-mode drift tube linac and the synchrotron. We investigated the beam conditions after the charge stripper by using the LISE++ and the SRIM codes. The beam was stripped from C4+ into C6+ by using the charge stripper. We investigated the performance of a de-buncher in optimizing the energy spread and the beam distribution in z-dW/W (direction of beam progress-beam and energy) phase. We obtained the results of the tracking simulation and the error analysis by using the TRACK code. Possible misalignments and rotations of the magnets were considered in the simulations. States of the beam were examined when errors occurred in the magnets by the applying analytic fringe field model in TRACK code. The condition for the beam orbit was optimized by using correctors and profile monitors to correct the orbit. In this paper, we focus on the beam dynamics and the error studies dedicated to the MEBT beam line and show the optimized beam parameters for the MEBT.

  15. An Accelerated Molecular Dynamics Study of the GaAs (001) β2(2x4) Reconstruction

    Science.gov (United States)

    Mignogna, Maria; Fichthorn, Kristen

    2008-03-01

    The GaAs (001) β2(2x4) reconstruction is the most commonly used substrate for growth in GaAs homoepitaxy by molecular beam epitaxy. While the atomic positions of the β2(2x4) unit cell have been determined, reflection high energy electron diffraction and scanning tunneling microscopy images show long range disorder on this surface[1]. It is hypothesized that domains of anti-phase β2(2x4) unit cells can be created by vacancies or As dimer shifts. Accelerated molecular dynamics (MD) allows us to examine atomic scale processes that can lead to this disorder. We have developed an adaptive accelerated MD scheme based on the bond boost method of Miron and Fichthorn[2]. The adaptive method is suitable for the rough energy landscape presented by GaAs (001). In the adaptive method, both the length thresholds for determining transition states and the magnitude of the boost are calculated on the fly. We are able to extend the physical timescale of the simulation by several orders of magnitude. We see events that lead to small domains of As dimers shifting. By simulating RHEED images of the surface, we link the disorder to experiment. [1] D.W. Pashley, J.H. Neave, B.A. Joyce, Surf. Sci., 582, 189 (2005) [2] R.A Miron, K.A. Fichthorn, J. Chem. Phys., 119, 6210 (2003)

  16. Weak temporal signals can synchronize and accelerate the transition dynamics of biopolymers under tension

    CERN Document Server

    Kim, Won Kyu; Sung, Wokyung

    2012-01-01

    In addition to thermal noise, which is essential to promote conformational transitions in biopolymers, cellular environment is replete with a spectrum of athermal fluctuations that are produced from a plethora of active processes. To understand the effect of athermal noise on biological processes, we studied how a small oscillatory force affects the thermally induced folding and unfolding transition of an RNA hairpin, whose response to constant tension had been investigated extensively in both theory and experiments. Strikingly, our molecular simulations performed under overdamped condition show that even at a high (low) tension that renders the hairpin (un)folding improbable, a weak external oscillatory force at a certain frequency can synchronously enhance the transition dynamics of RNA hairpin and increase the mean transition rate. Furthermore, the RNA dynamics can still discriminate a signal with resonance frequency even when the signal is mixed among other signals with nonresonant frequencies. In fact, o...

  17. Linking Equilibrium and Nonequilibrium Dynamics in Glass-Forming Systems

    DEFF Research Database (Denmark)

    Mauro, John C.; Guo, Xiaoju; Smedskjær, Morten Mattrup

    , we show that the nonequilibrium glassy dynamics are intimately connected with the equilibrium liquid dynamics. This is accomplished by deriving a new functional form for the thermal history dependence of nonequilibrium viscosity, which is validated against experimental measurements of industrial......Understanding nonequilibrium glassy dynamics is of great scientific and technological importance. However, prediction of the temperature, thermal history, and composition dependence of nonequilibrium viscosity is challenging due to the noncrystalline and nonergodic nature of the glassy state. Here...

  18. Accelerated molecular dynamics force evaluation on graphics processing units for thermal conductivity calculations

    OpenAIRE

    Fan, Zheyong; Siro, Topi; Harju, Ari

    2012-01-01

    In this paper, we develop a highly efficient molecular dynamics code fully implemented on graphics processing units for thermal conductivity calculations using the Green-Kubo formula. We compare two different schemes for force evaluation, a previously used thread-scheme where a single thread is used for one particle and each thread calculates the total force for the corresponding particle, and a new block-scheme where a whole block is used for one particle and each thread in the block calcula...

  19. Dynamic real-time 4D cardiac MDCT image display using GPU-accelerated volume rendering.

    Science.gov (United States)

    Zhang, Qi; Eagleson, Roy; Peters, Terry M

    2009-09-01

    Intraoperative cardiac monitoring, accurate preoperative diagnosis, and surgical planning are important components of minimally-invasive cardiac therapy. Retrospective, electrocardiographically (ECG) gated, multidetector computed tomographical (MDCT), four-dimensional (3D + time), real-time, cardiac image visualization is an important tool for the surgeon in such procedure, particularly if the dynamic volumetric image can be registered to, and fused with the actual patient anatomy. The addition of stereoscopic imaging provides a more intuitive environment by adding binocular vision and depth cues to structures within the beating heart. In this paper, we describe the design and implementation of a comprehensive stereoscopic 4D cardiac image visualization and manipulation platform, based on the opacity density radiation model, which exploits the power of modern graphics processing units (GPUs) in the rendering pipeline. In addition, we present a new algorithm to synchronize the phases of the dynamic heart to clinical ECG signals, and to calculate and compensate for latencies in the visualization pipeline. A dynamic multiresolution display is implemented to enable the interactive selection and emphasis of volume of interest (VOI) within the entire contextual cardiac volume and to enhance performance, and a novel color and opacity adjustment algorithm is designed to increase the uniformity of the rendered multiresolution image of heart. Our system provides a visualization environment superior to noninteractive software-based implementations, but with a rendering speed that is comparable to traditional, but inferior quality, volume rendering approaches based on texture mapping. This retrospective ECG-gated dynamic cardiac display system can provide real-time feedback regarding the suspected pathology, function, and structural defects, as well as anatomical information such as chamber volume and morphology.

  20. On the Design of a Gasgun Accelerator for Dynamic Warhead Tests

    Science.gov (United States)

    1993-10-01

    warheadversneller- systeem is aangetoond en een aantal deelontwerpen opgesteld. Het nadere ontwerp en de constructie van het systeem lijken grotendeels binnen de...Dist Avail a~d/ior Spucial TNO-report PML. 253291358 Page 3 CONTENTS SUMMARY/SAMENVATTING 2 CONTENTS 3 1 INTRODUCTION 6 1.1 The present PML test...gasgun system for dynamic warhead tests, including 25 kf for program management INTERNAL EXTERNAL (kf) (kf) 315 335 TOTAL COST 650 12.4 Operating

  1. Weak temporal signals can synchronize and accelerate the transition dynamics of biopolymers under tension

    Science.gov (United States)

    Kim, Won Kyu; Hyeon, Changbong; Sung, Wokyung

    2012-01-01

    In addition to thermal noise, which is essential to promote conformational transitions in biopolymers, the cellular environment is replete with a spectrum of athermal fluctuations that are produced from a plethora of active processes. To understand the effect of athermal noise on biological processes, we studied how a small oscillatory force affects the thermally induced folding and unfolding transition of an RNA hairpin, whose response to constant tension had been investigated extensively in both theory and experiments. Strikingly, our molecular simulations performed under overdamped condition show that even at a high (low) tension that renders the hairpin (un)folding improbable, a weak external oscillatory force at a certain frequency can synchronously enhance the transition dynamics of RNA hairpin and increase the mean transition rate. Furthermore, the RNA dynamics can still discriminate a signal with resonance frequency even when the signal is mixed among other signals with nonresonant frequencies. In fact, our computational demonstration of thermally induced resonance in RNA hairpin dynamics is a direct realization of the phenomena called stochastic resonance and resonant activation. Our study, amenable to experimental tests using optical tweezers, is of great significance to the folding of biopolymers in vivo that are subject to the broad spectrum of cellular noises. PMID:22908254

  2. Weak temporal signals can synchronize and accelerate the transition dynamics of biopolymers under tension.

    Science.gov (United States)

    Kim, Won Kyu; Hyeon, Changbong; Sung, Wokyung

    2012-09-04

    In addition to thermal noise, which is essential to promote conformational transitions in biopolymers, the cellular environment is replete with a spectrum of athermal fluctuations that are produced from a plethora of active processes. To understand the effect of athermal noise on biological processes, we studied how a small oscillatory force affects the thermally induced folding and unfolding transition of an RNA hairpin, whose response to constant tension had been investigated extensively in both theory and experiments. Strikingly, our molecular simulations performed under overdamped condition show that even at a high (low) tension that renders the hairpin (un)folding improbable, a weak external oscillatory force at a certain frequency can synchronously enhance the transition dynamics of RNA hairpin and increase the mean transition rate. Furthermore, the RNA dynamics can still discriminate a signal with resonance frequency even when the signal is mixed among other signals with nonresonant frequencies. In fact, our computational demonstration of thermally induced resonance in RNA hairpin dynamics is a direct realization of the phenomena called stochastic resonance and resonant activation. Our study, amenable to experimental tests using optical tweezers, is of great significance to the folding of biopolymers in vivo that are subject to the broad spectrum of cellular noises.

  3. Solving the Accelerator-Condenser Coupling Problem in a Nanosecond Dynamic Transmission Electron Microscope

    Energy Technology Data Exchange (ETDEWEB)

    Reed, B W; LaGrange, T; Shuttlesworth, R M; Gibson, D J; Campbell, G H; Browning, N D

    2009-12-29

    We describe a modification to a transmission electron microscope (TEM) that allows it to briefly (using a pulsed-laser-driven photocathode) operate at currents in excess of 10 mA while keeping the effects of condenser lens aberrations to a minimum. This modification allows real-space imaging of material microstructure with a resolution of order 10 nm over regions several {micro}m across with an exposure time of 15 ns. This is more than 6 orders of magnitude faster than typical video-rate TEM imaging. The key is the addition of a weak magnetic lens to couple the large-diameter high-current beam exiting the accelerator into the acceptance aperture of a conventional TEM condenser lens system. We show that the performance of the system is essentially consistent with models derived from ray tracing and finite element simulations. The instrument can also be operated as a conventional TEM by using the electron gun in a thermionic mode. The modification enables very high electron current densities in {micro}m-sized areas and could also be used in a non-pulsed system for high-throughput imaging and analytical TEM.

  4. Glassy state on the undergraduate course in chemistry (physical chemistry).

    OpenAIRE

    Yamaki, SB; Pedroso, AG; ATVARS, TDZ

    2002-01-01

    We consider the relevance of the study of the glassy state properties and the glass transition as important topics of the physical chemistry for undergraduate courses of Chemistry. Two of the most important theoretical approaches for the description of the glassy state, the thermodynamic and the kinetic models, are summarized with emphasis on the physical chemistry aspects. Examples illustrating the glass transition of some materials are also presented.

  5. Accelerated Training for Command Dynamic Decision Making: A Pilot Study Using Microworlds

    Science.gov (United States)

    2006-12-01

    provided. Résumé La prise de décision dynamique (PDD) constitue une aptitude très en demande mais difficile à enseigner pour les commandants...difficile à enseigner pour la prise de décision pour le commandement dans les FC. Il s’agit aussi d’une aptitude cognitive difficile, particulièrement...The former topic is made complicated by the fact that the subcomponents of a complex dynamic system typically interact in non-linear fashion, and

  6. Statistical Method for Nonequilibrium Systems with Application to Accelerator Beam Dynamics

    Science.gov (United States)

    Meller, Robert Edwin

    In this thesis, a method is developed for calculating the limit cycle distribution of a many-particle system in weak contact with a heat bath. Both externally driven systems and unstable systems with mean-field collective interaction are considered. The system is described by a Fokker-Planck equation, and then the single particle motion is transformed to action -angle coordinates to separate the thermal and mechanical time dependencies. The equation is then averaged over angle variables to remove the mechanical motion and produce an equation with only thermal motion in action space. The limit cycle is the time-independent solution of the averaged equation. As an example of a driven system, the distribution of driven oscillators is calculated in the region of action space near a nonlinear resonance, and the perpetual currents known as resonance streaming are shown. As an example of collective instability, the thermodynamic stability of a system of oscillators with a long range cosine potential is considered. For the case of an attractive potential, time dependent limit cycles are found with lower free energy than equilibrium. Hence, this is a conservative many-body system which oscillates spontaneously when placed in contact with a heat bath. This prediction is verified with numerical simulations. The phenomenon of accelerator bunch lengthening is then explained as an example of thermal instability which has been enhanced by the nonconservative nature of the wake field coupling force. The threshold of thermal instability is shown to be related to the total energy loss of the charge bunch, rather than to the collective frequency shift as predicted for the threshold of mechanical instability by the linearized Vlasov equation. Numerical calculations of bunch lengthening in the electron storage ring SPEAR are presented, and compared with simulations.

  7. A coupled ordinates method for solution acceleration of rarefied gas dynamics simulations

    Science.gov (United States)

    Das, Shankhadeep; Mathur, Sanjay R.; Alexeenko, Alina; Murthy, Jayathi Y.

    2015-05-01

    Non-equilibrium rarefied flows are frequently encountered in a wide range of applications, including atmospheric re-entry vehicles, vacuum technology, and microscale devices. Rarefied flows at the microscale can be effectively modeled using the ellipsoidal statistical Bhatnagar-Gross-Krook (ESBGK) form of the Boltzmann kinetic equation. Numerical solutions of these equations are often based on the finite volume method (FVM) in physical space and the discrete ordinates method in velocity space. However, existing solvers use a sequential solution procedure wherein the velocity distribution functions are implicitly coupled in physical space, but are solved sequentially in velocity space. This leads to explicit coupling of the distribution function values in velocity space and slows down convergence in systems with low Knudsen numbers. Furthermore, this also makes it difficult to solve multiscale problems or problems in which there is a large range of Knudsen numbers. In this paper, we extend the coupled ordinates method (COMET), previously developed to study participating radiative heat transfer, to solve the ESBGK equations. In this method, at each cell in the physical domain, distribution function values for all velocity ordinates are solved simultaneously. This coupled solution is used as a relaxation sweep in a geometric multigrid method in the spatial domain. Enhancements to COMET to account for the non-linearity of the ESBGK equations, as well as the coupled implementation of boundary conditions, are presented. The methodology works well with arbitrary convex polyhedral meshes, and is shown to give significantly faster solutions than the conventional sequential solution procedure. Acceleration factors of 5-9 are obtained for low to moderate Knudsen numbers on single processor platforms.

  8. Particle acceleration and dynamics of double-double radio galaxies: theory vs. observations

    CERN Document Server

    Konar, C

    2013-01-01

    In this paper we show that a small sample of radio galaxies with evidence for multiple epochs of jet activity (so-called `double-double' radio galaxies) have the same electron injection spectral index in the two activity episodes, a result which might be considered surprising given the very different lobe dynamics expected in the first and second episode. We construct models for the dynamics of radio galaxies, with an emphasis on their episodic behaviour, and show that hotspot formation and confinement of lobes for the inner double of double-double radio galaxies are possible even without any thermal matter in the outer cocoon. We argue that (i) the observed similar injection spectral indices are due to similar jet powers in the two episodes, (ii) the `spectral index--radio power' correlation of a flux limited sample of radio galaxies is the primary one, and not the `spectral index--redshift correlation', (iii) jets are made of pair plasma and not electron-proton, (iv) and the Lorentz factor of the spine of t...

  9. Temperature-accelerated molecular dynamics gives insights into globular conformations sampled in the free state of the AC catalytic domain.

    Science.gov (United States)

    Selwa, Edithe; Huynh, Tru; Ciccotti, Giovanni; Maragliano, Luca; Malliavin, Thérèse E

    2014-10-01

    The catalytic domain of the adenyl cyclase (AC) toxin from Bordetella pertussis is activated by interaction with calmodulin (CaM), resulting in cAMP overproduction in the infected cell. In the X-ray crystallographic structure of the complex between AC and the C terminal lobe of CaM, the toxin displays a markedly elongated shape. As for the structure of the isolated protein, experimental results support the hypothesis that more globular conformations are sampled, but information at atomic resolution is still lacking. Here, we use temperature-accelerated molecular dynamics (TAMD) simulations to generate putative all-atom models of globular conformations sampled by CaM-free AC. As collective variables, we use centers of mass coordinates of groups of residues selected from the analysis of standard molecular dynamics (MD) simulations. Results show that TAMD allows extended conformational sampling and generates AC conformations that are more globular than in the complexed state. These structures are then refined via energy minimization and further unrestrained MD simulations to optimize inter-domain packing interactions, thus resulting in the identification of a set of hydrogen bonds present in the globular conformations.

  10. Acceleration of Relativistic Electron Dynamics by Means of X2C Transformation: Application to the Calculation of Nonlinear Optical Properties.

    Science.gov (United States)

    Konecny, Lukas; Kadek, Marius; Komorovsky, Stanislav; Malkina, Olga L; Ruud, Kenneth; Repisky, Michal

    2016-12-13

    The Liouville-von Neumann equation based on the four-component matrix Dirac-Kohn-Sham Hamiltonian is transformed to a quasirelativistic exact two-component (X2C) form and then used to solve the time evolution of the electronic states only. By this means, a significant acceleration by a factor of 7 or more has been achieved. The transformation of the original four-component equation of motion is formulated entirely in matrix algebra, following closely the X2C decoupling procedure of Ilias and Saue [ J. Chem. Phys. 2007 , 126 , 064102 ] proposed earlier for a static (time-independent) case. In a dynamic (time-dependent) regime, however, an adiabatic approximation must in addition be introduced in order to preserve the block-diagonal form of the time-dependent Dirac-Fock operator during the time evolution. The resulting X2C Liouville-von Neumann electron dynamics (X2C-LvNED) is easy to implement as it does not require an explicit form of the picture-change transformed operators responsible for the (higher-order) relativistic corrections and/or interactions with external fields. To illustrate the accuracy and performance of the method, numerical results and computational timings for nonlinear optical properties are presented. All of the time domain X2C-LvNED results show excellent agreement with the reference four-component calculations as well as with the results obtained from frequency domain response theory.

  11. Accelerated molecular dynamics simulations of the octopamine receptor using GPUs: discovery of an alternate agonist-binding position.

    Science.gov (United States)

    Kastner, Kevin W; Izaguirre, Jesús A

    2016-10-01

    Octopamine receptors (OARs) perform key biological functions in invertebrates, making this class of G-protein coupled receptors (GPCRs) worth considering for insecticide development. However, no crystal structures and very little research exists for OARs. Furthermore, GPCRs are large proteins, are suspended in a lipid bilayer, and are activated on the millisecond timescale, all of which make conventional molecular dynamics (MD) simulations infeasible, even if run on large supercomputers. However, accelerated Molecular Dynamics (aMD) simulations can reduce this timescale to even hundreds of nanoseconds, while running the simulations on graphics processing units (GPUs) would enable even small clusters of GPUs to have processing power equivalent to hundreds of CPUs. Our results show that aMD simulations run on GPUs can successfully obtain the active and inactive state conformations of a GPCR on this reduced timescale. Furthermore, we discovered a potential alternate active-state agonist-binding position in the octopamine receptor which has yet to be observed and may be a novel GPCR agonist-binding position. These results demonstrate that a complex biological system with an activation process on the millisecond timescale can be successfully simulated on the nanosecond timescale using a simple computing system consisting of a small number of GPUs. Proteins 2016; 84:1480-1489. © 2016 Wiley Periodicals, Inc.

  12. Glassy state of native collagen fibril?

    Science.gov (United States)

    Gevorkian, S. G.; Allahverdyan, A. E.; Gevorgyan, D. S.; Hu, C.-K.

    2011-07-01

    Our micromechanical experiments show that viscoelastic features of type-I collagen fibril at physiological temperatures display essential dependence on the frequency and speed of heating. For temperatures of 20-30 °C the internal friction has a sharp maximum for a frequency less than 2 kHz. Upon heating the internal friction displays a peak at a temperature Tsoft(v) that essentially depends on the speed of heating v: Tsoft≈70°C for v=1°C/min, and Tsoft≈25°C for v=0.1°C/min. At the same temperature Tsoft(v) Young's modulus passes through a minimum. All these effects are specific for the native state of the fibril and disappear after heat-denaturation. Taken together with the known facts that the fibril is axially ordered as quasicrystal, but disordered laterally, we interpret our findings as indications of a glassy state, where Tsoft is the softening transition.

  13. Electrochemistry of ABTS at Glassy Carbon Electrodes

    Institute of Scientific and Technical Information of China (English)

    Han Zeng; Zhi-qiang Tang; Ling-wen Liao; Jing Kang; Yan-xia Chen

    2011-01-01

    The electrochemical and the mass transport behavior of ABTS2-/ABTS- (2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonate)) redox couple at glassy carbon electrode (GCE) in phosphate buffer solution (PBS,pH=4.4) is studied in detail by cyclic voltammetry combined with rotating disk electrode system.From the i-E curves recorded at different electrode rotating rate,rate constant,and transfer coefficient for ABTS 2-(≒)ABTS-+e reaction at GCE electrode and the diffusion coefficient of ABTS2- in PBS are estimated to be 4.6× 10-3 cm/s,0.28,and 4.4× 10-6 cm2/s,respectively.The transfer coefficient with a value of ca.0.28 differs largely from the value of 0.5 that is always assumed in the literature.The origins for the difference of the rate constant determined and the challenges for estimating the standard rate constant are discussed.The performance for such ABTS2- mediated bio-cathode toward oxygen reduction reaction is discussed according to the over-potential drop as well as current output limit associated with the charge transfer kinetics of ABTS2- (≒)ABTS- +e redox reaction and/or the mass transport effect.

  14. Autonomic Self-Repairing Glassy Materials

    Energy Technology Data Exchange (ETDEWEB)

    Coillot, D.; Mear, F.O.; Montagne, L. [Univ Lille Nord France, CNRS, Unite Catalyse and Chim Solide, UMR 8181, F-59652 Villeneuve Dascq (France); Podor, R. [CEA Marcoule, CNRS UM2 ENSCM, Inst Chim Separat Marcoule, UMR 5257, 30 (France)

    2010-07-01

    A new process that enables glassy materials to self-repair from mechanical damage is presented in this paper. Contrary to intrinsic self-healing, which involves overheating to enable crack healing by glass softening, this process is based on an extrinsic effect produced by vanadium boride (VB) particles dispersed within the glass matrix. Self-repair is obtained through the oxidation of VB particles, and thus without the need to increase the operating temperature. The VB healing agent is selected for its capacity to oxidize at a lower temperature than the softening point of the glass. Thermogravimetric analyses indeed show that VB oxidation is rapid and occurs below the glass transition temperature. Solid-state nuclear magnetic resonance spectroscopy indicates that VB is oxidized into V{sub 2}O{sub 5} and B{sub 2}O{sub 3}, which enable the local formation of glass. The autonomic self-healing effect is demonstrated by an in situ experiment visualized using an environmental scanning electron microscope. It is shown that a crack could be healed by the VB oxidation products. (authors)

  15. Modeling the dynamics of the lead bismuth eutectic experimental accelerator driven system by an infinite impulse response locally recurrent neural network

    Energy Technology Data Exchange (ETDEWEB)

    Zio, Enrico; Pedroni, Nicola; Broggi, Matteo; Golea, Lucia Roxana [Polytechnic of Milan, Milan (Italy)

    2009-12-15

    In this paper, an infinite impulse response locally recurrent neural network (IIR-LRNN) is employed for modelling the dynamics of the Lead Bismuth Eutectic eXperimental Accelerator Driven System (LBE-XADS). The network is trained by recursive back-propagation (RBP) and its ability in estimating transients is tested under various conditions. The results demonstrate the robustness of the locally recurrent scheme in the reconstruction of complex nonlinear dynamic relationships

  16. Molecular dynamics study of accelerated ion-induced shock waves in biological media

    CERN Document Server

    de Vera, Pablo; Currell, Fred J; Solov'yov, Andrey V

    2016-01-01

    We present a molecular dynamics study of the effects of carbon- and iron-ion induced shock waves in DNA duplexes in liquid water. We use the CHARMM force field implemented within the MBN Explorer simulation package to optimize and equilibrate DNA duplexes in liquid water boxes of different sizes and shapes. The translational and vibrational degrees of freedom of water molecules are excited according to the energy deposited by the ions and the subsequent shock waves in liquid water are simulated. The pressure waves generated are studied and compared with an analytical hydrodynamics model which serves as a benchmark for evaluating the suitability of the simulation boxes. The energy deposition in the DNA backbone bonds is also monitored as an estimation of biological damage, something which lies beyond the possibilities of the analytical model.

  17. Accelerating Dissipative Particle Dynamics Simulations on GPUs: Algorithms, Numerics and Applications

    CERN Document Server

    Tang, Yu-Hang

    2013-01-01

    We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores and almost linear weak scaling across a thousand nodes. A unified framework is developed within which the efficient generation of the neighbor list and maintaining particle data locality are addressed. Our algorithm generates strictly ordered neighbor lists in parallel, while the construction is deterministic and makes no use of atomic operations or sorting. Such neighbor list leads to optimal data loading efficiency when combined with a two-level particle reordering scheme. A faster in situ generation scheme for Gaussian random numbers is proposed using precomputed binary signatures. We designed custom transcendental functions that are fast and accurate for evaluating the pairwise interaction. The correctness and accuracy of the code is verified through a set of test cases ...

  18. Particle acceleration and dynamics of double-double radio galaxies: theory versus observations

    Science.gov (United States)

    Konar, C.; Hardcastle, M. J.

    2013-12-01

    In this paper, we show that a small sample of radio galaxies with evidence for multiple epochs of jet activity (so-called double-double radio galaxies) have the same electron injection spectral index in the two activity episodes, a result which might be considered surprising given the very different lobe dynamics expected in the first and second episode. We construct models for the dynamics of radio galaxies, with an emphasis on their episodic behaviour, and show that hotspot formation and confinement of lobes for the inner double of double-double radio galaxies are possible even without any thermal matter in the outer cocoon. We argue that (i) the observed similar injection spectral indices are due to similar jet powers in the two episodes, (ii) the `spectral index-radio power' correlation of a flux limited sample of radio galaxies is the primary one, and not the `spectral index-redshift correlation', (iii) jets are made of pair plasma and not electron-proton and (iv) the Lorentz factor of the spine of the jet should be ≳ 10 to explain the observations. Furthermore, we argue that the observations show that higher power radio galaxies do not have a higher jet bulk Lorentz factors, but instead simply have a higher number density of particles in the jet rest frame. A consequence of our models is that aligned double-double radio galaxies with very old ( ≳ 108 yr) outer doubles, or misaligned double-double radio galaxies, are statistically more likely to have dissimilar injection indices in two different episodes, as they will probably have different jet powers.

  19. The behavior of active diffusiophoretic suspensions: An accelerated Laplacian dynamics study

    Science.gov (United States)

    Yan, Wen; Brady, John F.

    2016-10-01

    Diffusiophoresis is the process by which a colloidal particle moves in response to the concentration gradient of a chemical solute. Chemically active particles generate solute concentration gradients via surface chemical reactions which can result in their own motion — the self-diffusiophoresis of Janus particles — and in the motion of other nearby particles — normal down-gradient diffusiophoresis. The long-range nature of the concentration disturbance created by a reactive particle results in strong interactions among particles and can lead to the formation of clusters and even coexisting dense and dilute regions often seen in active matter systems. In this work, we present a general method to determine the many-particle solute concentration field allowing the dynamic simulation of the motion of thousands of reactive particles. With the simulation method, we first clarify and demonstrate the notion of "chemical screening," whereby the long-ranged interactions become exponentially screened, which is essential for otherwise diffusiophoretic suspensions would be unconditionally unstable. Simulations show that uniformly reactive particles, which do not self-propel, form loosely packed clusters but no coexistence is observed. The simulations also reveal that there is a stability threshold — when the "chemical fuel" concentration is low enough, thermal Brownian motion is able to overcome diffusiophoretic attraction. Janus particles that self-propel show coexistence, but, interestingly, the stability threshold for clustering is not affected by the self-motion.

  20. GPU-accelerated molecular dynamics simulation for study of liquid crystalline flows

    Science.gov (United States)

    Sunarso, Alfeus; Tsuji, Tomohiro; Chono, Shigeomi

    2010-08-01

    We have developed a GPU-based molecular dynamics simulation for the study of flows of fluids with anisotropic molecules such as liquid crystals. An application of the simulation to the study of macroscopic flow (backflow) generation by molecular reorientation in a nematic liquid crystal under the application of an electric field is presented. The computations of intermolecular force and torque are parallelized on the GPU using the cell-list method, and an efficient algorithm to update the cell lists was proposed. Some important issues in the implementation of computations that involve a large number of arithmetic operations and data on the GPU that has limited high-speed memory resources are addressed extensively. Despite the relatively low GPU occupancy in the calculation of intermolecular force and torque, the computation on a recent GPU is about 50 times faster than that on a single core of a recent CPU, thus simulations involving a large number of molecules using a personal computer are possible. The GPU-based simulation should allow an extensive investigation of the molecular-level mechanisms underlying various macroscopic flow phenomena in fluids with anisotropic molecules.

  1. Monte Carlo simulation of the Varian Clinac 600C accelerator dynamic and physical wedges

    Energy Technology Data Exchange (ETDEWEB)

    Soares, S [Universidade da Beira Interior, Av. Marques d' Avila e Bolama, Covilha 6201-001 (Portugal); Chaves, A [Instituto Portugues de Oncologia Doutor Francisco Gentil (IPO), Av. Bissaya Barreto, Coimbra 3000-075 (Portugal); Peralta, L [Laboratorio de Instrumentacao e Fisica Experimental de PartIculas (LIP), Av. Elias Garcia no14 1o, Lisbon 1000-149 (Portugal); Lopes, Mc [Faculdade de Ciencias da Universidade de Lisboa, Campo Grande EdifIcio C5, Lisbon 1149-016 (Portugal)

    2007-06-15

    The present paper describes the study done on the dosimetric characteristics of the Varian Clinac 600C dynamic wedges (DW) and their comparison with the physical wedges (PW) in terms of the differences affecting the dose distributions, beam spectra, energy fluence and angular distributions. The geometry of the 4 MV photon beam and the dose distributions in a water phantom were simulated with GEANT3 and DPM Monte Carlo code systems. The DW was modelled through the constant movement of the upper jaws. The depth dose distributions and lateral profiles for the DW, PW and open fields were measured and compared with the Monte Carlo simulations and the global agreement was found to be within 3%. It was also found that the effects of a DW on beam spectral and angular distributions are much less significant than those produced by a PW. For example, in our study we found out that the 45{sup 0}PW, when compared with the corresponding open field, can introduce a 30% increase in the mean photon energy due to the beam hardening effect and that it can also introduce a 4.5% dose reduction in the build-up region because of the reduction of the contaminated electrons by the PW. For the DW neither this mean-energy increase nor such dose reduction was found. The PW, when compared to the DW, significantly alters the photon-beam spectrum and these dosimetric differences are significant and further investigation must be performed to quantify the impact in clinical use of these beams.

  2. Polymorphic ethyl alcohol as a model system for the quantitative study of glassy behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, H.E.; Schober, H.; Gonzalez, M.A. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France); Bermejo, F.J.; Fayos, R.; Dawidowski, J. [Consejo Superior de Investigaciones Cientificas, Madrid (Spain); Ramos, M.A.; Vieira, S. [Universidad Autonoma de Madrid (Spain)

    1997-04-01

    The nearly universal transport and dynamical properties of amorphous materials or glasses are investigated. Reasonably successful phenomenological models have been developed to account for these properties as well as the behaviour near the glass-transition, but quantitative microscopic models have had limited success. One hindrance to these investigations has been the lack of a material which exhibits glass-like properties in more than one phase at a given temperature. This report presents results of neutron-scattering experiments for one such material ordinary ethyl alcohol, which promises to be a model system for future investigations of glassy behaviour. (author). 8 refs.

  3. The dynamic balance of the children with cerebral palsy and typical developing during gait Part II: Instantaneous velocity and acceleration of COM and COP and their relationship.

    Science.gov (United States)

    Hsue, Bih-Jen; Miller, Freeman; Su, Fong-Chin

    2009-04-01

    As a companion research subsequent to analyzing displacement of center of mass (COM) and center of pressure (COP) in Part I, the purposes of this study were to quantify dynamic stability using magnitudes and patterns of instantaneous velocity and acceleration of COM and COP of the children with cerebral palsy (CP) during walking, and compare the data with those of the typically developing (TD) children. The instantaneous velocity and acceleration of COM and COP were acquired by calculating the first and second derivatives of displacement data presented in Part I. Velocity and acceleration of COM and COP were normalized by each participant's leg length to eliminate the influence of individual's stature. The results indicate that the preferred walking speed is significantly higher in TD groups than hemiplegic group (Hemi) and diplegic group (Di). The peak values of instantaneous velocity and acceleration of COM in vertical, medio-lateral (ML) and antero-posterior (AP) directions and velocity and acceleration of COP in ML direction were significantly higher in Di group than TD group. Both CP groups showed great variability in COM and COP parameters. Therefore, although Di group demonstrated higher peak values than Hemi group, the only significant difference between two groups was instantaneous COP velocity in ML direction. The findings of this study suggest that this assessment may be of value for research or clinical evaluation of dynamic balance dysfunction during walking and provide comparisons and insights for specific treatments or surgical interventions for the children with CP.

  4. FINAL REPORT DE-FG02-04ER41317 Advanced Computation and Chaotic Dynamics for Beams and Accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Cary, John R [U. Colorado

    2014-09-08

    During the year ending in August 2013, we continued to investigate the potential of photonic crystal (PhC) materials for acceleration purposes. We worked to characterize acceleration ability of simple PhC accelerator structures, as well as to characterize PhC materials to determine whether current fabrication techniques can meet the needs of future accelerating structures. We have also continued to design and optimize PhC accelerator structures, with the ultimate goal of finding a new kind of accelerator structure that could offer significant advantages over current RF acceleration technology. This design and optimization of these requires high performance computation, and we continue to work on methods to make such computation faster and more efficient.

  5. Accelerating dissipative particle dynamics simulations on GPUs: Algorithms, numerics and applications

    Science.gov (United States)

    Tang, Yu-Hang; Karniadakis, George Em

    2014-11-01

    We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores and almost linear weak scaling across a thousand nodes. A unified framework is developed within which the efficient generation of the neighbor list and maintaining particle data locality are addressed. Our algorithm generates strictly ordered neighbor lists in parallel, while the construction is deterministic and makes no use of atomic operations or sorting. Such neighbor list leads to optimal data loading efficiency when combined with a two-level particle reordering scheme. A faster in situ generation scheme for Gaussian random numbers is proposed using precomputed binary signatures. We designed custom transcendental functions that are fast and accurate for evaluating the pairwise interaction. The correctness and accuracy of the code is verified through a set of test cases simulating Poiseuille flow and spontaneous vesicle formation. Computer benchmarks demonstrate the speedup of our implementation over the CPU implementation as well as strong and weak scalability. A large-scale simulation of spontaneous vesicle formation consisting of 128 million particles was conducted to further illustrate the practicality of our code in real-world applications. Catalogue identifier: AETN_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AETN_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 1 602 716 No. of bytes in distributed program, including test data, etc.: 26 489 166 Distribution format: tar.gz Programming language: C/C++, CUDA C/C++, MPI. Computer: Any computers having nVidia GPGPUs with compute capability 3.0. Operating system: Linux. Has the code been

  6. Structural dynamics of the monoamine transporter homolog LeuT from accelerated conformational sampling and channel analysis.

    Science.gov (United States)

    Thomas, James R; Gedeon, Patrick C; Madura, Jeffry D

    2014-10-01

    The bacterial leucine transporter LeuT retains significant secondary structure similarities to the human monoamine transporters (MAT) such as the dopamine and serotonin reuptake proteins. The primary method of computational study of the MATs has been through the use of the crystallized LeuT structure. Different conformations of LeuT can give insight into mechanistic details of the MAT family. A conformational sampling performed through accelerated molecular dynamics simulations testing different combinations of the leucine substrate and bound sodium ions revealed seven distinct conformational clusters. Further analysis has been performed to target salt-bridge residues R30-D404, Y108-F253, and R5-D369 and transmembrane domains on both the seven isolated structures and the total trajectories. In addition, solvent accessibility of LeuT and its substrate binding pockets has been analyzed using a program for calculating channel radii. Occupation of the Na2 site stabilizes the outward conformation and should bind to the open outward conformation before the leucine and Na1 sodium while two possible pathways were found to be available for intracellular transport.

  7. Structural dynamics of the monoamine transporter homologue LeuT from accelerated conformational sampling and channel analysis

    Science.gov (United States)

    Thomas, James R.; Gedeon, Patrick C.; Madura, Jeffry D.

    2014-01-01

    The bacterial leucine transporter LeuT retains significant secondary structure similarities to the human monoamine transporters (MAT) such as the dopamine and serotonin reuptake proteins. The primary method of computational study of the MATs has been through the use of the crystallized LeuT structure. Different conformations of LeuT can give insight into mechanistic details of the MAT family. A conformational sampling performed through accelerated molecular dynamics (aMD) simulations testing different combinations of the leucine substrate and bound sodium ions revealed seven distinct conformational clusters. Further analysis has been performed to target salt-bridge residues R30–D404, Y108–F253, and R5–D369 and transmembrane domains on both the seven isolated structures and the total trajectories. In addition, solvent accessibility of LeuT and its substrate binding pockets has been analyzed using a program for calculating channel radii. Occupation of the Na2 site stabilizes the outward conformation and should bind to the open outward conformation before the leucine and Na1 sodium while two possible pathways were found to be available for intracellular transport. PMID:24753369

  8. Hubble Parameter Measurement Constraints on the Redshift of the Deceleration–Acceleration Transition, Dynamical Dark Energy, and Space Curvature

    Science.gov (United States)

    Farooq, Omer; Ranjeet Madiyar, Foram; Crandall, Sara; Ratra, Bharat

    2017-01-01

    We compile an updated list of 38 measurements of the Hubble parameter H(z) between redshifts 0.07 ≤ z ≤ 2.36 and use them to place constraints on model parameters of constant and time-varying dark energy cosmological models, both spatially flat and curved. We use five models to measure the redshift of the cosmological deceleration–acceleration transition, zda, from these H(z) data. Within the error bars, the measured zda are insensitive to the model used, depending only on the value assumed for the Hubble constant H0. The weighted mean of our measurements is zda = 0.72 ± 0.05 (0.84 ± 0.03) for H0 = 68 ± 2.8 (73.24 ± 1.74) km s‑1 Mpc‑1 and should provide a reasonably model-independent estimate of this cosmological parameter. The H(z) data are consistent with the standard spatially flat ΛCDM cosmological model but do not rule out nonflat models or dynamical dark energy models.

  9. Hubble parameter measurement constraints on the redshift of the deceleration-acceleration transition, dynamical dark energy, and space curvature

    CERN Document Server

    Farooq, Omer; Crandall, Sara; Ratra, Bharat

    2016-01-01

    We compile an updated list of 28 independent measurements of the Hubble parameter $H(z)$ between redshifts $0.1 \\leq z \\leq 2.36$ and use them to place constraints on model parameters of constant and time-varying dark energy cosmological models, both spatially flat and curved. We use five models to measure the redshift of the cosmological deceleration-acceleration transition, $z_{\\rm da}$, from these $H(z)$ data. Within the error bars, the measured $z_{\\rm da}$ are insensitive to the model used, depending only on the value assumed for the Hubble constant $H_0$. The weighted mean of our measurements is $z_{\\rm da} = 0.74 \\pm 0.06\\ (0.86 \\pm 0.04)$ for $H_0 = 68 \\pm 2.8\\ (73.8 \\pm 2.4)$ km s$^{-1}$ Mpc$^{-1}$ and should provide a reasonably model-independent estimate of this cosmological parameter. The $H(z)$ data are consistent with the standard spatially-flat $\\Lambda$CDM cosmological model but do not rule out non-flat models or dynamical dark energy models.

  10. Glassy crystalline state and water sorption of alkyl maltosides.

    Science.gov (United States)

    Kocherbitov, Vitaly; Söderman, Olle

    2004-04-13

    A differential scanning calorimetric and sorption calorimetric study of two alkyl maltosides, C8G2 and C10G2, was performed. In the dry state, C8G2 and C10G2 do not form solid crystals but undergo a glass transition upon temperature change. The glass is partly ordered and has the same lamellar structure as the liquid crystals formed by the two maltosides. To reflect the presence of the glass transition and the structure, the terms "glassy crystals" and "glassy liquid crystals" can be used. A mechanism of the relaxation of the glassy crystals based on the results of small-angle X-ray scattering experiments is proposed. Experiments on water sorption showed that the glassy crystals turn into lyotropic liquid crystals upon sorption of water at constant temperature. This isothermal glass transition can be characterized by water content and change of partial molar enthalpy of mixing of water. A method to calculate the phase diagram liquid crystals-glassy liquid crystals is proposed.

  11. Small-scale magnetic islands in the solar wind and their role in particle acceleration. Part 1: Dynamics of magnetic islands near the heliospheric current sheet

    CERN Document Server

    Khabarova, O; Li, G; Roux, J A le; Webb, G M; Dosch, A; Malandraki, O E

    2015-01-01

    Increases of ion fluxes in the keV-MeV range are sometimes observed near the heliospheric current sheet (HCS) during periods when other sources are absent. These resemble solar energetic particle (SEP) events, but the events are weaker and apparently local. Conventional explanations based on either shock acceleration of charged particles or particle acceleration due to magnetic reconnection at interplanetary current sheets are not persuasive. We suggest instead that recurrent magnetic reconnection occurs at the HCS and smaller current sheets in the solar wind (Zharkova & Khabarova 2012), of which a consequence is particle energization by the dynamically evolving secondary current sheets and magnetic islands (Zank et al. 2014; Drake et al. 2006a). The effectiveness of the trapping and acceleration process associated with magnetic islands depends in part on the topology of the HCS. We show that the HCS possesses ripples superimposed on the large-scale flat or wavy structure. We conjecture that the ripples c...

  12. A sigma-model approach to glassy dynamics

    Indian Academy of Sciences (India)

    Claudio Chamon; Leticia F Cugliandolo

    2005-06-01

    In this contribution we review recent progress in understanding fluctuations in the aging process of macroscopic systems, and we propose further tests of these ideas. We discuss how the emergence of a symmetry in aging systems, global time-reparametrization invariance, could be responsible for the observed `universal' behavior of local and mesoscopic non-equilibrium fluctuations. We discuss (i) the two-time scaling and functional form of the distribution of local correlations and responses; (ii) the scaling of multi-time correlations and susceptibilities; (iii) how the above can be derived from a random surface effective action; (iv) the behavior of a diverging two-time dependent correlation length; (v) how these ideas apply to off-lattice particle systems.

  13. Got a Match? Ion Extraction GC-MS Characterization of Accelerants Adsorbed in Charcoal Using Negative Pressure Dynamic Headspace Concentration

    Science.gov (United States)

    Anzivino, Barbara; Tilley, Leon J.; Ingalls, Laura R.; Hall, Adam B.; Drugan, John E.

    2009-01-01

    An undergraduate organic chemistry experiment demonstrating real-life application of GC-MS to arson accelerant identification is described. Students are given the task of comparing a sample recovered from a "crime scene" to that from a "suspect's clothing". Accelerants subjected to different conditions are recovered using a quick and simple…

  14. Identifying the Interaction of Vancomycin With Novel pH-Responsive Lipids as Antibacterial Biomaterials Via Accelerated Molecular Dynamics and Binding Free Energy Calculations.

    Science.gov (United States)

    Ahmed, Shaimaa; Vepuri, Suresh B; Jadhav, Mahantesh; Kalhapure, Rahul S; Govender, Thirumala

    2017-03-09

    Nano-drug delivery systems have proven to be an efficient formulation tool to overcome the challenges with current antibiotics therapy and resistance. A series of pH-responsive lipid molecules were designed and synthesized for future liposomal formulation as a nano-drug delivery system for vancomycin at the infection site. The structures of these lipids differ from each other in respect of hydrocarbon tails: Lipid1, 2, 3 and 4 have stearic, oleic, linoleic, and linolenic acid hydrocarbon chains, respectively. The impact of variation in the hydrocarbon chain in the lipid structure on drug encapsulation and release profile, as well as mode of drug interaction, was investigated using molecular modeling analyses. A wide range of computational tools, including accelerated molecular dynamics, normal molecular dynamics, binding free energy calculations and principle component analysis, were applied to provide comprehensive insight into the interaction landscape between vancomycin and the designed lipid molecules. Interestingly, both MM-GBSA and MM-PBSA binding affinity calculations using normal molecular dynamics and accelerated molecular dynamics trajectories showed a very consistent trend, where the order of binding affinity towards vancomycin was lipid4 > lipid1 > lipid2 > lipid3. From both normal molecular dynamics and accelerated molecular dynamics, the interaction of lipid3 with vancomycin is demonstrated to be the weakest (∆Gbinding = -2.17 and -11.57, for normal molecular dynamics and accelerated molecular dynamics, respectively) when compared to other complexes. We believe that the degree of unsaturation of the hydrocarbon chain in the lipid molecules may impact on the overall conformational behavior, interaction mode and encapsulation (wrapping) of the lipid molecules around the vancomycin molecule. This thorough computational analysis prior to the experimental investigation is a valuable approach to guide for predicting the encapsulation

  15. Field calculations, single-particle tracking, and beam dynamics with space charge in the electron lens for the Fermilab Integrable Optics Test Accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Noll, Daniel [Goethe Univ., Frankfurt (Germany); Stancari, Giulio [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States)

    2015-11-17

    An electron lens is planned for the Fermilab Integrable Optics Test Accelerator as a nonlinear element for integrable dynamics, as an electron cooler, and as an electron trap to study space-charge compensation in rings. We present the main design principles and constraints for nonlinear integrable optics. A magnetic configuration of the solenoids and of the toroidal section is laid out. Singleparticle tracking is used to optimize the electron path. Electron beam dynamics at high intensity is calculated with a particle-in-cell code to estimate current limits, profile distortions, and the effects on the circulating beam. In the conclusions, we summarize the main findings and list directions for further work.

  16. Advanced Simulation and Optimization Tools for Dynamic Aperture of Non-scaling FFAGs and Accelerators including Modern User Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Mills, F.; Makino, Kyoko; Berz, Martin; Johnstone, C.

    2010-09-01

    With the U.S. experimental effort in HEP largely located at laboratories supporting the operations of large, highly specialized accelerators, colliding beam facilities, and detector facilities, the understanding and prediction of high energy particle accelerators becomes critical to the success, overall, of the DOE HEP program. One area in which small businesses can contribute to the ongoing success of the U.S. program in HEP is through innovations in computer techniques and sophistication in the modeling of high-energy accelerators. Accelerator modeling at these facilities is performed by experts with the product generally highly specific and representative only of in-house accelerators or special-interest accelerator problems. Development of new types of accelerators like FFAGs with their wide choices of parameter modifications, complicated fields, and the simultaneous need to efficiently handle very large emittance beams requires the availability of new simulation environments to assure predictability in operation. In this, ease of use and interfaces are critical to realizing a successful model, or optimization of a new design or working parameters of machines. In Phase I, various core modules for the design and analysis of FFAGs were developed and Graphical User Interfaces (GUI) have been investigated instead of the more general yet less easily manageable console-type output COSY provides.

  17. Aryl Diazonium Chemistry for the Surface Functionalization of Glassy Biosensors.

    Science.gov (United States)

    Zheng, Wei; van den Hurk, Remko; Cao, Yong; Du, Rongbing; Sun, Xuejun; Wang, Yiyu; McDermott, Mark T; Evoy, Stephane

    2016-03-14

    Nanostring resonator and fiber-optics-based biosensors are of interest as they offer high sensitivity, real-time measurements and the ability to integrate with electronics. However, these devices are somewhat impaired by issues related to surface modification. Both nanostring resonators and photonic sensors employ glassy materials, which are incompatible with electrochemistry. A surface chemistry approach providing strong and stable adhesion to glassy surfaces is thus required. In this work, a diazonium salt induced aryl film grafting process is employed to modify a novel SiCN glassy material. Sandwich rabbit IgG binding assays are performed on the diazonium treated SiCN surfaces. Fluorescently labelled anti-rabbit IgG and anti-rabbit IgG conjugated gold nanoparticles were used as markers to demonstrate the absorption of anti-rabbit IgG and therefore verify the successful grafting of the aryl film. The results of the experiments support the effectiveness of diazonium chemistry for the surface functionalization of SiCN surfaces. This method is applicable to other types of glassy materials and potentially can be expanded to various nanomechanical and optical biosensors.

  18. Atmospheric pressure plasma treatment of glassy carbon for adhesion improvement

    DEFF Research Database (Denmark)

    Kusano, Yukihiro; Mortensen, Henrik Junge; Stenum, Bjarne

    2007-01-01

    Glassy carbon plates were treated with an atmospheric pressure dielectric barrier discharge (DBD). He gas, gas mixtures of He and reactive gases such as O2, CO2 and NH3, Ar gas and Ar/NH3 gas mixture were used as treatment gases. The oxygen and nitrogen contents on the surface as well as defect...

  19. Aryl Diazonium Chemistry for the Surface Functionalization of Glassy Biosensors

    Science.gov (United States)

    Zheng, Wei; van den Hurk, Remko; Cao, Yong; Du, Rongbing; Sun, Xuejun; Wang, Yiyu; McDermott, Mark T.; Evoy, Stephane

    2016-01-01

    Nanostring resonator and fiber-optics-based biosensors are of interest as they offer high sensitivity, real-time measurements and the ability to integrate with electronics. However, these devices are somewhat impaired by issues related to surface modification. Both nanostring resonators and photonic sensors employ glassy materials, which are incompatible with electrochemistry. A surface chemistry approach providing strong and stable adhesion to glassy surfaces is thus required. In this work, a diazonium salt induced aryl film grafting process is employed to modify a novel SiCN glassy material. Sandwich rabbit IgG binding assays are performed on the diazonium treated SiCN surfaces. Fluorescently labelled anti-rabbit IgG and anti-rabbit IgG conjugated gold nanoparticles were used as markers to demonstrate the absorption of anti-rabbit IgG and therefore verify the successful grafting of the aryl film. The results of the experiments support the effectiveness of diazonium chemistry for the surface functionalization of SiCN surfaces. This method is applicable to other types of glassy materials and potentially can be expanded to various nanomechanical and optical biosensors. PMID:26985910

  20. Playback interference of glassy-winged sharp shooter communication

    Science.gov (United States)

    Animal communication is vital to reproduction, particularly for securing a mate. Insects commonly communicate by exchanging vibrational signals that are transmitted through host plants. The glassy-winged sharpshooter (GWSS), Homalodisca vitripennis, is an important vector of Xylella fastidiosa, a pl...

  1. Glassy carbon supercapacitor: 100,000 cycles demonstrated

    Energy Technology Data Exchange (ETDEWEB)

    Baertsch, M.; Braun, A.; Schnyder, B.; Koetz, R. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    A 5 V glassy carbon capacitor stack was built consisting of four bipolar and two end-plate electrodes. More than 100,000 charging/discharging cycles were applied to test the stability of the double-layer capacitor. Low and high frequency resistances were measured as a function of the number of cycles. (author) 2 figs., 1 ref.

  2. Fixture Design Method for Multiaxial Dynamic Acceleration Test%多轴动态加速度试验夹具设计方法研究

    Institute of Scientific and Technical Information of China (English)

    欧阳智江; 张平; 邓志刚; 欧峰; 陆家富

    2015-01-01

    ABSTRACT:Objective To explore a new method for the fixture design suitable the test according to the characteristics of multiaxial dynamic acceleration test. Methods The traditional experiential design method and the new method were applied to the mechanic simulation analysis of the same simple model, and the differences in the results by the two methods were compared. Results In the process of multiaxial dynamic acceleration test, the new method could achieve more comprehensive results and guarantee the safety of the fixture, which was suitable for popularization and application. Conclusion There is a big difference between the multiaxial dynamic acceleration test and the traditional single static acceleration test, the whole process of the test should be concerned in the corresponding fixture design.%目的:针对多轴动态加速度试验的特点探索一种适合多轴动态加速度试验的夹具设计新方法。方法分别采用传统经验设计法和新方法对同一简单模型进行力学仿真分析,并进一步对比两种方法所得结果的差异。结果新方法所得结果更具全面性,在多轴动态加速度试验过程中更有利于保证夹具的安全性,适合推广应用。结论多轴动态加速度试验与传统的单一稳态加速度试验差异较大,在相应夹具设计时更应该注重试验的全过程。

  3. Beam Dynamics Studies and the Design, Fabrication and Testing of Superconducting Radiofrequency Cavity for High Intensity Proton Accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Saini, Arun [Univ. of Delhi, New Delhi (India)

    2012-03-01

    The application horizon of particle accelerators has been widening significantly in recent decades. Where large accelerators have traditionally been the tools of the trade for high-energy nuclear and particle physics, applications in the last decade have grown to include large-scale accelerators like synchrotron light sources and spallation neutron sources. Applications like generation of rare isotopes, transmutation of nuclear reactor waste, sub-critical nuclear power, generation of neutrino beams etc. are next area of investigation for accelerator scientific community all over the world. Such applications require high beam power in the range of few mega-watts (MW). One such high intensity proton beam facility is proposed at Fermilab, Batavia, US, named as Project-X. Project-X facility is based on H- linear accelerator (linac), which will operate in continuous wave (CW) mode and accelerate H- ion beam with average current of 1 mA from kinetic energy of 2.5 MeV to 3 GeV to deliver 3MW beam power. One of the most challenging tasks of the Project-X facility is to have a robust design of the CW linac which can provide high quality beam to several experiments simultaneously. Hence a careful design of linac is important to achieve this objective.

  4. Electron beam dynamics and self-cooling up to PeV level due to betatron radiation in plasma-based accelerators

    Science.gov (United States)

    Deng, Aihua; Nakajima, Kazuhisa; Liu, Jiansheng; Shen, Baifei; Zhang, Xiaomei; Yu, Yahong; Li, Wentao; Li, Ruxin; Xu, Zhizhan

    2012-08-01

    In plasma-based accelerators, electrons are accelerated by ultrahigh gradient of 1-100GV/m and undergo the focusing force with the same order as the accelerating force. Heated electrons are injected in a plasma wake and exhibit the betatron oscillation that generates synchrotron radiation. Intense betatron radiation from laser-plasma accelerators is attractive x-ray/gamma-ray sources, while it produces radiation loss and significant effects on energy spread and transverse emittance via the radiation reaction force. In this article, electron beam dynamics on transverse emittance and energy spread with considering radiation reaction effects are studied numerically. It is found that the emittance growth and the energy spread damping initially dominate and balance with radiative damping due to the betatron radiation. Afterward the emittance turns to decrease at a constant rate and leads to the equilibrium at a nanometer radian level with growth due to Coulomb scattering at PeV-level energies. A constant radiation loss rate RT=2/3 is found without regard to the electron beam and plasma conditions. Self-cooling of electron beams due to betatron radiation may guarantee TeV-range linear colliders and give hints on astrophysical ultrahigh-energy phenomena.

  5. Probing Properties of Glassy Water and Other Liquids with Site Selective Spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Dang, Nhan Chuong [Iowa State Univ., Ames, IA (United States)

    2005-01-01

    The standard non-photochemical hole burning (NPHB) mechanism, which involves phonon-assisted tunneling in the electronically excited state, was originally proposed to explain the light-induced frequency change of chemically stable molecules in glassy solids at liquid helium temperatures by this research group more than two decades ago. The NPHB mechanism was then further elucidated and the concept of intrinsic to glass configurational relaxation processes as pre-mediating step to the hole burning process was introduced. The latter provided the theoretical basis for NPHB to evolve into a powerful tool probing the dynamics and nature of amorphous media, which aside from ''simple'' inorganic glasses may include also ''complex'' biological systems such as living cells and cancerous/normal tissues. Presented in this dissertation are the experimental and theoretical results of hole burning properties of aluminum phthalocyanine tetrasulphonate (APT) in several different matrices: (1) hyperquenched glassy water (HGW); (2) cubic ice (Ic); and (3) water confined into poly(2-hydroxyethylmethacrylate) (poly-HEMA). In addition, results of photochemical hole burning (PHB) studies obtained for phthalocyanine tetrasulphonate (PcT) in HGW and free base phthalocyanine (Pc) in ortho-dichlorobenzene (DCB) glass are reported. The goal of this dissertation was to provide further evidence supporting the NPHB mechanism and to provide more insight that leads to a better understanding of the kinetic events (dynamics) in glasses, and various dynamical processes of different fluorescent chromorphores in various amorphous solids and the liquid that exist above the glass transition temperature (Tg). The following issues are addressed in detail: (1) time evolution of hole being burned under different conditions and in different hole burning systems; (2) temperature dependent hole profile; and (3) the structure/dynamics

  6. Effect of water polyamorphism on the molecular vibrations of glycerol in its glassy aqueous solutions.

    Science.gov (United States)

    Suzuki, Yoshiharu; Mishima, Osamu

    2016-07-14

    A glassy dilute glycerol-water solution undergoes a mutual polyamorphic transition relating to the transition between high- and low-density amorphous ices of solvent water. The polyamorphic transition behavior depends on the glycerol concentration, indicating that the glycerol affects the water polyamorphism. Here, we used the glassy dilute glycerol-water solution of the solute molar fraction of 0.07 and examined the effect of the polyamorphic change in solvent water on the molecular vibrations of glycerol via Raman spectroscopy. It is found that the molecular vibration of glycerol in high-density liquid like solvent water is different from that in the low-density liquid like solvent water and that the change in the molecular vibration of glycerol is synchronized with the polyamorphic transition of solvent water. The dynamical change of the solute molecule relates to the polyamorphic state of solvent water. This result suggests that the polyamorphic fluctuation of water structure emanated from the presumed liquid-liquid critical point plays an important role for the function of aqueous solution under an ambient condition such as the conformational stability of solute, the functional expression of solute, and so on.

  7. Effect of water polyamorphism on the molecular vibrations of glycerol in its glassy aqueous solutions

    Science.gov (United States)

    Suzuki, Yoshiharu; Mishima, Osamu

    2016-07-01

    A glassy dilute glycerol-water solution undergoes a mutual polyamorphic transition relating to the transition between high- and low-density amorphous ices of solvent water. The polyamorphic transition behavior depends on the glycerol concentration, indicating that the glycerol affects the water polyamorphism. Here, we used the glassy dilute glycerol-water solution of the solute molar fraction of 0.07 and examined the effect of the polyamorphic change in solvent water on the molecular vibrations of glycerol via Raman spectroscopy. It is found that the molecular vibration of glycerol in high-density liquid like solvent water is different from that in the low-density liquid like solvent water and that the change in the molecular vibration of glycerol is synchronized with the polyamorphic transition of solvent water. The dynamical change of the solute molecule relates to the polyamorphic state of solvent water. This result suggests that the polyamorphic fluctuation of water structure emanated from the presumed liquid-liquid critical point plays an important role for the function of aqueous solution under an ambient condition such as the conformational stability of solute, the functional expression of solute, and so on.

  8. Effect of entanglements on mechanical properties of glassy polymers

    Science.gov (United States)

    Hoy, Robert Scott

    Glass forming polymers are of great industrial importance and scientific interest because of their unique mechanical properties, which arise from the connectivity and random-walk-like structure of the constituent chains. In this thesis I study the relation of entanglements to the mechanical properties of model polymer glasses and brushes using molecular dynamics simulations. We perform extensive studies of glassy strain hardening, which stabilizes polymers against strain localization and fracture. Fundamental inconsistencies in existing entropic models of strain hardening imply that our understanding of its microscopic origins is far from complete. The dependence of stress on strain and entanglement density is consistent with experiment and entropic models. However, many of the assumptions of these models are totally inconsistent with our simulation results. The dependence on temperature, rate and interaction strength can be understood as reflecting changes in the plastic flow stress rather than a network entropy. A substantial energetic contribution to the stress rises rapidly as segments between entanglements are pulled taut. The thermal component of stress is less sensitive to entanglements, mostly irreversible, and directly related to the rate of local plastic arrangements. The deformation of the entanglement network is not affine to the macroscopic stretch. Entangled and unentangled chains show the same strain hardening when plotted against the microscopic chain orientation rather than the macroscopic strain. The entropic back stress responsible for shape recovery arises from chain orientation rather than entanglement. We also present some other results unrelated to strain hardening. We analyze the entanglement of polymer brushes embedded in long-chain melts and in implicit good and theta solvents. The melt-embedded brushes are more self-entangled than those in the solvents. The degree of self-entanglement of the brushes in the solvents follows a simple

  9. Lattice design and beam dynamics studies of the high energy beam transport line in the RAON heavy ion accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Hyunchang, E-mail: hcjin@ibs.re.kr; Jang, Ji-Ho; Jang, Hyojae; Jeon, Dong-O

    2015-12-01

    In RAON heavy ion accelerator, beams generated by superconducting electron cyclotron resonance ion source (ECR-IS) or Isotope Separation On-Line (ISOL) system are accelerated by lower energy superconducting linac and high energy superconducting linac. The accelerated beams are used in the high energy experimental hall which includes bio-medical and muon-SR facilities, after passing through the high energy beam transport lines. At the targets of those two facilities, the stable and small beams meeting the requirements rigorously are required in the transverse plane. Therefore the beams must be safely sent to the targets and simultaneously satisfy the two requirements, the achromatic condition and the mid-plane symmetric condition, of the targets. For this reason, the lattice design of the high energy beam transport lines in which the long deflecting sections are included is considered as a significant issue in the RAON accelerator. In this paper, we will describe the calculated beam optics satisfying the conditions and present the result of particle tracking simulations with the designed lattice of the high energy beam transport lines in the RAON accelerator. Also, the orbit distortion caused by the machine imperfections and the orbit correction with correctors will be discussed.

  10. The Accelerated Kepler Problem

    CERN Document Server

    Namouni, Fathi

    2007-01-01

    The accelerated Kepler problem is obtained by adding a constant acceleration to the classical two-body Kepler problem. This setting models the dynamics of a jet-sustaining accretion disk and its content of forming planets as the disk loses linear momentum through the asymmetric jet-counterjet system it powers. The dynamics of the accelerated Kepler problem is analyzed using physical as well as parabolic coordinates. The latter naturally separate the problem's Hamiltonian into two unidimensional Hamiltonians. In particular, we identify the origin of the secular resonance in the accelerated Kepler problem and determine analytically the radius of stability boundary of initially circular orbits that are of particular interest to the problem of radial migration in binary systems as well as to the truncation of accretion disks through stellar jet acceleration.

  11. Particle accelerator physics

    CERN Document Server

    Wiedemann, Helmut

    2007-01-01

    Particle Accelerator Physics is an in-depth and comprehensive introduction to the field of high-energy particle acceleration and beam dynamics. Part I gathers the basic tools, recalling the essentials of electrostatics and electrodynamics as well as of particle dynamics in electromagnetic fields. Part II is an extensive primer in beam dynamics, followed in Part III by the introduction and description of the main beam parameters. Part IV is devoted to the treatment of perturbations in beam dynamics. Part V discusses the details of charged particle accleration. Part VI and Part VII introduce the more advanced topics of coupled beam dynamics and the description of very intense beams. Part VIII is an exhaustive treatment of radiation from accelerated charges and introduces important sources of coherent radiation such as synchrotrons and free-electron lasers. Part IX collects the appendices gathering useful mathematical and physical formulae, parameters and units. Solutions to many end-of-chapter problems are give...

  12. Functionalization of glassy carbon with diazonium salts in ionic liquids.

    Science.gov (United States)

    Actis, Paolo; Caulliez, Guilain; Shul, Galyna; Opallo, Marcin; Mermoux, Michel; Marcus, Bernadette; Boukherroub, Rabah; Szunerits, Sabine

    2008-06-17

    The paper reports on the chemical functionalization of glassy carbon electrodes with 4-bromobenzene (4-BBDT) and 4-(4'-nitrophenylazo)benzene diazonium tetrafluoroborate (4-NAB) salts in ionic liquids. The reaction was carried out at room temperature in air without any external electrical bias in either hydrophobic (1-butyl-3-methylimidazolium hexafluorophosphate) or hydrophilic (1-butyl-3-methylimidazolium methyl sulfate) ionic liquids. The resulting surfaces were characterized using X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and electrochemical measurements. Electrochemical reduction of the terminal nitro groups allowed the determination of surface coverage and formation of an amine-terminated carbon surfaces. The results were compared to glassy carbon chemically modified in an aqueous solution in the presence of 1% sodium dodecyl sulfate (SDS) with the same diazonium salt. Furthermore, Raman spectroscopy coupled with electrochemical measurements allowed to distinguish between the reduction of -NO2 to -NH2 group and the -N=N- to -NH-NH- bond.

  13. 2H NMR studies of supercooled and glassy aspirin

    Science.gov (United States)

    Nath, R.; Nowaczyk, A.; Geil, B.; Bohmer, R.

    2007-11-01

    Acetyl salicylic acid, deuterated at the methyl group, was investigated using 2H-NMR in its supercooled and glassy states. Just above the glass transition temperature the molecular reorientations were studied using stimulated-echo spectroscopy and demonstrated a large degree of similarity with other glass formers. Deep in the glassy phase the NMR spectra look similar to those reported for the crystal [A. Detken, P. Focke, H. Zimmermann, U. Haeberlen, Z. Olejniczak, Z. T. Lalowicz, Z. Naturforsch. A 50 (1995) 95] and below 20 K they are indicative for rotational tunneling with a relatively large tunneling frequency. Measurements of the spin-lattice relaxation times for temperatures below 150 K reveal a broad distribution of correlation times in the glass. The dominant energy barrier characterizing the slow-down of the methyl group is significantly smaller than the well defined barrier in the crystal.

  14. Analysis of the dynamics of a nutating body. [numerical analysis of displacement, velocity, and acceleration of point on mechanical drives

    Science.gov (United States)

    Anderson, W. J.

    1974-01-01

    The equations for the displacement, velocity, and acceleration of a point in a nutating body are developed. These are used to derive equations for the inertial moment developed by a nutating body of arbitrary shape. Calculations made for a previously designed nutating plate transmission indicate that that device is severely speed limited because of the very high magnitude inertial moment.

  15. Effects of Glassy-Winged Sharpshooter (Hemiptera: Cicadellidae) Feeding, Size, and Lipid Content on Egg Maturation.

    Science.gov (United States)

    Sisterson, Mark S; Wallis, Christopher M; Stenger, Drake C

    2015-06-01

    The glassy-winged sharpshooter (Homalodisca vitripennis) is synovigenic and must feed as an adult to produce eggs. Egg maturation rates depend on the host plant species provided to the adult female for feeding and are variable for females provided with the same host plant species. Here, the contribution of female size and lipid content to variation in egg maturation rates among females held on the same host plant species was assessed. To assess effects of female size and lipid content on egg maturation, feeding assays followed by measurements of egg load, female size, and lipid content were conducted. To accomplish this, females were field collected and held on cowpea until producing approximately 0, 12, 25, or 50 ml of excreta. After reaching prescribed excreta thresholds, females were dissected to determine egg load, hind tibia length, and head capsule width. Mature eggs were removed from the abdomen and dry weight of eggs and bodies (head, thorax, and abdomen) were obtained. Lipid content of eggs and bodies were determined using a quantitative colorimetric assay. Rates of body weight gain and body lipid gain were rapid with low levels of feeding (12 ml of excreta) but decelerated with additional feeding (>12 ml of excreta). In contrast, low levels of feeding (12 ml of excreta) resulted in little egg production, with rates of egg production accelerating with additional feeding (>12 ml of excreta). Accordingly, egg production was preceded by an increase in body dry weight and body lipid content. In agreement, probability that a female carried eggs increased with body lipid content in the 0-, 12-, and 25-ml feeding treatments. Across treatments, larger females carried more eggs than smaller females. Collectively, results suggest that variation in glassy-winged sharpshooter egg maturation rates partially may be explained by availability of lipid reserves at the start of a feeding bout and female size.

  16. Voltammetric behaviour of oligonucleotide lipoplexes adsorbed onto glassy carbon electrodes

    OpenAIRE

    Piedade, J. A. P.; M. Mano; Lima, M. C. Pedroso de; Oretskaya, T S; Oliveira-Brett, A. M.

    2004-01-01

    The voltammetric behaviour of oligonucleotide lipoplexes (ODN-lipoplexes) prepared from short oligodeoxynucleotides (ODN), with different base compositions, and liposomes of the cationic lipid DOTAP, was studied by differential pulse voltammetry with a glassy carbon mini-electrode. It was found that the ODN base composition influences the ODN-lipoplex voltammetric response. Differential pulse voltammograms for ODN-lipoplexes of the ODN adenosine nucleotides present two different features when...

  17. Crystallization kinetics in glassy GexSe100 - x

    OpenAIRE

    Goel, S.; Tripathi, S.K.; Kumar, A

    1990-01-01

    Crystallization kinetics of glassy GexSe100 - x system is studied using isothermal technique, i.e., by studying amorphous to crystalline transformation during isothermal annealing at various temperatures between glass transition and melting temperature. DC conductivity is taken a characteristic quantity to measure the extent of crystallization during crystallization process. To calculate the activation energy of crystallization and the order parameter, the data is fitted to the Avrami's equat...

  18. Development of PUNDA (Parametric Universal Nonlinear Dynamics Approximator) Models for Self-Validating Knowledge-Guided Modelling of Nonlinear Processes in Particle Accelerators \\& Industry

    Energy Technology Data Exchange (ETDEWEB)

    Sayyar-Rodsari, Bijan; Schweiger, Carl; Hartman, Eric

    2007-10-07

    The difficult problems being tackled in the accelerator community are those that are nonlinear, substantially unmodeled, and vary over time. Such problems are ideal candidates for model-based optimization and control if representative models of the problem can be developed that capture the necessary mathematical relations and remain valid throughout the operation region of the system, and through variations in system dynamics. The goal of this proposal is to develop the methodology and the algorithms for building high-fidelity mathematical representations of complex nonlinear systems via constrained training of combined first-principles and neural network models.

  19. Simulation of Electron Beam Dynamics in the 22 MeV Accelerator for a Coherent Electron Cooling Proof of Principle Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Owen, Justin [Stony Brook Univ., NY (United States)

    2013-12-01

    Coherent electron cooling (CeC) offers a potential new method of cooling hadron beams in colliders such as the Relativistic Heavy Ion Collider (RHIC) or the future electron ion collider eRHIC. A 22 MeV linear accelerator is currently being built as part of a proof of principle experiment for CeC at Brookhaven National Laboratory (BNL). In this thesis we present a simulation of electron beam dynamics including space charge in the 22 MeV CeC proof of principle experiment using the program ASTRA (A Space charge TRacking Algorithm).

  20. Exploration for facultative endosymbionts of glassy-wingedsharpshooter (Hemiptera: Cicadellidae)

    Energy Technology Data Exchange (ETDEWEB)

    Montllor-Curley, C.; Brodie, E.L.; Lechner, M.G.; Purcell, A.H.

    2006-07-01

    Homalodisca vitripennis (Germar) (Hemiptera: Cicadellidae),glassy-winged sharpshooter, was collected in California and severalstates in the southeastern United States in 2002 and 2003 and analyzedfor endosymbiotic bacteria. Hemolymph, eggs, and bacteriomes wereexamined for the presence of bacteria by polymerase chain reaction. Asubset of hemolymph and egg samples had their 16S rRNA gene ampliconscloned and sequenced or analyzed by restriction digest patterns ofsamples compared with known bacterial DNA. Baumannia cicadellinicola, oneof the primary symbionts of glassy-winged sharpshooter, was found in themajority of hemolymph samples, although it has been considered until nowto reside primarily inside the specialized host bacteriocytes. Wolbachiasp., a common secondary symbiont in many insect taxa investigated todate, was the second most frequently detected bacterium in hemolymphsamples. In addition, we detected bacteria that were most closely related(by 16S rRNA gene sequence) to Pseudomonas, Stenotrophomonas, andAcinetobacter in hemolymph samples of one and/or two glassy-wingedsharpshooters, but their origin is uncertain.

  1. Fast algorithms for glassy materials: methods and explorations

    Science.gov (United States)

    Middleton, A. Alan

    2014-03-01

    Glassy materials with frozen disorder, including random magnets such as spin glasses and interfaces in disordered materials, exhibit striking non-equilibrium behavior such as the ability to store a history of external parameters (memory). Precisely due to their glassy nature, direct simulation of models of these materials is very slow. In some fortunate cases, however, algorithms exist that exactly compute thermodynamic quantities. Such cases include spin glasses in two dimensions and interfaces and random field magnets in arbitrary dimensions at zero temperature. Using algorithms built using ideas developed by computer scientists and mathematicians, one can even directly sample equilibrium configurations in very large systems, as if one picked the configurations out of a ``hat'' of all configurations weighted by their Boltzmann factors. This talk will provide some of the background for these methods and discuss the connections between physics and computer science, as used by a number of groups. Recent applications of these methods to investigating phase transitions in glassy materials and to answering qualitative questions about the free energy landscape and memory effects will be discussed. This work was supported in part by NSF grant DMR-1006731. Creighton Thomas and David Huse also contributed to much of the work to be presented.

  2. Liquid and Glassy Water: Two Materials of Interdisciplinary Interest

    Science.gov (United States)

    Eugene Stanley, H.

    We can superheat water above its boiling temperature and supercool it below its freezing temperature, down to approximately — 40°C, below which water inevitably crystallizes. In this deeply supercooled region, strange things happen: response functions and transport functions appear as if they might diverge to infinity at a temperature of about-45 °C. These experiments were pioneered by Angell and co-workers over the past 30 years [1-4]. Down in the glassy region of water, additional strange things happen, e.g., there is not just one glassy phase [1]. Rather, just as there is more than one polymorph of crystalline water, so also there appears to be more than one polyamorph of glassy water. The first clear indication of this was a discovery of Mishima in 1985: at low pressure there is one form, called low-density amorphous (LDA) ice [5], while at high pressure Mishima discovered a new form, called highdensity amorphous (HDA) ice [6]. The volume discontinuity separating these two phases is comparable to the volume discontinuity separating low-density and high-density polymorphs of crystalline ice, 25-35 percent [7, 8].

  3. Quantifying glassy and crystalline basalt partitioning in the oceanic crust

    Science.gov (United States)

    Moore, Rachael; Ménez, Bénédicte

    2016-04-01

    The upper layers of the oceanic crust are predominately basaltic rock, some of which hosts microbial life. Current studies of microbial life within the ocean crust mainly focus on the sedimentary rock fraction, or those organisms found within glassy basalts while the potential habitability of crystalline basalts are poorly explored. Recently, there has been recognition that microbial life develops within fractures and grain boundaries of crystalline basalts, therefore estimations of total biomass within the oceanic crust may be largely under evaluated. A deeper understanding of the bulk composition and fractionation of rocks within the oceanic crust is required before more accurate estimations of biomass can be made. To augment our understanding of glassy and crystalline basalts within the oceanic crust we created two end-member models describing basalt fractionation: a pillow basalt with massive, or sheet, flows crust and a pillow basalt with sheeted dike crust. Using known measurements of massive flow thickness, dike thickness, chilled margin thickness, pillow lava size, and pillow lava glass thickness, we have calculated the percentage of glassy versus crystalline basalts within the oceanic crust for each model. These models aid our understanding of textural fractionation within the oceanic crust, and can be applied with bioenergetics models to better constrain deep biomass estimates.

  4. Surface characterization of silver and palladium modified glassy carbon

    Indian Academy of Sciences (India)

    Aleksandra A Perić-Grujić; Olivera M Nešković; Miomir V Veljković; Zoran V Laušević; Mila D Laušević

    2007-12-01

    In this work, the influence of silver and palladium on the surface of undoped, boron doped and phosphorus doped glassy carbon has been studied. The silver and palladium concentrations in solution, after metal deposition, were measured by atomic absorption spectrophotometer. The morphology of metal coatings was characterized by scanning electron microscopy. In order to investigate the nature and thermal stability of surface oxygen groups, temperature-programmed desorption method combined with mass spectrometric analyses, was performed. The results obtained have shown that silver and palladium spontaneously deposit from their salt solutions at the surface of glassy carbon samples. Silver deposits have dendrite structure, whilst palladium forms separate clusters. The highest amount of both silver and palladium deposits at the surface of sample containing the highest quantity of surface oxide complexes. It has been concluded that carboxyl groups and structure defects are responsible for metal reduction. Calculated desorption energies have shown that the surface modification by metal deposition leads to the formation of more stable surface of undoped and doped glassy carbon samples.

  5. Graphene quantum dot modified glassy carbon electrode for the determination of doxorubicin hydrochloride in human plasma$

    Institute of Scientific and Technical Information of China (English)

    Nastaran Hashemzadeh; Mohammad Hasanzadeh; Nasrin Shadjou; Jamal Eivazi-Ziaei; Maryam Khoubnasabjafari; Abolghasem Jouyban

    2016-01-01

    Low toxic graphene quantum dot (GQD) was synthesized by pyrolyzing citric acid in alkaline solution and characterized by ultraviolet–visible (UV–vis) spectroscopy, X-ray diffraction (XRD), atomic force micro-scopy (AFM), spectrofluorimetery and dynamic light scattering (DLS) techniques. GQD was used for electrode modification and electro-oxidation of doxorubicin (DOX) at low potential. A substantial de-crease in the overvoltage ( ? 0.56 V) of the DOX oxidation reaction (compared to ordinary electrodes) was observed using GQD as coating of glassy carbon electrode (GCE). Differential pulse voltammetry was used to evaluate the analytical performance of DOX in the presence of phosphate buffer solution (pH 4.0) and good limit of detection was obtained by the proposed sensor. Such ability of GQD to promote the DOX electron-transfer reaction suggests great promise for its application as an electrochemical sensor.

  6. Graphene quantum dot modified glassy carbon electrode for the determination of doxorubicin hydrochloride in human plasma

    Directory of Open Access Journals (Sweden)

    Nastaran Hashemzadeh

    2016-08-01

    Full Text Available Low toxic graphene quantum dot (GQD was synthesized by pyrolyzing citric acid in alkaline solution and characterized by ultraviolet--visible (UV–vis spectroscopy, X-ray diffraction (XRD, atomic force microscopy (AFM, spectrofluorimetery and dynamic light scattering (DLS techniques. GQD was used for electrode modification and electro-oxidation of doxorubicin (DOX at low potential. A substantial decrease in the overvoltage (−0.56 V of the DOX oxidation reaction (compared to ordinary electrodes was observed using GQD as coating of glassy carbon electrode (GCE. Differential pulse voltammetry was used to evaluate the analytical performance of DOX in the presence of phosphate buffer solution (pH 4.0 and good limit of detection was obtained by the proposed sensor. Such ability of GQD to promote the DOX electron-transfer reaction suggests great promise for its application as an electrochemical sensor.

  7. Mechanochemical investigation of a glassy epoxy-amine thermoset subjected to fatigue

    Science.gov (United States)

    Foster, Stephen Finley

    Covalent bonds in organic molecules can be produced, altered, and broken through various sources of energy and processes. These include photochemical, thermochemical, chemical, and mechanochemical processes. Polymeric materials derive their physical properties from the time scale of motion, summation of intermolecular forces, and number of chain entanglements and crosslinks. Glassy thermoset polymers experience mechanical fatigue during dynamic stress loading and properties diminish with inevitable material failure at stress levels below the ultimate tensile strength (UTS). Damage modeling has been successful in predicting the number of cycles required to induce failure in a specimen due to stress. However, it does not directly provide an explanation of the origin of fatigue in polymers. It is hypothesized herein that mechanical failure at stress levels below the ultimate strength property is due to the accumulation of mechanically induced homolytic chain scission events throughout the glassy thermoset network. The goal of this research will be to quantify homolytic chain scission events with fatigue cycles with the ultimate goal of correlating mechanical property loss with degradation of covalent network structure. To accomplish this goal, stable free nitroxyl radicals were incorporated into an epoxy-amine matrix to detect homolytic chain scission resulting from fatigue. Chapter II discusses a successful synthesis and characterization of the nitroxyl radical molecule, a product of 4-hydroxy-2,2,5,5-tetramethylpiperdin-1-yl-oxyl (TEMPO) and isophorone diisocyanate designated as BT-IPDI. In Chapter III, the epoxy-amine reaction was determined to be unaffected by incorporation of up to 5 wt% of BT-IPDI. Although 50% UTS fatigue studies produced property degradation and fatigue failure as shown in Chapter IV, analysis of BT-IPDI through EPR did not detect homolytic chain scission. Chapter V reveals that mechano-radicals were produced from cryo-grinding the glassy

  8. Plasma accelerator experiments in Yugoslavia

    Science.gov (United States)

    Purić, J.; Astashynski, V. M.; Kuraica, M. M.; Dojčinovié, I. P.

    2002-12-01

    An overview is given of the results obtained in the Plasma Accelerator Experiments in Belgrade, using quasi-stationary high current plasma accelerators constructed within the framework of the Yugoslavia-Belarus Joint Project. So far, the following plasma accelerators have been realized: Magnetoplasma Compressor type (MPC); MPC Yu type; one stage Erosive Plasma Dynamic System (EPDS) and, in final stage of construction two stage Quasi-Stationary High Current Plasma Accelerator (QHPA).

  9. Field calculations, single-particle tracking, and beam dynamics with space charge in the electron lens for the Fermilab Integrable Optics Test Accelerator

    CERN Document Server

    Noll, Daniel

    2015-01-01

    An electron lens is planned for the Fermilab Integrable Optics Test Accelerator as a nonlinear element for integrable dynamics, as an electron cooler, and as an electron trap to study space-charge compensation in rings. We present the main design principles and constraints for nonlinear integrable optics. A magnetic configuration of the solenoids and of the toroidal section is laid out. Single-particle tracking is used to optimize the electron path. Electron beam dynamics at high intensity is calculated with a particle-in-cell code to estimate current limits, profile distortions, and the effects on the circulating beam. In the conclusions, we summarize the main findings and list directions for further work.

  10. Flocculant in wastewater affects dynamics of inorganic N and accelerates removal of phenanthrene and anthracene in soil.

    Science.gov (United States)

    Fernandez-Luqueno, F; Thalasso, F; Luna-Guido, M L; Ceballos-Ramírez, J M; Ordoñez-Ruiz, I M; Dendooven, L

    2009-06-01

    Recycling of municipal wastewater requires treatment with flocculants, such as polyacrylamide. It is unknown how polyacrylamide in sludge affects removal of polycyclic aromatic hydrocarbons (PAH) from soil. An alkaline-saline soil and an agricultural soil were contaminated with phenanthrene and anthracene. Sludge with or without polyacrylamide was added while emission of CO(2) and concentrations of NH(4)(+), NO(3)(-), NO(2)(-), phenanthrene and anthracene were monitored in an aerobic incubation experiment. Polyacrylamide in the sludge had no effect on the production of CO(2), but it reduced the concentration of NH(4)(+), increased the concentration of NO(3)(-) in the Acolman soil and NO(2)(-) in the Texcoco soil, and increased N mineralization compared to the soil amended with sludge without polyacrylamide. After 112d, polyacrylamide accelerated the removal of anthracene from both soils and that of phenanthrene in the Acolman soil. It was found that polyacrylamide accelerated removal of phenanthrene and anthracene from soil.

  11. Computations of longitudinal electron dynamics in the recirculating cw RF accelerator-recuperator for the high average power FEL

    Science.gov (United States)

    Sokolov, A. S.; Vinokurov, N. A.

    1994-03-01

    The use of optimal longitudinal phase-energy motion conditions for bunched electrons in a recirculating RF accelerator gives the possibility to increase the final electron peak current and, correspondingly, the FEL gain. The computer code RECFEL, developed for simulations of the longitudinal compression of electron bunches with high average current, essentially loading the cw RF cavities of the recirculator-recuperator, is briefly described and illustrated by some computational results.

  12. VP40 of the Ebola Virus as a Target for EboV Therapy: Comprehensive Conformational and Inhibitor Binding Landscape from Accelerated Molecular Dynamics.

    Science.gov (United States)

    Balmith, Marissa; Soliman, Mahmoud E S

    2017-03-01

    The first account of the dynamic features of the loop region of VP40 of the Ebola virus was studied using accelerated molecular dynamics simulations and reported herein. Among the proteins of the Ebola virus, the matrix protein (VP40) plays a significant role in the virus lifecycle thereby making it a promising therapeutic target. Of interest is the newly elucidated N-terminal domain loop region of VP40 comprising residues K127, T129, and N130 which when mutated to alanine have demonstrated an unrecognized role for N-terminal domain-plasma membrane interaction for efficient VP40-plasma membrane localization, oligomerization, matrix assembly, and egress. The molecular understanding of the conformational features of VP40 in complex with a known inhibitor still remains elusive. Using accelerated molecular dynamics approaches, we conducted a comparative study on VP40 apo and bound systems to understand the conformational features of VP40 at the molecular level and to determine the effect of inhibitor binding with the aid of a number of post-dynamic analytical tools. Significant features were seen in the presence of an inhibitor as per molecular mechanics/generalized born surface area binding free energy calculations. Results revealed that inhibitor binding to VP40 reduces the flexibility and mobility of the protein as supported by root mean square fluctuation and root mean square deviation calculations. The study revealed a characteristic "twisting" motion and coiling of the loop region of VP40 accompanied by conformational changes in the dimer interface upon inhibitor binding. We believe that results presented in this study will ultimately provide useful insight into the binding landscape of VP40 which could assist researchers in the discovery of potent Ebola virus inhibitors for anti-Ebola therapies.

  13. 耗散粒子动力学图像处理器并行运算的实现%GPU-accelerated dissipative particle dynamics simulations

    Institute of Scientific and Technical Information of China (English)

    刘俊骅; 郭坤琨; 陈安琪; 马瑶

    2014-01-01

    计算机模拟的时空尺度限制了它的进一步应用和发展,而高性能图像处理器( GPU)得以充分利用的现实将会使计算机模拟突破该限制。为此使用图像处理器实现耗散粒子动力学( DPD)模拟方法的并行运算。通过模拟结果发现图像处理器的并行运算将会大幅度提高计算效率。为了检验自编的代码,研究了并行运算模拟中压力和体系密度的关系,二元共混体中Flory-Huggins参数、保守力参数和链长之间的关系,模拟结果和以前的报道一致。%Due to the limitation of spatial and temporal scales, computer simulations have significant barriers to their further applications and developments. However, computer simulations would break through the limitations because the further acceleration is possible through the advanced computer hardware of Graphic Processing Units ( GPU ) , which is the high performance computer processor designed to accelerate graphical applications. In this study, dissipative particle dynamics simulation was accelerated by GPUs. The simulation results show that a single GPU can give performance competitive with a much more expensive CPU cluster. To verify the GPU-accelerated code, the relation of pressure and destiny, and of the Flory-Huggins parameter, the parameter of the conservative force and polymer length in the simulations were discussed and compared with the previous publications.

  14. Evidence for the absence of enzymatic reactions in the glassy state. A case study of xanthophyll cycle pigments in the desiccation-tolerant moss Syntrichia ruralis

    Science.gov (United States)

    Fernández-Marín, Beatriz; Kranner, Ilse; Sebastián, María San; Artetxe, Unai; Laza, José Manuel; Vilas, José Luis; Pritchard, Hugh W.; Nadajaran, Jayanthi; Míguez, Fátima; Becerril, José María; García-Plazaola, José Ignacio

    2013-01-01

    Desiccation-tolerant plants are able to withstand dehydration and resume normal metabolic functions upon rehydration. These plants can be dehydrated until their cytoplasm enters a ‘glassy state’ in which molecular mobility is severely reduced. In desiccation-tolerant seeds, longevity can be enhanced by drying and lowering storage temperature. In these conditions, they still deteriorate slowly, but it is not known if deteriorative processes include enzyme activity. The storage stability of photosynthetic organisms is less studied, and no reports are available on the glassy state in photosynthetic tissues. Here, the desiccation-tolerant moss Syntrichia ruralis was dehydrated at either 75% or <5% relative humidity, resulting in slow (SD) or rapid desiccation (RD), respectively, and different residual water content of the desiccated tissues. The molecular mobility within dry mosses was assessed through dynamic mechanical thermal analysis, showing that at room temperature only rapidly desiccated samples entered the glassy state, whereas slowly desiccated samples were in a ‘rubbery’ state. Violaxanthin cycle activity, accumulation of plastoglobules, and reorganization of thylakoids were observed upon SD, but not upon RD. Violaxanthin cycle activity critically depends on the activity of violaxanthin de-epoxidase (VDE). Hence, it is proposed that enzymatic activity occurred in the rubbery state (after SD), and that in the glassy state (after RD) no VDE activity was possible. Furthermore, evidence is provided that zeaxanthin has some role in recovery apparently independent of its role in non-photochemical quenching of chlorophyll fluorescence. PMID:23761488

  15. Evidence for the absence of enzymatic reactions in the glassy state. A case study of xanthophyll cycle pigments in the desiccation-tolerant moss Syntrichia ruralis.

    Science.gov (United States)

    Fernández-Marín, Beatriz; Kranner, Ilse; San Sebastián, María; Artetxe, Unai; Laza, José Manuel; Vilas, José Luis; Pritchard, Hugh W; Nadajaran, Jayanthi; Míguez, Fátima; Becerril, José María; García-Plazaola, José Ignacio

    2013-07-01

    Desiccation-tolerant plants are able to withstand dehydration and resume normal metabolic functions upon rehydration. These plants can be dehydrated until their cytoplasm enters a 'glassy state' in which molecular mobility is severely reduced. In desiccation-tolerant seeds, longevity can be enhanced by drying and lowering storage temperature. In these conditions, they still deteriorate slowly, but it is not known if deteriorative processes include enzyme activity. The storage stability of photosynthetic organisms is less studied, and no reports are available on the glassy state in photosynthetic tissues. Here, the desiccation-tolerant moss Syntrichia ruralis was dehydrated at either 75% or <5% relative humidity, resulting in slow (SD) or rapid desiccation (RD), respectively, and different residual water content of the desiccated tissues. The molecular mobility within dry mosses was assessed through dynamic mechanical thermal analysis, showing that at room temperature only rapidly desiccated samples entered the glassy state, whereas slowly desiccated samples were in a 'rubbery' state. Violaxanthin cycle activity, accumulation of plastoglobules, and reorganization of thylakoids were observed upon SD, but not upon RD. Violaxanthin cycle activity critically depends on the activity of violaxanthin de-epoxidase (VDE). Hence, it is proposed that enzymatic activity occurred in the rubbery state (after SD), and that in the glassy state (after RD) no VDE activity was possible. Furthermore, evidence is provided that zeaxanthin has some role in recovery apparently independent of its role in non-photochemical quenching of chlorophyll fluorescence.

  16. Development and application of compact and on-chip electron linear accelerators for dynamic tracking cancer therapy and DNA damage/repair analysis

    Science.gov (United States)

    Uesaka, M.; Demachi, K.; Fujiwara, T.; Dobashi, K.; Fujisawa, H.; Chhatkuli, R. B.; Tsuda, A.; Tanaka, S.; Matsumura, Y.; Otsuki, S.; Kusano, J.; Yamamoto, M.; Nakamura, N.; Tanabe, E.; Koyama, K.; Yoshida, M.; Fujimori, R.; Yasui, A.

    2015-06-01

    We are developing compact electron linear accelerators (hereafter linac) with high RF (Radio Frequency) frequency (9.3 GHz, wavelength 32.3 mm) of X-band and applying to medicine and non-destructive testing. Especially, potable 950 keV and 3.95 MeV linac X-ray sources have been developed for on-site transmission testing at several industrial plants and civil infrastructures including bridges. 6 MeV linac have been made for pinpoint X-ray dynamic tracking cancer therapy. The length of the accelerating tube is ∼600 mm. The electron beam size at the X-ray target is less than 1 mm and X-ray spot size at the cancer is less than 3 mm. Several hardware and software are under construction for dynamic tracking therapy for moving lung cancer. Moreover, as an ultimate compact linac, we are designing and manufacturing a laser dielectric linac of ∼1 MeV with Yr fiber laser (283 THz, wavelength 1.06 pm). Since the wavelength is 1.06 μm, the length of one accelerating strcture is tens pm and the electron beam size is in sub-micro meter. Since the sizes of cell and nuclear are about 10 and 1 μm, respectively, we plan to use this “On-chip” linac for radiation-induced DNA damage/repair analysis. We are thinking a system where DNA in a nucleus of cell is hit by ∼1 μm electron or X-ray beam and observe its repair by proteins and enzymes in live cells in-situ.

  17. Future accelerators (?)

    Energy Technology Data Exchange (ETDEWEB)

    John Womersley

    2003-08-21

    I describe the future accelerator facilities that are currently foreseen for electroweak scale physics, neutrino physics, and nuclear structure. I will explore the physics justification for these machines, and suggest how the case for future accelerators can be made.

  18. Nonrelativistic Perpendicular Shocks Modeling Young Supernova Remnants: Nonstationary Dynamics and Particle Acceleration at Forward and Reverse Shocks

    Science.gov (United States)

    Wieland, Volkmar; Pohl, Martin; Niemiec, Jacek; Rafighi, Iman; Nishikawa, Ken-Ichi

    2016-03-01

    For parameters that are applicable to the conditions at young supernova remnants, we present results of two-dimensional, three-vector (2D3V) particle-in-cell simulations of a non-relativistic plasma shock with a large-scale perpendicular magnetic field inclined at a 45^\\circ angle to the simulation plane to approximate three-dimensional (3D) physics. We developed an improved clean setup that uses the collision of two plasma slabs with different densities and velocities, leading to the development of two distinctive shocks and a contact discontinuity. The shock formation is mediated by Weibel-type filamentation instabilities that generate magnetic turbulence. Cyclic reformation is observed in both shocks with similar period, for which we note global variations due to shock rippling and local variations arising from turbulent current filaments. The shock rippling occurs on spatial and temporal scales produced by the gyro-motions of shock-reflected ions. The drift motion of electrons and ions is not a gradient drift, but is commensurate with {\\boldsymbol{E}}× {\\boldsymbol{B}} drift. We observe a stable supra-thermal tail in the ion spectra, but no electron acceleration because the amplitude of the Buneman modes in the shock foot is insufficient for trapping relativistic electrons. We see no evidence of turbulent reconnection. A comparison with other two-dimensional (2D) simulation results suggests that the plasma beta and the ion-to-electron mass ratio are not decisive for efficient electron acceleration, but the pre-acceleration efficacy might be reduced with respect to the 2D results once 3D effects are fully accounted for. Other microphysical factors may also play a part in limiting the amplitude of the Buneman waves or preventing the return of electrons to the foot region.

  19. Synthesis of Ultradisperse Carbon Dioxide Powder with Plasma-Dynamic Method in the Coaxial Magneto-Plasma Accelerator

    Directory of Open Access Journals (Sweden)

    Golyanskaya Evgeniya. O.

    2016-01-01

    Full Text Available One of the most promising trends in modern physics is the high-temperature superconductivity. Analysis of high-temperature superconductors revealed that almost all of them are complex copper-based oxides. Studies have shown the possibility of using them for the synthesis of coaxial magneto accelerator. Studies have identified the products synthesized soot: Cu, Cu2O, CuO, their shape and size. Also been deciphered and electron microscopy confirmed the composition of the nanopowder obtained in laboratory conditions.

  20. Dielectric relaxation and the conformer equilibrium in the liquid and glassy states of β- D-fructose

    Science.gov (United States)

    Tombari, E.; Cardelli, C.; Salvetti, G.; Johari, G. P.

    2001-01-01

    To investigate the ionic and molecular dynamics in the liquid and glassy states of β- D-fructose, its dielectric relaxation spectra (12 Hz-500 kHz) and dynamic heat capacity (3.33 mHz) have been measured from 5 K above its melting point through the vitrification range, by allowing sufficient time for attainment of the conformer (or chemical) equilibria. Effects of the change in the conformer population on thermal cycling has been further studied. The dielectric behavior of liquid β- D-fructose is characteristically different from that of other molecular liquids in three ways: (i) the contribution to orientation polarization associated with the fast relaxation process, which persists in the glassy state, is relatively high in the liquid state of β- D-fructose; (ii) this contribution decreases with temperature exceptionally rapidly on cooling; and (iii) the difference in the rates of the two process is exceptionally large. The dynamic heat capacity change through the vitrification region is ˜160 J/(mol K), and is spread over ˜20 K range, and the enthalpy relaxation time is ˜50 s at 383 K. Transformation of β-pyranose to other conformers and other conformer transformation equilibria change on thermal cycling with the result that the overall relaxation rate increases at T>315 K and decreases at T<315 K. The relaxation spectrum becomes broader, the dc conductivity increases and the rate of the Johari-Goldstein relaxation whose Arrhenius energy is 42.1 kJ/mol increases.

  1. Uncovering Single-Molecule Photophysical Heterogeneity of Bright, Thermally Activated Delayed Fluorescence Emitters Dispersed in Glassy Hosts.

    Science.gov (United States)

    Noriega, Rodrigo; Barnard, Edward S; Ursprung, Benedikt; Cotts, Benjamin L; Penwell, Samuel B; Schuck, P James; Ginsberg, Naomi S

    2016-10-04

    Recently developed all-organic emitters used in display applications achieve high brightness by harvesting triplet populations via thermally activated delayed fluorescence. The photophysical properties of these emitters therefore involve new inherent complexities and are strongly affected by interactions with their host material in the solid state. Ensemble measurements occlude the molecular details of how host-guest interactions determine fundamental properties such as the essential balance of singlet oscillator strength and triplet harvesting. Therefore, using time-resolved fluorescence spectroscopy, we interrogate these emitters at the single-molecule level and compare their properties in two distinct glassy polymer hosts. We find that nonbonding interactions with aromatic moieties in the host appear to mediate the molecular configurations of the emitters, but also promote nonradiative quenching pathways. We also find substantial heterogeneity in the time-resolved photoluminescence of these emitters, which is dominated by static disorder in the polymer. Finally, since singlet-triplet cycling underpins the mechanism for increased brightness, we present the first room-temperature measurement of singlet-triplet equilibration dynamics in this family of emitters. Our observations present a molecular-scale interrogation of host-guest interactions in a disordered film, with implications for highly efficient organic light-emitting devices. Combining a single-molecule experimental technique with an emitter that is sensitive to triplet dynamics, yet read out via fluorescence, should also provide a complementary approach to performing fundamental studies of glassy materials over a large dynamic range of time scales.

  2. Particle accelerator physics

    CERN Document Server

    Wiedemann, Helmut

    2015-01-01

    This book by Helmut Wiedemann is a well-established, classic text, providing an in-depth and comprehensive introduction to the field of high-energy particle acceleration and beam dynamics. The present 4th edition has been significantly revised, updated and expanded. The newly conceived Part I is an elementary introduction to the subject matter for undergraduate students. Part II gathers the basic tools in preparation of a more advanced treatment, summarizing the essentials of electrostatics and electrodynamics as well as of particle dynamics in electromagnetic fields. Part III is an extensive primer in beam dynamics, followed, in Part IV, by an introduction and description of the main beam parameters and including a new chapter on beam emittance and lattice design. Part V is devoted to the treatment of perturbations in beam dynamics. Part VI then discusses the details of charged particle acceleration. Parts VII and VIII introduce the more advanced topics of coupled beam dynamics and describe very intense bea...

  3. Positronics of radiation-induced effects in chalcogenide glassy semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O. [Scientific Research Company “Carat” (Ukraine); Kozyukhin, S. A., E-mail: sergkoz@igic.ras.ru [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation); Shpotyuk, M. [Scientific Research Company “Carat” (Ukraine); Ingram, A. [Opole Technical University (Poland); Szatanik, R. [Opole University (Poland)

    2015-03-15

    Using As{sub 2}S{sub 3} and AsS{sub 2} glasses as an example, the principal possibility of using positron annihilation spectroscopy methods for studying the evolution of the free volume of hollow nanoobjects in chalcogenide glassy semiconductors exposed to radiation is shown. The results obtained by measurements of the positron annihilation lifetime and Doppler broadening of the annihilation line in reverse chronological order are in full agreement with the optical spectroscopy data in the region of the fundamental absorption edge, being adequately described within coordination defect-formation and physical-aging models.

  4. Enhanced thermal transport through a soft glassy nanodisk paste

    Science.gov (United States)

    Bhandari, Susheel S.; Muralidhar, K.; Joshi, Yogesh M.

    2013-02-01

    We study the diffusion of heat in an aqueous suspension of disk-shaped nanoparticles of Laponite, which has finite elasticity and a pastelike consistency, by using the Mach-Zehnder interferometer. We estimate the thermal diffusivity of the suspension by comparing the experimentally obtained temperature distribution to that with an analytical solution. We observe that, despite the highly constrained Brownian diffusivity of particles owing to its soft glassy nature, suspensions at very small concentrations of Laponite demonstrate significant enhancement in thermal diffusivity. We correlate the observed enhancement with the possible microstructures of the Laponite suspension.

  5. KEK digital accelerator

    Science.gov (United States)

    Iwashita, T.; Adachi, T.; Takayama, K.; Leo, K. W.; Arai, T.; Arakida, Y.; Hashimoto, M.; Kadokura, E.; Kawai, M.; Kawakubo, T.; Kubo, Tomio; Koyama, K.; Nakanishi, H.; Okazaki, K.; Okamura, K.; Someya, H.; Takagi, A.; Tokuchi, A.; Wake, M.

    2011-07-01

    The High Energy Accelerator Research Organization KEK digital accelerator (KEK-DA) is a renovation of the KEK 500 MeV booster proton synchrotron, which was shut down in 2006. The existing 40 MeV drift tube linac and rf cavities have been replaced by an electron cyclotron resonance (ECR) ion source embedded in a 200 kV high-voltage terminal and induction acceleration cells, respectively. A DA is, in principle, capable of accelerating any species of ion in all possible charge states. The KEK-DA is characterized by specific accelerator components such as a permanent magnet X-band ECR ion source, a low-energy transport line, an electrostatic injection kicker, an extraction septum magnet operated in air, combined-function main magnets, and an induction acceleration system. The induction acceleration method, integrating modern pulse power technology and state-of-art digital control, is crucial for the rapid-cycle KEK-DA. The key issues of beam dynamics associated with low-energy injection of heavy ions are beam loss caused by electron capture and stripping as results of the interaction with residual gas molecules and the closed orbit distortion resulting from relatively high remanent fields in the bending magnets. Attractive applications of this accelerator in materials and biological sciences are discussed.

  6. Accelerating Value Creation with Accelerators

    DEFF Research Database (Denmark)

    Jonsson, Eythor Ivar

    2015-01-01

    accelerator programs. Microsoft runs accelerators in seven different countries. Accelerators have grown out of the infancy stage and are now an accepted approach to develop new ventures based on cutting-edge technology like the internet of things, mobile technology, big data and virtual reality. It is also...... with the traditional audit and legal universes and industries are examples of emerging potentials both from a research and business point of view to exploit and explore further. The accelerator approach may therefore be an Idea Watch to consider, no matter which industry you are in, because in essence accelerators...

  7. Accelerating Value Creation with Accelerators

    DEFF Research Database (Denmark)

    Jonsson, Eythor Ivar

    2015-01-01

    Accelerators can help to accelerate value creation. Accelerators are short-term programs that have the objective of creating innovative and fast growing ventures. They have gained attraction as larger corporations like Microsoft, Barclays bank and Nordea bank have initiated and sponsored accelera......Accelerators can help to accelerate value creation. Accelerators are short-term programs that have the objective of creating innovative and fast growing ventures. They have gained attraction as larger corporations like Microsoft, Barclays bank and Nordea bank have initiated and sponsored...... an approach to facilitate implementation and realization of business ideas and is a lucrative approach to transform research into ventures and to revitalize regions and industries in transition. Investors have noticed that the accelerator approach is a way to increase the possibility of success by funnelling...

  8. Structural and spectroscopic studies of a commercial glassy carbon

    Energy Technology Data Exchange (ETDEWEB)

    Parker, Stewart F., E-mail: stewart.parker@stfc.ac.uk [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot OX11 0QX (United Kingdom); Imberti, Silvia; Callear, Samantha K. [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot OX11 0QX (United Kingdom); Albers, Peter W. [AQura GmbH, AQ-EM, Rodenbacher Chaussee 4, D-63457 Hanau (Germany)

    2013-12-12

    Highlights: • Structural and spectroscopic probes show that glassy carbon is very like amorphous carbon. • No evidence for fullerene-like material being present to a significant extent. • A small quantity of water is trapped in the network and may account for batch-to-batch variation in properties. - Abstract: Glassy carbon is a form of carbon made by heating a phenolic resin to high temperature in an inert atmosphere. It has been suggested that it is composed of fullerene-like structures. The aim of the present work was to characterize the material using both structural (neutron diffraction and transmission electron microscopy) and spectroscopic (inelastic neutron scattering, Raman and X-ray photoelectron spectroscopies) methods. We find no evidence to support the suggestion of fullerene-like material being present to a significant extent, rather the model that emerges from all of the techniques is that the material is very like amorphous carbon, consisting of regions of small graphite-like basic structural units of partly stacked but mismatched structure with the edges terminated by hydrogen or hydroxyls. We do find evidence for the presence of a small quantity of water trapped in the network and suggest that this may account for batch-to-batch variation in properties that may occur.

  9. Relook on fitting of viscosity with undercooling of glassy liquids

    Indian Academy of Sciences (India)

    C Chattopadhyay; S Sangal; K Mondal

    2014-02-01

    The present approach is on the modification of viscosity fitting of undercooled liquid as a function of undercooling. The method consists of finding analytical solution of three arbitrary constants of the Vogel–Fulcher–Tamman (VFT) equation by choosing three viscosity data at three critical temperatures for an undercooled liquid. Three critical temperatures are liquidus temperature (l), crystallization onset temperature (x) and glass transition temperature (g). The experimental viscosity data at or very near to these three critical temperatures (depending on the availability in literature) have been utilized to achieve the analytical solution. The analytical solution of VFT equation is further examined by selecting the experimental data points away from the critical temperatures in order to check their (l, x and g) significance towards the solution. Total absolute error (TAE) and total squared error (TSE) values obtained from the present method with respect to the experimental viscosity data in the temperature range between l and g are very much comparable and in most of the cases lower than that of existing `best-fit' cited in the literature for a number of glassy alloys. Moreover, this method interestingly enables us to find the fragility parameters for a number of glassy alloys and convincingly explain their true glass forming abilities (GFA).

  10. Deformation in Thin Glassy Polymer Films from Surface towards Interior

    Science.gov (United States)

    Chowdhury, Mithun; de Silva, Johann P.; Cross, Graham L. W.

    Polymer thin glassy films occupy an important place in last two decades of condensed matter research, concerning its surprising surface mobility and spatially dependent structural relaxation. However, ranges of cleverly designed indirect measurements on confined polymer glassy films already probed its mechanical properties; it is still a challenging task to directly probe such small confined volume through conventional mechanical testing. We have designed confined layer compression testing with a precisely designed and aligned flat probe during nanoindentation, which was further accompanied with atomic force microscopy. Due to natural confinement from the surrounding material, we show that a state of `uniaxial strain' is created beneath the probe under small axial strains. By this methodology we are able to directly probe uniaxial flows under both anelastic and plastic conditions while doing controlled creep studies at different positions in the film starting from surface towards interior. Depending on the extent of deformation, we found ranges of effects, such as densification, anelastic yield, and plastic yield. Enhanced creep rate upon deformation supports the idea of `deformation induced mobility'. Work performed at Trinity College Dublin.

  11. Evaluation of grapevine as a host for the glassy-winged sharpshooter

    Science.gov (United States)

    Grapevine was evaluated as a feeding and oviposition host for the glassy-winged sharpshooter. Two sets of experiments were conducted. The first set compared performance and preference of glassy-winged sharpshooter females for grapevine (cv. Chardonnay) versus cowpea (Vigna unguiculata cultivar black...

  12. Accelerated dynamic cardiac MRI exploiting sparse-Kalman-smoother self-calibration and reconstruction (k  -  t SPARKS).

    Science.gov (United States)

    Park, Suhyung; Park, Jaeseok

    2015-05-07

    Accelerated dynamic MRI, which exploits spatiotemporal redundancies in k  -  t space and coil dimension, has been widely used to reduce the number of signal encoding and thus increase imaging efficiency with minimal loss of image quality. Nonetheless, particularly in cardiac MRI it still suffers from artifacts and amplified noise in the presence of time-drifting coil sensitivity due to relative motion between coil and subject (e.g. free breathing). Furthermore, a substantial number of additional calibrating signals is to be acquired to warrant accurate calibration of coil sensitivity. In this work, we propose a novel, accelerated dynamic cardiac MRI with sparse-Kalman-smoother self-calibration and reconstruction (k  -  t SPARKS), which is robust to time-varying coil sensitivity even with a small number of calibrating signals. The proposed k  -  t SPARKS incorporates Kalman-smoother self-calibration in k  -  t space and sparse signal recovery in x  -   f space into a single optimization problem, leading to iterative, joint estimation of time-varying convolution kernels and missing signals in k  -  t space. In the Kalman-smoother calibration, motion-induced uncertainties over the entire time frames were included in modeling state transition while a coil-dependent noise statistic in describing measurement process. The sparse signal recovery iteratively alternates with the self-calibration to tackle the ill-conditioning problem potentially resulting from insufficient calibrating signals. Simulations and experiments were performed using both the proposed and conventional methods for comparison, revealing that the proposed k  -  t SPARKS yields higher signal-to-error ratio and superior temporal fidelity in both breath-hold and free-breathing cardiac applications over all reduction factors.

  13. Study of vortex ring dynamics in the nonlinear Schrodinger equation utilizing GPU-accelerated high-order compact numerical integrators

    Science.gov (United States)

    Caplan, Ronald Meyer

    We numerically study the dynamics and interactions of vortex rings in the nonlinear Schrodinger equation (NLSE). Single ring dynamics for both bright and dark vortex rings are explored including their traverse velocity, stability, and perturbations resulting in quadrupole oscillations. Multi-ring dynamics of dark vortex rings are investigated, including scattering and merging of two colliding rings, leapfrogging interactions of co-traveling rings, as well as co-moving steady-state multi-ring ensembles. Simulations of choreographed multi-ring setups are also performed, leading to intriguing interaction dynamics. Due to the inherent lack of a close form solution for vortex rings and the dimensionality where they live, efficient numerical methods to integrate the NLSE have to be developed in order to perform the extensive number of required simulations. To facilitate this, compact high-order numerical schemes for the spatial derivatives are developed which include a new semi-compact modulus-squared Dirichlet boundary condition. The schemes are combined with a fourth-order Runge-Kutta time-stepping scheme in order to keep the overall method fully explicit. To ensure efficient use of the schemes, a stability analysis is performed to find bounds on the largest usable time step-size as a function of the spatial step-size. The numerical methods are implemented into codes which are run on NVIDIA graphic processing unit (GPU) parallel architectures. The codes running on the GPU are shown to be many times faster than their serial counterparts. The codes are developed with future usability in mind, and therefore are written to interface with MATLAB utilizing custom GPU-enabled C codes with a MEX-compiler interface. Reproducibility of results is achieved by combining the codes into a code package called NLSEmagic which is freely distributed on a dedicated website.

  14. The miniature accelerator

    CERN Multimedia

    Antonella Del Rosso

    2015-01-01

    The image that most people have of CERN is of its enormous accelerators and their capacity to accelerate particles to extremely high energies. But thanks to some cutting-edge studies on beam dynamics and radiofrequency technology, along with innovative construction techniques, teams at CERN have now created the first module of a brand-new accelerator, which will be just 2 metres long. The potential uses of this miniature accelerator will include deployment in hospitals for the production of medical isotopes and the treatment of cancer. It’s a real David-and-Goliath story.   Serge Mathot, in charge of the construction of the "mini-RFQ", pictured with the first of the four modules that will make up the miniature accelerator. The miniature accelerator consists of a radiofrequency quadrupole (RFQ), a component found at the start of all proton accelerator chains around the world, from the smallest to the largest. The LHC is designed to produce very high-intensity beams ...

  15. LIBO accelerates

    CERN Multimedia

    2002-01-01

    The prototype module of LIBO, a linear accelerator project designed for cancer therapy, has passed its first proton-beam acceleration test. In parallel a new version - LIBO-30 - is being developed, which promises to open up even more interesting avenues.

  16. RECIRCULATING ACCELERATION

    Energy Technology Data Exchange (ETDEWEB)

    BERG,J.S.; GARREN,A.A.; JOHNSTONE,C.

    2000-04-07

    This paper compares various types of recirculating accelerators, outlining the advantages and disadvantages of various approaches. The accelerators are characterized according to the types of arcs they use: whether there is a single arc for the entire recirculator or there are multiple arcs, and whether the arc(s) are isochronous or non-isochronous.

  17. Dynamic increase in extracellular ATP accelerates photoreceptor cell apoptosis via ligation of P2RX7 in subretinal hemorrhage.

    Directory of Open Access Journals (Sweden)

    Shoji Notomi

    Full Text Available Photoreceptor degeneration is the most critical cause of visual impairment in age-related macular degeneration (AMD. In neovascular form of AMD, severe photoreceptor loss develops with subretinal hemorrhage due to choroidal neovascularization (CNV, growth of abnormal blood vessels from choroidal circulation. However, the detailed mechanisms of this process remain elusive. Here we demonstrate that neovascular AMD with subretinal hemorrhage accompanies a significant increase in extracellular ATP, and that extracellular ATP initiates neurodegenerative processes through specific ligation of Purinergic receptor P2X, ligand-gated ion channel, 7 (P2RX7; P2X7 receptor. Increased extracellular ATP levels were found in the vitreous samples of AMD patients with subretinal hemorrhage compared to control vitreous samples. Extravascular blood induced a massive release of ATP and photoreceptor cell apoptosis in co-culture with primary retinal cells. Photoreceptor cell apoptosis accompanied mitochondrial apoptotic pathways, namely activation of caspase-9 and translocation of apoptosis-inducing factor (AIF from mitochondria to nuclei, as well as TUNEL-detectable DNA fragmentation. These hallmarks of photoreceptor cell apoptosis were prevented by brilliant blue G (BBG, a selective P2RX7 antagonist, which is an approved adjuvant in ocular surgery. Finally, in a mouse model of subretinal hemorrhage, photoreceptor cells degenerated through BBG-inhibitable apoptosis, suggesting that ligation of P2RX7 by extracellular ATP may accelerate photoreceptor cell apoptosis in AMD with subretinal hemorrhage. Our results indicate a novel mechanism that could involve neuronal cell death not only in AMD but also in hemorrhagic disorders in the CNS and encourage the potential application of BBG as a neuroprotective therapy.

  18. Wide dynamic range FPGA-based TDC for monitoring a trigger timing distribution system in linear accelerators

    Science.gov (United States)

    Suwada, T.; Miyahara, F.; Furukawa, K.; Shoji, M.; Ikeno, M.; Tanaka, M.

    2015-06-01

    A new field-programmable gate array (FPGA)-based time-to-digital converter (TDC) with a wide dynamic range greater than 20 ms has been developed to monitor the timing of various pulsed devices in the trigger timing distribution system of the KEKB injector linac for the Super KEK B-factory project. The pulsed devices are driven by feeding regular as well as any irregular (or event-based) timing pulses. The timing pulses are distributed to these pulsed devices along the linac beam line with fiber-optic links on the basis of the parameters to be set pulse-by-pulse in the event-based timing and control system within 20 ms. For monitoring the timing as precisely as possible, a 16-ch FPGA-based TDC has been developed on a Xilinx Spartan-6 FPGA equipped on VME board with a resolution of 1 ns. The resolution was achieved by applying a multisampling technique, and the accuracies were 2.6 ns (rms) and less than 1 ns (rms) within the dynamic ranges of 20 ms and 7.5 ms, respectively. The various nonlinear effects were improved by implementing a high-precision external clock with a built-in temperature-compensated crystal oscillator.

  19. Wide dynamic range FPGA-based TDC for monitoring a trigger timing distribution system in linear accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Suwada, T., E-mail: tsuyoshi.suwada@kek.jp [Accelerator Laboratory, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Department of Accelerator Science, Graduate University for Advanced Studies (SOKENDAI), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Miyahara, F.; Furukawa, K. [Accelerator Laboratory, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Department of Accelerator Science, Graduate University for Advanced Studies (SOKENDAI), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Shoji, M.; Ikeno, M.; Tanaka, M. [Institute of Particle and Nuclear Studies, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan)

    2015-06-21

    A new field-programmable gate array (FPGA)-based time-to-digital converter (TDC) with a wide dynamic range greater than 20 ms has been developed to monitor the timing of various pulsed devices in the trigger timing distribution system of the KEKB injector linac for the Super KEK B-factory project. The pulsed devices are driven by feeding regular as well as any irregular (or event-based) timing pulses. The timing pulses are distributed to these pulsed devices along the linac beam line with fiber-optic links on the basis of the parameters to be set pulse-by-pulse in the event-based timing and control system within 20 ms. For monitoring the timing as precisely as possible, a 16-ch FPGA-based TDC has been developed on a Xilinx Spartan-6 FPGA equipped on VME board with a resolution of 1 ns. The resolution was achieved by applying a multisampling technique, and the accuracies were 2.6 ns (rms) and less than 1 ns (rms) within the dynamic ranges of 20 ms and 7.5 ms, respectively. The various nonlinear effects were improved by implementing a high-precision external clock with a built-in temperature-compensated crystal oscillator.

  20. Modified glassy carbon electrodes based on carbon nanostructures for ultrasensitive electrochemical determination of furazolidone

    Energy Technology Data Exchange (ETDEWEB)

    Shahrokhian, Saeed, E-mail: shahrokhian@sharif.edu [Department of Chemistry, Sharif University of Technology, Tehran 11155-9516 (Iran, Islamic Republic of); Institute for Nanoscience and Nanotechnology, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Naderi, Leila [Department of Chemistry, Sharif University of Technology, Tehran 11155-9516 (Iran, Islamic Republic of); Ghalkhani, Masoumeh [Department of Chemistry, Faculty of Science, Shahid Rajaee Teacher Training University, Lavizan, Tehran (Iran, Islamic Republic of); Institute for advanced technology, Shahid Rajaee Teacher Training University, Lavizan, Tehran, 16788 (Iran, Islamic Republic of)

    2016-04-01

    The electrochemical behavior of Furazolidone (Fu) was investigated on the surface of the glassy carbon electrode modified with different carbon nanomaterials, including carbon nanotubes (CNTs), carbon nanoparticles (CNPs), nanodiamond-graphite (NDG), graphene oxide (GO), reduced graphene oxide (RGO) and RGO-CNT hybrids (various ratios) using linear sweep voltammetry (LSV). The results of voltammetric studies exhibited a considerable increase in the cathodic peak current of Fu at the RGO modified GCE, compared to other modified electrodes and also bare GCE. The surface morphology and nature of the RGO film was thoroughly characterized by scanning electron microscopy (SEM), atomic force microscopy (AFM), electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV) techniques. The modified electrode showed two linear dynamic ranges of 0.001–2.0 μM and 2.0–10.0 μM with a detection limit of 0.3 nM for the voltammetric determination of Fu. This sensor was used successfully for Fu determination in pharmaceutical and clinical preparations. - Highlights: • The electrochemical behavior of Furazolidone (Fu) was investigated on the surface of the modified electrode with different carbon nanomaterials by Linear sweep voltammetry. • Two linear dynamic ranges and a low detection limit were obtained. • The modified electrode was applied for the detection of Fu in pharmaceutical and clinical preparations.

  1. Acoustic excitations in glassy sorbitol and their relation with the fragility and the boson peak

    Science.gov (United States)

    Ruta, B.; Baldi, G.; Scarponi, F.; Fioretto, D.; Giordano, V. M.; Monaco, G.

    2012-12-01

    We report a detailed analysis of the dynamic structure factor of glassy sorbitol by using inelastic X-ray scattering and previously measured light scattering data [B. Ruta, G. Monaco, F. Scarponi, and D. Fioretto, Philos. Mag. 88, 3939 (2008), 10.1080/14786430802317586]. The thus obtained knowledge on the density-density fluctuations at both the mesoscopic and macroscopic length scale has been used to address two debated topics concerning the vibrational properties of glasses. The relation between the acoustic modes and the universal boson peak (BP) appearing in the vibrational density of states of glasses has been investigated, also in relation with some recent theoretical models. Moreover, the connection between the elastic properties of glasses and the slowing down of the structural relaxation process in supercooled liquids has been scrutinized. For what concerns the first issue, it is here shown that the wave vector dependence of the acoustic excitations can be used, in sorbitol, to quantitatively reproduce the shape of the boson peak, supporting the relation between BP and acoustic modes. For what concerns the second issue, a proper study of elasticity over a wide spatial range is shown to be fundamental in order to investigate the relation between elastic properties and the slowing down of the dynamics in the corresponding supercooled liquid phase.

  2. Manufacturing of glassy thin shell for adaptive optics: results achieved

    Science.gov (United States)

    Poutriquet, F.; Rinchet, A.; Carel, J.-L.; Leplan, H.; Ruch, E.; Geyl, R.; Marque, G.

    2012-07-01

    Glassy thin shells are key components for the development of adaptive optics and are part of future & innovative projects such as ELT. However, manufacturing thin shells is a real challenge. Even though optical requirements for the front face - or optical face - are relaxed compared to conventional passive mirrors, requirements concerning thickness uniformity are difficult to achieve. In addition, process has to be completely re-defined as thin mirror generates new manufacturing issues. In particular, scratches and digs requirement is more difficult as this could weaken the shell, handling is also an important issue due to the fragility of the mirror. Sagem, through REOSC program, has recently manufactured different types of thin shells in the frame of European projects: E-ELT M4 prototypes and VLT Deformable Secondary Mirror (VLT DSM).

  3. Gesture Acceleration Signals Recognition Based on Dynamic Time Warping%基于动态时间规整的手势加速度信号识别

    Institute of Scientific and Technical Information of China (English)

    荆雷; 马文君; 常丹华

    2012-01-01

    A dynamic time warping algorithm of gesture recognition was used to improve the performance of dynamic gesture recognition based on accelerometer. The similarity between test template and reference template is calculated by dynamic time warping method(DTW) ,and the results of recognition are got from these similarities. To confirm our algorithm, a wireless gesture acceleration measurement system is proposed and measurements gesture information on 41 volunteers is collected. The results show that the average gesture rate is above 97%. Compared with the algorithm of hidden Markov model(HMM) ,the DTW algorithm is more precise in recognition accuracy.%为了提高基于加速度传感器的动态手势识别算法的性能,本文采用了动态时间规整(DTW)识别算法.通过该算法计算测试模板和参考模板的相似度,从而得出识别结果.为了验证该方法,建立了一套手势加速度无线采集系统,并采集了41个志愿者的手势信息.实验结果表明,该方法手势平均识别率在97%以上.与HMM识别算法相比,DTW识别算法在识别的准确率上比HMM识别算法更具优势.

  4. Electroanalysis of trimethoprim on metalloporphyrin incorporated glassy carbon electrode.

    Science.gov (United States)

    Rajith, Leena; Kumar, Krishnapillai Girish

    2010-09-01

    Trimethoprim (TMP) is a bacteriostatic antibiotic mainly used in the prophylaxis and treatment of urinary tract infections. It belongs to the class of chemotherapeutic agents known as dihydrofolate reductase inhibitors. Its use is associated with idiosyncratic reactions, including liver toxicity and agranulocytosis. In order to determine TMP electrochemically, a metalloporphyrin modified glassy carbon electrode was prepared by coating [5,10,15,20- tetrakis(4-methoxyphenyl) porphyrinato]Mn (III)chloride (TMOPPMn(III)Cl) solution on the surface of the electrode. The electrochemical behaviour of TMP in Phosphate buffer solution (PBS) on TMOPPMn(III)Cl modified glassy carbon electrode (TMOPPMn(III)Cl/GCE) was explored using differential pulse voltammetry (DPV). The voltammograms showed enhanced oxidation response at the TMOPPMn (III)Cl/GCE with respect to the bare GCE for TMP, attributable to the electrocatalytic activity of TMOPPMn(III)Cl. Electrochemical parameters of the oxidation of TMP on the modified electrode were analyzed. The electro-oxidation of TMP was found to be irreversible, pH dependent and adsorption controlled on the modified electrode. It is found that the oxidation peak current is proportional to the concentration of TMP over the range 6 × 10⁻⁸ - 1 × 10⁻⁶ M with a very low detection limit of 3 × 10⁻⁹ M at 2 min open circuit accumulation. The repeatability expressed as relative standard deviation (RSD) for n = 9 was 3.2% and the operational stability was found to be 20 days. Another striking feature is that equimolar concentration of sulfamethoxazole did not interfere in the determination of TMP. Applicability to assay the drug in urine and tablet samples has also been studied.

  5. k-t acceleration in pure phase encode MRI to monitor dynamic flooding processes in rock core plugs.

    Science.gov (United States)

    Xiao, Dan; Balcom, Bruce J

    2014-06-01

    Monitoring the pore system in sedimentary rocks with MRI when fluids are introduced is very important in the study of petroleum reservoirs and enhanced oil recovery. However, the lengthy acquisition time of each image, with pure phase encode MRI, limits the temporal resolution. Spatiotemporal correlations can be exploited to undersample the k-t space data. The stacked frames/profiles can be well approximated by an image matrix with rank deficiency, which can be recovered by nonlinear nuclear norm minimization. Sparsity of the x-t image can also be exploited for nonlinear reconstruction. In this work the results of a low rank matrix completion technique were compared with k-t sparse compressed sensing. These methods are demonstrated with one dimensional SPRITE imaging of a Bentheimer rock core plug and SESPI imaging of a Berea rock core plug, but can be easily extended to higher dimensionality and/or other pure phase encode measurements. These ideas will enable higher dimensionality pure phase encode MRI studies of dynamic flooding processes in low magnetic field systems.

  6. Horizontal Accelerator

    Data.gov (United States)

    Federal Laboratory Consortium — The Horizontal Accelerator (HA) Facility is a versatile research tool available for use on projects requiring simulation of the crash environment. The HA Facility is...

  7. Fluctuations in the Dynamics of Glasses

    Energy Technology Data Exchange (ETDEWEB)

    Castillo, Horacio E. [Ohio Univ., Athens, OH (United States). Department of Physics and Astronomy

    2015-05-06

    This research program addressed the question of the presence of dynamical heterogeneities – strong spatial fluctuations in the dynamics – in glass forming liquids and jamming systems near dynamical arrest, with particular emphasis on aging systems, i.e. systems that are in the (non-equilibrium) glass regime. The main goals proposed for this research were: to perform numerical simulations of atomistic structural glass models to characterize dynamical heterogeneities in out of equilibrium (aging) glassy systems; to test the hypothesis that a certain symmetry (“time reparametrization symmetry”) is present in microscopic models of glassy systems and that this symmetry can explain the main features of dynamical heterogeneities; and to test to what extent these phenomena are universal across different glassy/jamming systems. It was found that: most of the important features of dynamical heterogeneities in the aging regime could be described in terms of simple scaling behaviors; that some of the most basic theoretical models of glassy systems indeed have time reparametrization symmetry; that all tests performed in numerical simulation data were consistent with the predictions from time reparametrization symmetry; and that to a large degree, the main features of dynamical heterogeneities were universal across different glassy systems. Most of the findings that came out of this research have been reported in detail in eight papers in high quality journals, two unpublished but publicly accessible manuscripts, and 27 invited and contributed talks.

  8. GPU上计算流体力学的加速%Acceleration of Computational Fluid Dynamics Codes on GPU

    Institute of Scientific and Technical Information of China (English)

    董廷星; 李新亮; 李森; 迟学斌

    2011-01-01

    Computational Fluid Dynamic (CFD) codes based on incompressible Navier-Stokes, compressible Euler and compressible Navier-Stokes solvers are ported on NVIDIA GPU. As validation test, we have simulated a two-dimension cavity flow, Riemann problem and a transonic flow over a RAE2822 airfoil. Maximum 33.2x speedup is reported in our test. To maximum the GPU code performance, we also explore a number of GPU-specific optimization strategies. It demonstrates GPU code gives the expected results compared CPU code and experimental result and GPU computing has good compatibility and bright future.%本文将计算流体力学中的可压缩的纳维叶-斯托克斯(Navier-Stokes),不可压缩的Navier-Stokes和欧拉(Euler)方程移植到NVIDIA GPU上.模拟了3个测试例子,2维的黎曼问题,方腔流问题和RAE2822型的机翼绕流.相比于CPU,我们在GPU平台上最高得到了33.2倍的加速比.为了最大程度提高代码的性能,针对GPU平台上探索了几种优化策略.和CPU以及实验结果对比表明,利用计算流体力学在GPU平台上能够得到预想的结果,具有很好的应用前景.

  9. Monte Carlo simulation of the Varian Clinac 600C accelerator using dynamic wedges; Simulacao Monte Carlo do acelerador Varian Clinac 600C utilizando cunhas dinamicas

    Energy Technology Data Exchange (ETDEWEB)

    Moreno, S. [Universidade da Beira Interior (UBI), Covilha (Portugal); Chaves, A.; Lopes, M.C. [Instituto Portugues de Oncologia Doutor Francisco Gentil (IPO), Coimbra (Portugal); Peralta, L. [Laboratorio de Instrumentacao e Fisica Experimental de Particulas (LIP), Lisboa (Portugal)]|[Universidade de Lisboa (Portugal). Faculdade de Ciencias

    2004-07-01

    The advent of linear accelerators (linac) with computer-controlled dynamic collimation systems and functional and anatomical imaging techniques allowed a more exact delimitation and localisation of the target volume. These advanced treatment techniques inevitably increase the complexity level of dose calculation because of the introduction of the temporal variable. On account of this, it is mandatory the usage of more accurate modelling techniques of the collimator components, as it is the case of Monte Carlo (MC) simulation, which has created an enormous interest in research and clinical practice. Because the patients bodies are not homogenous nor are their body surfaces plane and regular, the dose distribution may differ significantly from the standard distribution from the linac calibration. It is in the treatment planning systems, which include algorithms that are usually measured in homogeneous water phantoms specific for each correction that the dose distributions from each case are obtained. In a real treatment, exception made to superficial lesions, two or more radiation fields are used in order to obtain the recommended dose distributions. The simplest arrangement is made from two parallel and opposed fields that originate a homogeneous dose distribution in almost all the irradiated volume. The available resources are, for example, different types of energies and of radiation, the application of bolus, the protection of healthy structures, the usage of wedged filters and the application of dynamic wedges. A virtual or dynamic wedge, modelled through the movement of one of the jaws, when compared with a set of physical wedges offers an alternative calculation method of an arbitrary number of wedged fields, instead of the four traditional fields of 15 deg, 30 deg, 45 deg and 60 deg angle and obtained with physical wedges. The goal of this work consists in the study of the application of dynamic wedges in tailoring the radiation field by the Varian Clinac 600

  10. SU-E-J-156: Preclinical Inverstigation of Dynamic Tumor Tracking Using Vero SBRT Linear Accelerator: Motion Phantom Dosimetry Study

    Energy Technology Data Exchange (ETDEWEB)

    Mamalui-Hunter, M; Wu, J; Li, Z; Su, Z [University of Florida/Radiation Oncology, Jacksonville, FL (United States)

    2014-06-01

    Purpose: Following the ‘end-to-end testing’ paradigm of Dynamic Target Tracking option in our Image-Guided dedicated SBRT VeroTM linac, we verify the capability of the system to deliver planned dose to moving targets in the heterogeneous thorax phantom (CIRSTM). The system includes gimbaled C-band linac head, robotic 6 degree of freedom couch and a tumor tracking method based on predictive modeling of target position using fluoroscopically tracked implanted markers and optically tracked infrared reflecting external markers. Methods: 4DCT scan of the motion phantom with the VisicoilTM implanted marker in the close vicinity of the target was acquired, the ‘exhale’=most prevalent phase was used for planning (iPlan by BrainLabTM). Typical 3D conformal SBRT treatment plans aimed to deliver 6-8Gy/fx to two types of targets: a)solid water-equivalent target 3cm in diameter; b)single VisicoilTM marker inserted within lung equivalent material. The planning GTV/CTV-to-PTV margins were 2mm, the block margins were 3 mm. The dose calculated by MonteCarlo algorithm with 1% variance using option Dose-to-water was compared to the ion chamber (CC01 by IBA Dosimetry) measurements in case (a) and GafchromicTM EBT3 film measurements in case (b). During delivery, the target 6 motion patterns available as a standard on CIRSTM motion phantom were investigated: in case (a), the target was moving along the designated sine or cosine4 3D trajectory; in case (b), the inserted marker was moving sinusoidally in 1D. Results: The ion chamber measurements have shown the agreement with the planned dose within 1% under all the studied motion conditions. The film measurements show 98.1% agreement with the planar calculated dose (gamma criteria: 3%/3mm). Conclusion: We successfully verified the capability of the SBRT VeroTM linac to perform real-time tumor tracking and accurate dose delivery to the target, based on predictive modeling of the correlation between implanted marker motion and

  11. Determination of Volatility and Element Fractionation in Glassy Fallout Debris by SIMS

    Energy Technology Data Exchange (ETDEWEB)

    Williamson, Todd L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tenner, Travis Jay [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Bonamici, Chloe Elizabeth [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Kinman, William Scott [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pollington, Anthony Douglas [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Steiner, Robert Ernest [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-05-10

    The purpose of this report is to characterize glassy fallout debris using the Trinity Test and then characterize the U-isotopes of U3O8 reference materials that contain weaponized debris.

  12. Graphene nanosheets modified glassy carbon electrode for simultaneous detection of heroine, morphine and noscapine.

    Science.gov (United States)

    Navaee, Aso; Salimi, Abdollah; Teymourian, Hazhir

    2012-01-15

    In the present study, the graphene nanosheets (GNSs) modified glassy carbon (GC) electrode is employed for simultaneous determination of morphine, noscapine and heroin. To the best of our knowledge this is the first report of the simultaneous determination of these three important opiate drugs based on their direct electrochemical oxidation. Field emission scanning electron microscopy (FESEM) technique is utilized in order to study the surface morphology of the modified electrode. The modified electrode shows excellent electrocatalytic activity toward oxidation of morphine, noscapine and heroin at reduced overpotentials in wide pH range. In the performed experiments, differential pulse voltammetric determination of morphine, noscapine and heroin yields calibration curves with the following characteristics; linear dynamic range up to 65, 40 and 100 μM, sensitivity of 275, 500 and 217 nA μM(-1) cm(-2), and detection limits of 0.4, 0.2 and 0.5 μM at 3S(B), respectively. Fast response time, signal stability, high sensitivity, low cost and ease of preparation method without using any specific electron-transfer mediator or specific reagent are the advantageous of the proposed sensor. The modified electrode can be used for simultaneous or individual detection of three major narcotic components, heroin, noscapine and morphine at micromolar concentration without any separation or pretreatment steps.

  13. Simultaneous voltammetric determination of tramadol and acetaminophen using carbon nanoparticles modified glassy carbon electrode

    Energy Technology Data Exchange (ETDEWEB)

    Ghorbani-Bidkorbeh, Fatemeh [Department of Chemistry, Sharif University of Technology, Tehran 11155-9516 (Iran, Islamic Republic of); Department of Pharmaceutics, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Shahrokhian, Saeed, E-mail: shahrokhian@sharif.ed [Department of Chemistry, Sharif University of Technology, Tehran 11155-9516 (Iran, Islamic Republic of); Institute for Nanoscience and Technology, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Mohammadi, Ali [Department of Drug and Food Control, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Dinarvand, Rassoul [Department of Pharmaceutics, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Nanotechnology Research Centre, Faculty of Pharmacy, Tehran University of Medical Sciences, P.O. Box 14155-6451, Tehran (Iran, Islamic Republic of)

    2010-03-01

    A sensitive and selective electrochemical sensor was fabricated via the drop-casting of carbon nanoparticles (CNPs) suspension onto a glassy carbon electrode (GCE). The application of this sensor was investigated in simultaneous determination of acetaminophen (ACE) and tramadol (TRA) drugs in pharmaceutical dosage form and ACE determination in human plasma. In order to study the electrochemical behaviors of the drugs, cyclic and differential pulse voltammetric studies of ACE and TRA were carried out at the surfaces of the modified GCE (MGCE) and the bare GCE. The dependence of peak currents and potentials on pH, concentration and the potential scan rate were investigated for these compounds at the surface of MGCE. Atomic force microscopy (AFM) was used for the characterization of the film modifier and its morphology on the surface of GCE. The results of the electrochemical investigations showed that CNPs, via a thin layer model based on the diffusion within a porous layer, enhanced the electroactive surface area and caused a remarkable increase in the peak currents. The thin layer of the modifier showed a catalytic effect and accelerated the rate of the electron transfer process. Application of the MGCE resulted in a sensitivity enhancement and a considerable decrease in the anodic overpotential, leading to negative shifts in peak potentials. An optimum electrochemical response was obtained for the sensor in the buffered solution of pH 7.0 and using 2 muL CNPs suspension cast on the surface of GCE. Using differential pulse voltammetry, the prepared sensor showed good sensitivity and selectivity for the determination of ACE and TRA in wide linear ranges of 0.1-100 and 10-1000 muM, respectively. The resulted detection limits for ACE and TRA was 0.05 and 1 muM, respectively. The CNPs modified GCE was successfully applied for ACE and TRA determinations in pharmaceutical dosage forms and also for the determination of ACE in human plasma.

  14. Megavoltage Image-Based Dynamic Multileaf Collimator Tracking of a NiTi Stent in Porcine Lungs on a Linear Accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Poulsen, Per R., E-mail: perpolse@rm.dk [Department of Oncology, Aarhus University Hospital, Aarhus (Denmark); Carl, Jesper; Nielsen, Jane; Nielsen, Martin S.; Thomsen, Jakob B. [Department of Medical Physics, Aalborg Hospital, University of Aarhus, Aalborg (Denmark); Jensen, Henrik K. [Department of Pulmonary Medicine, Aalborg Hospital, University of Aarhus, Aalborg (Denmark); Kjaergaard, Benedict; Zepernick, Peter R. [Department of Thoracic Surgery, Aalborg Hospital, University of Aarhus, Aalborg (Denmark); Worm, Esben; Fledelius, Walther [Department of Oncology, Aarhus University Hospital, Aarhus (Denmark); Cho, Byungchul [Department of Radiation Oncology, Asan Medical Center, University of Ulsan College of Medicine, Seoul (Korea, Republic of); Sawant, Amit [University of Texas Southwestern Medical Center, Dallas, TX (United States); Ruan, Dan [Department of Radiation Oncology, University of California-Los Angeles, Los Angeles, CA (United States); Keall, Paul J. [Department of Radiation Oncology, Stanford University, Stanford, CA (United States); Sydney Medical School, University of Sydney, Sydney, New South Wales (Australia)

    2012-02-01

    Purpose: To investigate the accuracy and potential limitations of MV image-based dynamic multileaf collimator (DMLC) tracking in a porcine model on a linear accelerator. Methods and Materials: A thermo-expandable NiTi stent designed for kilovoltage (kV) X-ray visualization of lung lesions was inserted into the bronchia of three anaesthetized Goettingen minipigs. A four-dimensional computed tomography scan was used for planning a five-field conformal treatment with circular multileaf collimator (MLC) apertures. A 22.5 Gy single fraction treatment was delivered to the pigs. The peak-to-peak stent motion was 3 to 8 mm, with breathing periods of 1.2 to 4 s. Before treatment, X-ray images were used for image-guided setup based on the stent. During treatment delivery, continuous megavoltage (MV) portal images were acquired at 7.5 Hz. The stent was segmented in the images and used for continuous adaptation of the MLC aperture. Offline, the tracking error in beam's eye view of the treatment beam was calculated for each MV image as the difference between the MLC aperture center and the segmented stent position. The standard deviations of the systematic error {Sigma} and the random error {sigma} were determined and compared with the would-be errors for a nontracking treatment with pretreatment image-guided setup. Results: Reliable stent segmentation was obtained for 11 of 15 fields. Segmentation failures occurred when image contrast was dominated by overlapping anatomical structures (ribs, diaphragm) rather than by the stent, which was designed for kV rather than MV X-ray visibility. For the 11 fields with reliable segmentation, {Sigma} was 0.5 mm/0.4 mm in the two imager directions, whereas {sigma} was 0.5 mm/1.1 mm. Without tracking, {Sigma} and {sigma} would have been 1.7 mm/1.4 mm and 0.8 mm/1.4 mm, respectively. Conclusion: For the first time, in vivo DMLC tracking has been demonstrated on a linear accelerator showing the potential for improved targeting accuracy

  15. Activation of glassy carbon electrodes by photocatalytic pretreatment

    Energy Technology Data Exchange (ETDEWEB)

    Dumanli, Onur [Department of Chemistry, Faculty of Science and Art, Ondokuz Mayis University, Kurupelit, 55139 Samsun (Turkey); Onar, A. Nur [Department of Chemistry, Faculty of Science and Art, Ondokuz Mayis University, Kurupelit, 55139 Samsun (Turkey)], E-mail: nonar@omu.edu.tr

    2009-11-01

    This paper describes a simple and rapid photocatalytic pretreatment procedure that removes contaminants from glassy carbon (GC) surfaces. The effectiveness of TiO{sub 2} mediated photocatalytic pretreatment procedure was compared to commonly used alumina polishing procedure. Cyclic voltammetric and chronocoulometric measurements were carried out to assess the changes in electrode reactivity by using four redox systems. Electrochemical measurements obtained on photocatalytically treated GC electrodes showed a more active surface relative to polished GC. In cyclic voltammograms of epinephrine, Fe(CN){sub 6}{sup 3-/4-} and ferrocene redox systems, higher oxidation and reduction currents were observed. The heterogeneous electron transfer rate constants (k{sup o}) were calculated for Fe(CN){sub 6}{sup 3-/4-} and ferrocene which were greater for photocatalytic pretreatment. Chronocoulometry was performed in order to find the amount of adsorbed methylene blue onto the electrode and was calculated as 0.34 pmol cm{sup -2} for photocatalytically pretreated GC. The proposed photocatalytic GC electrode cleansing and activating pretreatment procedure was more effective than classical alumina polishing.

  16. The chromium site in doped glassy lithium tetraborate

    Energy Technology Data Exchange (ETDEWEB)

    Kelly, T.D. [Department of Engineering Physics, Air Force Institute of Technology, 2950 Hobson Way, Wright Patterson Air Force Base, OH 45433 (United States); Echeverria, E.; Beniwal, Sumit [Department of Physics and Astronomy, 855 North 16th Street, Theodore Jorgensen Hall, University of Nebraska-Lincoln, Lincoln, NE 68588-0299 (United States); Adamiv, V.T.; Burak, Ya. V.; Enders, Axel [Institute of Physical Optics, 23 Dragomanov Street, Lviv 79005 (Ukraine); Petrosky, J.C.; McClory, J.W. [Department of Engineering Physics, Air Force Institute of Technology, 2950 Hobson Way, Wright Patterson Air Force Base, OH 45433 (United States); Dowben, P.A., E-mail: pdowben1@unl.edu [Department of Physics and Astronomy, 855 North 16th Street, Theodore Jorgensen Hall, University of Nebraska-Lincoln, Lincoln, NE 68588-0299 (United States)

    2014-10-15

    Using extended X-ray absorption fine structure (EXAFS) spectroscopy, we find that Cr substitutes primarily in the Li{sup +} site as a dopant in lithium tetraborate Li{sub 2}B{sub 4}O{sub 7} glasses, in this case 98.4Li{sub 2}B{sub 4}O{sub 7}–1.6Cr{sub 2}O{sub 3} or nominally Li{sub 1.98}Cr{sub 0.025}B{sub 4}O{sub 7}. This strong preference for a single site is nonetheless accompanied by site distortions and some site disorder, helping explain the optical properties of chromium doped Li{sub 2}B{sub 4}O{sub 7} glasses. The resulting O coordination shell has a contraction of the Cr–O bond lengths as compared to the Li–O bond lengths. There is also an increase in the O coordination number. - Graphical abstract: Lithium tetraborate: labeled are the B1 and B2 sites, where the latter correspond to BO{sub 3} and BO{sub 4} structures respectively. - Highlights: • Adoption of the Li + site for chromium dopants in lithium tetraborate identified. • Increased oxygen coordination for glass over the crystalline lithium tetraborate. • Distortions about the doping chromium characterized. • Local bond order is preserved in spite of the glassy nature.

  17. Glassy cell carcinoma of the cervix: a literature review.

    Science.gov (United States)

    Zolciak-Siwinska, A; Jonska-Gmyrek, J

    2014-08-01

    Glassy cell carcinoma (GCC) is a histologically aggressive subtype of cervical cancer with rapid growth and early metastases. The prognosis for patients with GCC is poor. This article reviews the literature pertinent to the epidemiology, cytology, pathology, immunohistochemistry, treatment and prognosis of GCC. MEDLINE (PubMed) was searched for all articles or abstracts on patients diagnosed with GCC published (in English) since the original definition by Glucksmann and Cherry, Cancer 1956;9:971. Accurate diagnosis of GCC enables implementation of the correct treatment strategy. Early-stage GCC should be treated with hysterectomy and pelvic lymph node dissection, with adjuvant radiochemotherapy if at least one intermediate or high risk factor for cervical cancer is present. Advanced GCC should be treated with neoadjuvant radiochemotherapy or chemotherapy with the aim of making the disease operable. There is a need for retrospective evaluation of GCC treatment from several centres to explore knowledge about this rare entity. Future studies should explore the role of targeted therapies and the most efficient chemotherapy regimen for the management of GCC.

  18. Accelerated Unification

    OpenAIRE

    Arkani-Hamed, Nima; Cohen, Andrew; Georgi, Howard

    2001-01-01

    We construct four dimensional gauge theories in which the successful supersymmetric unification of gauge couplings is preserved but accelerated by N-fold replication of the MSSM gauge and Higgs structure. This results in a low unification scale of $10^{13/N}$ TeV.

  19. The redundancy of NMR restraints can be used to accelerate the unfolding behavior of an SH3 domain during molecular dynamics simulations

    Directory of Open Access Journals (Sweden)

    Duclert-Savatier Nathalie

    2011-11-01

    Full Text Available 1 Abstract Background The simulation of protein unfolding usually requires recording long molecular dynamics trajectories. The present work aims to figure out whether NMR restraints data can be used to probe protein conformations in order to accelerate the unfolding simulation. The SH3 domain of nephrocystine (nph SH3 was shown by NMR to be destabilized by point mutations, and was thus chosen to illustrate the proposed method. Results The NMR restraints observed on the WT nph SH3 domain were sorted from the least redundant to the most redundant ones. Protein NMR conformations were then calculated with: (i the set full including all NMR restraints measured on nph SH3, (ii the set reduced where the least redundant restraints with respect to the set full were removed, (iii the sets random where randomly picked-up restraints were removed. From each set of conformations, we recorded series of 5-ns MD trajectories. The β barrel architecture of nph SH3 in the trajectories starting from sets (i and (iii appears to be stable. On the contrary, on trajectories based on the set (ii, a displacement of the hydrophobic core residues and a variation of the β barrel inner cavity profile were observed. The overall nph SH3 destabilization agrees with previous experimental and simulation observations made on other SH3 domains. The destabilizing effect of mutations was also found to be enhanced by the removal of the least redundant restraints. Conclusions We conclude that the NMR restraint redundancy is connected to the instability of the SH3 nph domain. This restraint redundancy generalizes the contact order parameter, which is calculated from the contact map of a folded protein and was shown in the literature to be correlated to the protein folding rate. The relationship between the NMR restraint redundancy and the protein folding is also reminiscent of the previous use of the Gaussian Network Model to predict protein folding parameters.

  20. TH-C-12A-09: Planning and Delivery of the Fully Dynamic Trajectory Modulated Arc Therapy: Application to Accelerated Partial Breast Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Liang, J; Atwood, T; Fahimian, B; Chin, E; Hristov, D [Department of Radiation Oncology, Stanford University, CA (United States); Otto, K [Department of Physics, University of British Columbia, BC (Canada)

    2014-06-15

    Purpose: A novel trajectory modulated arc therapy (TMAT) system was developed that uses source motion trajectory involving synchronized gantry rotation with translational and rotational couch movement. MLC motion and dose rate were fully optimized for dynamic beam delivery. This work presents a platform for planning deliverable TMAT on a collision free coronal trajectory and evaluates its benefit for accelerated partial breast irradiation (APBI) in a prone position. Methods: The TMAT algorithm was built on VMAT with modifications (physical properties on couch movement were defined) and enhancements (pencil beam dose calculation engine to support extended SSDs) to make it feasible for TMAT delivery. A Matlab software environment for TMAT optimization and dose calculation was created to allow any user specified motion axis. TMAT delivery was implemented on Varian TrueBeamTM STx via XML scripts. 10 prone breast irradiation cases were evaluated in VMAT and compared with a 6- field non-coplanar IMRT plan. Patient selection/exclusion criteria and structure contouring followed the guidelines of NSABP B-39/RTOG 0413 protocol. Results: TMAT delivery time was ∼4.5 minutes. 251.5°±7.88° of non-isocentric couch arc was achieved by the optimized trajectory with 180– 210 control points at 1°–2° couch increments. The improved dose distribution by TMAT was most clearly observed by the marked reduction in the volume of irradiated normal breast tissue in the high dose region. The ratios of the normal breast tissue volume receiving more than 50%, 80% and 100% of the prescription dose for TMAT versus IMRT were: V50%(TMAT/IMRT) = 78.38%±13.03%, V80%(TMAT/IMRT) = 44.19%±9.04% and V100% (TMAT/IMRT) = 9.96%±7.55%, all p≤0.01. Conclusion: The study is the first demonstration of planning and delivery implementation of a fully dynamic APBI TMAT system with continuous couch motion. TMAT achieved significantly improved dosimetry over noncoplanar IMRT on dose volume parameters

  1. Particle Accelerators in China

    Science.gov (United States)

    Zhang, Chuang; Fang, Shouxian

    As the special machines that can accelerate charged particle beams to high energy by using electromagnetic fields, particle accelerators have been widely applied in scientific research and various areas of society. The development of particle accelerators in China started in the early 1950s. After a brief review of the history of accelerators, this article describes in the following sections: particle colliders, heavy-ion accelerators, high-intensity proton accelerators, accelerator-based light sources, pulsed power accelerators, small scale accelerators, accelerators for applications, accelerator technology development and advanced accelerator concepts. The prospects of particle accelerators in China are also presented.

  2. Fabrication of Ni-Nb-Sn metallic glassy alloy powder and its microwave-induced sintering behavior.

    Science.gov (United States)

    Xie, Guoqiang; Li, Song; Louzguine-Luzgin, D V; Cao, Ziping; Yoshikawa, Noboru; Sato, Motoyasu; Inoue, Akihisa

    2009-01-01

    In the present study, we prepared Ni59.35Nb34.45Sn6.2 metallic glassy alloy powder by an argon gas atomization process. Microwave (MW)-induced heating and sintering was carried out by a single-mode 2.45 GHz MW applicator in the separated magnetic field or electric field using the obtained glassy powders. The structure and thermal stability of the sintered glassy alloy specimens were investigated.

  3. MUON ACCELERATION

    Energy Technology Data Exchange (ETDEWEB)

    BERG,S.J.

    2003-11-18

    One of the major motivations driving recent interest in FFAGs is their use for the cost-effective acceleration of muons. This paper summarizes the progress in this area that was achieved leading up to and at the FFAG workshop at KEK from July 7-12, 2003. Much of the relevant background and references are also given here, to give a context to the progress we have made.

  4. Laser acceleration

    Science.gov (United States)

    Tajima, T.; Nakajima, K.; Mourou, G.

    2017-02-01

    The fundamental idea of Laser Wakefield Acceleration (LWFA) is reviewed. An ultrafast intense laser pulse drives coherent wakefield with a relativistic amplitude robustly supported by the plasma. While the large amplitude of wakefields involves collective resonant oscillations of the eigenmode of the entire plasma electrons, the wake phase velocity ˜ c and ultrafastness of the laser pulse introduce the wake stability and rigidity. A large number of worldwide experiments show a rapid progress of this concept realization toward both the high-energy accelerator prospect and broad applications. The strong interest in this has been spurring and stimulating novel laser technologies, including the Chirped Pulse Amplification, the Thin Film Compression, the Coherent Amplification Network, and the Relativistic Mirror Compression. These in turn have created a conglomerate of novel science and technology with LWFA to form a new genre of high field science with many parameters of merit in this field increasing exponentially lately. This science has triggered a number of worldwide research centers and initiatives. Associated physics of ion acceleration, X-ray generation, and astrophysical processes of ultrahigh energy cosmic rays are reviewed. Applications such as X-ray free electron laser, cancer therapy, and radioisotope production etc. are considered. A new avenue of LWFA using nanomaterials is also emerging.

  5. Particle acceleration around SNR shocks

    Energy Technology Data Exchange (ETDEWEB)

    Morlino, G., E-mail: morlino@arcetri.astro.it [INAF-Osservatorio Astrofisico di Arcetri, Largo E. Fermi, 5, 50125 Firenze (Italy)

    2013-08-21

    We review the basic features of particle acceleration theory around collisionless shocks in supernova remnants (SNRs). We show how non-linear effects induced by the back reaction of accelerated particles onto the shock dynamics are of paramount importance to support the hipotesys that SNRs are the factories of Galactic cosmic rays. Recent developments in the modeling of the mechanism of diffusive shock acceleration are discussed, with emphasis on the role of magnetic field amplification and the presence of neutrals in the circumstellar environment. Special attention will be devoted to observational consequences of non-linear effects on the multi-wavelength spectrum of SNRs, with emphasis on X-ray and gamma-ray emission. Finally we also discuss how Balmer lines, detected from several young SNRs, can be used to estimate the shock dynamical properties and the efficiency of CR acceleration.

  6. Particle acceleration around SNR shocks

    CERN Document Server

    Morlino, Giovanni

    2012-01-01

    We review the basic features of particle acceleration theory around collisionless shocks in supernova remnants (SNRs). We show how non linear effects induced by the back reaction of accelerated particles onto the shock dynamics are of paramount importance to support the hipotesys that SNRs are the factories of Galactic cosmic rays. Recent developments in the modeling of the mechanism of diffusive shock acceleration are discussed, with emphasis on the role of magnetic field amplification and the presence of neutrals in the circumstellar environment. Special attention will be devoted to observational consequences of non linear effects on the multi-wavelength spectrum of SNRs, with emphasis on X-ray and gamma-ray emission. Finally we also discuss how Balmer lines, detected from several young SNRs, can be used to estimate the shock dynamical properties and the efficiency of CR acceleration.

  7. Accelerators and the Accelerator Community

    Energy Technology Data Exchange (ETDEWEB)

    Malamud, Ernest; Sessler, Andrew

    2008-06-01

    In this paper, standing back--looking from afar--and adopting a historical perspective, the field of accelerator science is examined. How it grew, what are the forces that made it what it is, where it is now, and what it is likely to be in the future are the subjects explored. Clearly, a great deal of personal opinion is invoked in this process.

  8. Formation of oxygen complexes in controlled atmosphere at surface of doped glassy carbon

    Indian Academy of Sciences (India)

    Aleksandra A Perić-Grujić; Tatjana M Vasiljević; Olivera M Nešković; Miomir V Veljković; Zoran V Laušević; Mila D Laušević

    2006-10-01

    The effects of boron and phosphorus incorporation in phenolic resin precursor to the oxidation resistance of glassy carbon have been studied. In order to reveal the nature and composition of the oxygen complexes formed at the surface of doped glassy carbon, under controlled atmosphere, the surface of the samples was cleaned under vacuum up to 1273 K. Specific functional groups, subsequently formed under dry CO2 or O2 atmosphere on the surface of boron-doped and phosphorus-doped glassy carbon samples, were examined using the temperature-programmed desorption method combined with mass spectrometric analysis. Characterization of surface properties of undoped and doped samples has shown that in the presence of either boron or phosphorus heteroatoms, a lower amount of oxygen complexes formed after CO2 exposure, while, typically, higher amount of oxygen complexes formed after O2 exposure. It has been concluded that the surface of undoped glassy carbon has a greater affinity towards CO2, while in the presence of either boron or phosphorus heteroatoms, the glassy carbon surface affinity becomes greater towards O2, under experimental conditions.

  9. accelerating cavity

    CERN Multimedia

    On the inside of the cavitytThere is a layer of niobium. Operating at 4.2 degrees above absolute zero, the niobium is superconducting and carries an accelerating field of 6 million volts per metre with negligible losses. Each cavity has a surface of 6 m2. The niobium layer is only 1.2 microns thick, ten times thinner than a hair. Such a large area had never been coated to such a high accuracy. A speck of dust could ruin the performance of the whole cavity so the work had to be done in an extremely clean environment.

  10. Impact accelerations

    Science.gov (United States)

    Vongierke, H. E.; Brinkley, J. W.

    1975-01-01

    The degree to which impact acceleration is an important factor in space flight environments depends primarily upon the technology of capsule landing deceleration and the weight permissible for the associated hardware: parachutes or deceleration rockets, inflatable air bags, or other impact attenuation systems. The problem most specific to space medicine is the potential change of impact tolerance due to reduced bone mass and muscle strength caused by prolonged weightlessness and physical inactivity. Impact hazards, tolerance limits, and human impact tolerance related to space missions are described.

  11. Glassy carbon electrodes modified with multiwalled carbon nanotubes for the determination of ascorbic acid by square-wave voltammetry

    Directory of Open Access Journals (Sweden)

    Sushil Kumar

    2012-05-01

    Full Text Available Multiwalled carbon nanotubes were used to modify the surface of a glassy carbon electrode to enhance its electroactivity. Nafion served to immobilise the carbon nanotubes on the electrode surface. The modified electrode was used to develop an analytical method for the analysis of ascorbic acid (AA by square-wave voltammetry (SWV. The oxidation of ascorbic acid at the modified glassy carbon electrode showed a peak potential at 315 mV, about 80 mV lower than that observed at the bare (unmodified electrode. The peak current was about threefold higher than the response at the bare electrode. Replicate measurements of peak currents showed good precision (3% rsd. Peak currents increased with increasing ascorbic acid concentration (dynamic range = 0.0047–5.0 mmol/L and displayed good linearity (R2 = 0.994. The limit of detection was 1.4 μmol/L AA, while the limit of quantitation was 4.7 μmol/L AA. The modified electrode was applied to the determination of the amount of ascorbic acid in four brands of commercial orange-juice products. The measured content agreed well (96–104% with the product label claim for all brands tested. Recovery tests on spiked samples of orange juice showed good recovery (99–104%. The reliability of the SWV method was validated by conducting parallel experiments based on high-performance liquid chromatography (HPLC with absorbance detection. The observed mean AA contents of the commercial orange juice samples obtained by the two methods were compared statistically and were found to have no significant difference (P = 0.05.

  12. Study of electrical properties of glassy Se100–Te alloys

    Indian Academy of Sciences (India)

    N Mehta; A Dwivedi; R Arora; S Kumar; A Kumar

    2005-10-01

    Temperature and frequency dependence of a.c. conductivity have been studied in glassy Se100–Te ( = 10, 20 and 30) over different range of temperatures and frequencies. An agreement between experimental and theoretical results suggests that the a.c. conductivity behaviour of selenium–tellurium system (Se100–Te) can be successfully explained by correlated barrier hopping (CBH) model. The density of defect states has been determined using this model for all the glassy alloys. The results show that bipolaron hopping dominates over single-polaron hopping in this glassy system. This is explained in terms of lower values of the maximum barrier height for single-polaron hopping. The values of density of charged defect states increase with increase in Te concentration. This is in agreement with our previous results obtained from SCLC measurements.

  13. A magnetic glassy phase in Fe(1+y)Se(x)Te(1-x) single crystals.

    Science.gov (United States)

    Lamura, G; Shiroka, T; Bonfà, P; Sanna, S; Bernardini, F; De Renzi, R; Viennois, R; Giannini, E; Piriou, A; Emery, N; Cimberle, M R; Putti, M

    2013-04-17

    The evolution of magnetic order in Fe1+ySexTe1-x crystals as a function of Se content was investigated by means of ac/dc magnetometry and muon-spin spectroscopy. Experimental results and self-consistent density functional theory calculations both indicate that muons are implanted in vacant iron-excess sites, where they probe a local field mainly of dipolar origin, resulting from an antiferromagnetic (AFM) bicollinear arrangement of iron spins. This long-range AFM phase becomes progressively disordered with increasing Se content. At the same time all the tested samples manifest a marked glassy character that vanishes for high Se contents. The presence of local electronic/compositional inhomogeneities most likely favours the growth of clusters whose magnetic moment 'freezes' at low temperature. This glassy magnetic phase justifies both the coherent muon precession seen at short times in the asymmetry data, as well as the glassy behaviour evidenced by both dc and ac magnetometry.

  14. Spectroscopic ellipsometric and Raman spectroscopic investigations of pulsed laser treated glassy carbon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Csontos, J., E-mail: jcsontos@titan.physx.u-szeged.hu [University of Szeged, Department of Optics and Quantum Electronics, Dóm tér 9, H-6720 Szeged (Hungary); Pápa, Z.; Gárdián, A. [University of Szeged, Department of Optics and Quantum Electronics, Dóm tér 9, H-6720 Szeged (Hungary); Füle, M. [University of Szeged, Department of Experimental Physics, Dóm tér 9, H-6720 Szeged (Hungary); Budai, J. [University of Szeged, Department of Optics and Quantum Electronics, Dóm tér 9, H-6720 Szeged (Hungary); Toth, Z. [University of Szeged, Department of Optics and Quantum Electronics, Dóm tér 9, H-6720 Szeged (Hungary); University of Szeged, Department of Oral Biology and Experimental Dental Research, Tisza Lajos krt. 64, H-6720 Szeged (Hungary)

    2015-05-01

    Highlights: • Laser treatment modifies the top layer of glassy carbon as shown by ellipsometry. • Raman signal is composed from signals of the layer and the glassy carbon substrate. • Using volumetric fluence allows to compare the effects of different lasers. • Melting effects of glassy carbon was observed in case of Nd:YAG laser treatment. - Abstract: In this study spectroscopic ellipsometry (SE) and Raman spectroscopy are applied to study structural modification of glassy carbon, due to high intensity laser ablation. Two KrF lasers with different pulse durations (480 fs and 18 ns), an ArF (20 ns), and a frequency doubled Nd:YAG laser (8 ns) were applied to irradiate the surface of glassy carbon targets. The main characteristics of the different laser treatments are compared by introducing the volumetric fluence which takes into account the different absorption values at different wavelengths. SE showed the appearance of a modified layer on the ablated surfaces. In the case of the ns lasers the thickness of this layer was in the range of 10–60 nm, while in the case of fs laser it was less than 20 nm. In all cases the average refractive index (n) of the modified layers slightly decreased compared to the refractive index of glassy carbon. Increase in extinction coefficient (k) was observed in the cases of ArF and fs KrF laser treatment, while the k values decreased significantly in the cases of nanosecond pulse duration KrF and Nd:YAG laser treatments. In the Raman spectra of the ablated areas the characteristic D and G peaks were widened due to appearance of an amorphous phase. Both Raman spectroscopy and SE indicate that the irradiated areas show carbon nanoparticle formation in all cases.

  15. Ultrahigh performance of Ti-based glassy alloy tube sensor for Coriolis mass flowmeter

    Institute of Scientific and Technical Information of China (English)

    MA Chao-li; A. INOUE; ZHANG Tao

    2006-01-01

    Bulk metallic glasses (BMGs) have potential applications for both structural and functional components owing to their good mechanical properties. With the aim of demonstrating great engineering value of BMGs, a direct melt-forming technique based on suction casting for the production of glassy alloy tubes was developed. The fabrication, structure, geometry, properties and sensor performance of the tubes were examined. The results show that the Coriolis mass flowmeters using the Ti-based glassy alloy sensor tube exhibit excellent measurement sensitivity, viz. 28.5 times higher than that of the conventional flowmeter manufactured using stainless steel (SUS316) tube.

  16. Fabrication and Investigation of Intermetallic Compound-Glassy Phase Composites having Tensile Ductility

    Science.gov (United States)

    2012-08-09

    with Mg-Y-Cu BGA, MgY phase also has a cP2 B2 structure), Mg-Y-Ag (AgMg phase also has a cP2 B2 structure and is ductile) and Y-Cu-Zn and some other...result were obtained is connected with cP2 TiNi phase which demonstrates martensitic transformations. Choice of alloys and sample preparation...1. The tentative compositions at which bulk glassy phase formation and possible formation of cP2 crystal-glassy composites are Cu-Y (starting from

  17. Effects of xylem-sap composition on glassy-winged sharpshooter egg maturation on high and low quality host plants

    Science.gov (United States)

    Glassy-winged sharpshooters must feed as adults to produce mature eggs. Cowpea and sunflower are both readily accepted by the glassy-winged sharpshooter for feeding, but egg production on sunflower was reported to be lower than egg production on cowpea. To better understand the role of adult diet in...

  18. Preface: Special Issue on Structure in Glassy and Jammed Systems

    Science.gov (United States)

    Royall, C. Patrick; Speck, Thomas

    2016-05-01

    This special issue presents new developments in our understanding of the role of structure in dynamical arrest and jamming. Articles highlight local geometric motifs and other forms of amorphous order, in experiment, computer simulation and theory.

  19. Glassy-winged sharpshooter oviposition effects on foliar grapevine and red-tipped photinia terpenoid levels

    Science.gov (United States)

    The glassy-winged sharpshooter (GWSS), Homalodisca vitripennis (Germar) (Hemiptera: Cicadellidae), is an important vector of Xylella fastidiosa, the bacterium that causes Pierce's disease of grapevine and is a threat to grape production throughout the United States. Female GWSS deposit egg masses be...

  20. Glassy-winged sharpshooter oviposition effects on photinia volatile chemistry with implications on egg parasitoid effectiveness

    Science.gov (United States)

    An effective way to limit incidence of Pierce’s disease of grapevine is to reduce populations of glassy-winged sharpshooter (GWSS), Homalodisca vitripennis (Germar) (Hemiptera: Cicadellidae), which transmit the causal bacterium, Xylella fastidiosa. One strategy is to utilize egg parasitoids such as ...

  1. Glassy-winged sharpshooter can use a mechanical mechanism to inoculate Xylella fastidiosa into grapevines

    Science.gov (United States)

    Xylem-feeding leafhoppers such as the glassy-winged sharpshooter, Homalodisca vitripennis (Cicadellidae: Cicadellinae), are thought to inoculate the bacterium Xylella fastidiosa (Xf) from colonies bound to cuticle of the sharpshooter’s functional foregut (precibarium and cibarium). The mechanism of ...

  2. Gas Permeation Related to the Moisture Sorption in Films of Glassy Hydrophilic Polymers

    NARCIS (Netherlands)

    Laksmana, F. L.; Kok, P. J. A. Hartman; Frijlink, H. W.; Vromans, H.; Maarschalk, K. Van Der Voort

    2010-01-01

    The purpose of this article is to elucidate the effect of integral sorption of moisture on gas permeation in glassy hydrophilic polymers. The oxygen and the simultaneous moisture sorption into various hydroxypropyl methylcellulose (HPMC) films were measured under a wide range of relative humidities

  3. Modification of glassy carbon surfaces by atmospheric pressure cold plasma torch

    DEFF Research Database (Denmark)

    Mortensen, Henrik Junge; Kusano, Yukihiro; Leipold, Frank

    2006-01-01

    The effect of plasma treatment on glassy carbon (GC) surfaces was studied with adhesion improvement in mind. A newly constructed remote plasma source was used to treat GC plates. Pure He and a dilute NH3/He mixture were used as feed gases. Optical emission spectroscopy was performed for plasma to...

  4. Physical ageing in the above-bandgap photoexposured glassy arsenic selenides

    Energy Technology Data Exchange (ETDEWEB)

    Kozdras, A [Faculty of Physics of Opole University of Technology, 75, Ozimska str., Opole, PL-45370 (Poland); Golovchak, R [Lviv Scientific Research Institute of Materials of SRC ' Carat' , 202, Stryjska str., Lviv, UA-79031 (Ukraine); Shpotyuk, O [Lviv Scientific Research Institute of Materials of SRC ' Carat' , 202, Stryjska str., Lviv, UA-79031 (Ukraine)

    2007-08-15

    Physical ageing induced by above-bandgap light illumination is studied in glassy As-Se using differential scanning calorimetry. It is shown that measurable effect like to known short-term physical ageing is observed only in Se-rich glasses. The kinetics of this effect is compared with that caused by natural storage in a dark.

  5. Linear response in aging glassy systems, intermittency and the Poisson statistics of record fluctuations

    DEFF Research Database (Denmark)

    Sibani, Paolo

    2007-01-01

    We study the intermittent behavior of the energy decay and the linear magnetic response of a glassy system during isothermal aging after a deep thermal quench, using the Edward-Anderson spin glass model as a paradigmatic example. The large intermittent changes in the two observables occur...

  6. Kinetics of phase transformation of carbon nanotubes containing Se85Te10Ag5 glassy composites

    Science.gov (United States)

    Upadhyay, A. N.; Singh, Kedar

    2016-12-01

    Carbon nanotubes (CNTs) containing glassy composites [(Se85Te10Ag5)100-X(CNT)X] (X = 0, 3 and 5) have been prepared by the melt-quenching technique. The differential scanning calorimetry (DSC) technique was used to study changes in the kinetics of phase transformations of [(Se85Te10Ag5)100-X(CNT)X] (X = 0, 3 and 5) after the incorporation of CNTs under non-isothermal conditions at different heating rates (5, 10, 15 and 20 K min-1). The calculated values of the activation energy of crystallization (E c) and the Avrami index (n) decrease whereas the activation energy of the glass transition (E g) increases for CNTs containing glass composites; such effects are explained on the basis of effective CNTs mediating through a cross-link with the pure-Se85Te10Ag5 glassy matrix. The superiority of the CNT-Se85Te10Ag5 glassy composite over the pure glassy alloy have also been briefly mentioned in regard to electrical, thermal and mechanical properties at room temperature.

  7. Dielectric relaxation in glassy Se75In25−Pb alloys

    Indian Academy of Sciences (India)

    J Sharma; S Kumar

    2010-03-01

    In this paper we report the effect of Pb incorporation in the dielectric properties of a-Se75In25 glassy alloy. The temperature and frequency dependence of the dielectric constants and the dielectric losses in glassy Se75In25−Pb ( = 0, 5, 10 and 15) alloys in the frequency range (1 kHz–5 MHz) and temperature range (300–340 K) have been measured. A detailed analysis shows that the dielectric losses are dipolar in nature and can be understood in terms of hopping of charge carriers over a potential barrier as suggested by Elliott for the case of chalcogenide glasses. It has been found that both dielectric constant and the dielectric loss are highly dependent on frequency and temperature and also found to increase with increasing concentration of Pb in binary a-Se 75 In 25 glassy system. The results have been interpreted in terms of increase in the density of defect states by the incorporation of Pb as a metallic additive in the aforesaid glassy system.

  8. Formulation of thermodynamics for the glassy state : Configurational energy as a modest source of energy

    NARCIS (Netherlands)

    Nieuwenhuizen, T.M.

    2001-01-01

    Glass is an under-cooled liquid that very slowly relaxes towards the equilibrium crystalline state. Its energy balance is ill understood, since it is widely believed that the glassy state cannot be described thermodynamically. However, the classical paradoxes involving the Ehrenfest relations and Pr

  9. Charge recombination kinetics and protein dynamics in wild type and carotenoid-less bacterial reaction centers: studies in trehalose glasses.

    Science.gov (United States)

    Francia, Francesco; Malferrari, Marco; Sacquin-Mora, Sophie; Venturoli, Giovanni

    2009-07-30

    The coupling between electron transfer and protein dynamics has been investigated in reaction centers (RCs) from the wild type (wt) and the carotenoid-less strain R26 of the photosynthetic bacterium Rhodobacter sphaeroides. Recombination kinetics between the primary photoreduced quinone acceptor (QA-) and photoxidized donor (P+) have been analyzed at room temperature in RCs incorporated into glassy trehalose matrices of different water/sugar ratios. As previously found in R26 RCs, also in the wt RC, upon matrix dehydration, P+QA- recombination accelerates and becomes broadly distributed, reflecting the inhibition of protein relaxation from the dark-adapted to the light-adapted conformation and the hindrance of interconversion between conformational substates. While in wet trehalose matrices (down to approximately one water per trehalose molecule) P+QA- recombination kinetics are essentially coincident in wt and R26 RCs, more extensive dehydration leads to two-times faster and more distributed kinetics in the carotenoid-containing RC, indicating a stronger inhibition of the internal protein dynamics in the wt RC. Coarse-grained Brownian dynamics simulations performed on the two RC structures reveal a markedly larger flexibility of the R26 RC, showing that a rigid core of residues, close to the quinone acceptors, is specifically softened in the absence of the carotenoid. These experimental and computational results concur to indicate that removal of the carotenoid molecule has long-range effects on protein dynamics and that the structural/dynamical coupling between the protein and the glassy matrix depends strongly upon the local mechanical properties of the protein interior. The data also suggest that the conformational change stabilizing P+QA- is localized around the QA binding pocket.

  10. Fixed-Field Alternating-Gradient Accelerators

    CERN Document Server

    Sheehy, S L

    2016-01-01

    These notes provide an overview of Fixed-Field Alternating-Gradient (FFAG) accelerators for medical applications. We begin with a review of the basic principles of this type of accelerator, including the scaling and non-scaling types, highlighting beam dynamics issues that are of relevance to hadron ac- celerators. The potential of FFAG accelerators in the field of hadron therapy is discussed in detail, including an overview of existing medical FFAG designs. The options for FFAG treatment gantries are also considered.

  11. Ice cloud processing of ultra-viscous/glassy aerosol particles leads to enhanced ice nucleation ability

    Directory of Open Access Journals (Sweden)

    R. Wagner

    2012-09-01

    Full Text Available The ice nucleation potential of airborne glassy aqueous aerosol particles has been investigated by controlled expansion cooling cycles in the AIDA aerosol and cloud chamber of the Karlsruhe Institute of Technology at temperatures between 247 and 216 K. Four different solutes were used as proxies for oxygenated organic matter found in the atmosphere: raffinose, 4-hydroxy-3-methoxy-DL-mandelic acid (HMMA, levoglucosan, and a multi-component mixture of raffinose with five dicarboxylic acids and ammonium sulphate. Similar to previous experiments with citric acid aerosols, all particles were found to nucleate ice heterogeneously before reaching the homogeneous freezing threshold provided that the freezing cycles were started well below the respective glass transition temperatures of the compounds; this is discussed in detail in a separate article. In this contribution, we identify a further mechanism by which glassy aerosols can promote ice nucleation below the homogeneous freezing limit. If the glassy aerosol particles are probed in freezing cycles started only a few degrees below their respective glass transition temperatures, they enter the liquid regime of the state diagram upon increasing relative humidity (moisture-induced glass-to-liquid transition before being able to act as heterogeneous ice nuclei. Ice formation then only occurs by homogeneous freezing at elevated supersaturation levels. When ice forms the remaining solution freeze concentrates and re-vitrifies. If these ice cloud processed glassy aerosol particles are then probed in a second freezing cycle at the same temperature, they catalyse ice formation at a supersaturation threshold between 5 and 30% with respect to ice. By analogy with the enhanced ice nucleation ability of insoluble ice nuclei like mineral dusts after they nucleate ice once, we refer to this phenomenon as pre-activation. We propose a number of possible explanations for why glassy aerosol particles that have re

  12. Ice cloud processing of ultra-viscous/glassy aerosol particles leads to enhanced ice nucleation ability

    Science.gov (United States)

    Wagner, R.; Möhler, O.; Saathoff, H.; Schnaiter, M.; Skrotzki, J.; Leisner, T.; Wilson, T. W.; Malkin, T. L.; Murray, B. J.

    2012-09-01

    The ice nucleation potential of airborne glassy aqueous aerosol particles has been investigated by controlled expansion cooling cycles in the AIDA aerosol and cloud chamber of the Karlsruhe Institute of Technology at temperatures between 247 and 216 K. Four different solutes were used as proxies for oxygenated organic matter found in the atmosphere: raffinose, 4-hydroxy-3-methoxy-DL-mandelic acid (HMMA), levoglucosan, and a multi-component mixture of raffinose with five dicarboxylic acids and ammonium sulphate. Similar to previous experiments with citric acid aerosols, all particles were found to nucleate ice heterogeneously before reaching the homogeneous freezing threshold provided that the freezing cycles were started well below the respective glass transition temperatures of the compounds; this is discussed in detail in a separate article. In this contribution, we identify a further mechanism by which glassy aerosols can promote ice nucleation below the homogeneous freezing limit. If the glassy aerosol particles are probed in freezing cycles started only a few degrees below their respective glass transition temperatures, they enter the liquid regime of the state diagram upon increasing relative humidity (moisture-induced glass-to-liquid transition) before being able to act as heterogeneous ice nuclei. Ice formation then only occurs by homogeneous freezing at elevated supersaturation levels. When ice forms the remaining solution freeze concentrates and re-vitrifies. If these ice cloud processed glassy aerosol particles are then probed in a second freezing cycle at the same temperature, they catalyse ice formation at a supersaturation threshold between 5 and 30% with respect to ice. By analogy with the enhanced ice nucleation ability of insoluble ice nuclei like mineral dusts after they nucleate ice once, we refer to this phenomenon as pre-activation. We propose a number of possible explanations for why glassy aerosol particles that have re-vitrified in contact

  13. Ice cloud processing of ultra-viscous/glassy aerosol particles leads to enhanced ice nucleation ability

    Directory of Open Access Journals (Sweden)

    B. J. Murray

    2012-04-01

    Full Text Available The ice nucleation potential of airborne glassy aqueous aerosol particles has been investigated by controlled expansion cooling cycles in the AIDA aerosol and cloud chamber of the Karlsruhe Institute of Technology at temperatures between 247 and 216 K. Four different solutes were used as proxies for oxygenated organic matter found in the atmosphere: raffinose, 4-hydroxy-3-methoxy-DL-mandelic acid (HMMA, levoglucosan, and a multi-component mixture of raffinose with five dicarboxylic acids and ammonium sulphate. Similar to previous experiments with citric acid aerosols, all particles were found to nucleate ice heterogeneously before reaching the homogeneous freezing threshold provided that the freezing cycles were started well below the respective glass transition temperatures of the compounds; this is discussed in detail in a separate article. In this contribution, we identify a further mechanism by which glassy aerosols can promote ice nucleation below the homogeneous freezing limit. If the glassy aerosol particles are probed in freezing cycles started only a few degrees below their respective glass transition temperatures, they enter the liquid regime of the state diagram upon increasing relative humidity (moisture-induced glass-to-liquid transition before being able to act as heterogeneous ice nuclei. Ice formation then only occurs by homogeneous freezing at elevated supersaturation levels. When ice forms the remaining solution freeze concentrates and re-vitrifies. If these ice cloud processed glassy aerosol particles are then probed in a second freezing cycle at the same temperature, they catalyse ice formation at a supersaturation threshold between 5 and 30% with respect to ice. By analogy with the enhanced ice nucleation ability of insoluble ice nuclei like mineral dusts after they nucleate ice once, we refer to this phenomenon as pre-activation. We propose a number of possible explanations for why glassy aerosols that have re-vitrified in

  14. Annealing effects on the migration of ion-implanted cadmium in glassy carbon

    Science.gov (United States)

    Hlatshwayo, T. T.; Sebitla, L. D.; Njoroge, E. G.; Mlambo, M.; Malherbe, J. B.

    2017-03-01

    The migration behaviour of cadmium (Cd) implanted into glassy carbon and the effects of annealing on radiation damage introduced by ion implantation were investigated. The glassy carbon substrates were implanted with Cd at a dose of 2 × 1016 ions/cm2 and energy of 360 keV. The implantation was performed at room temperature (RT), 430 °C and 600 °C. The RT implanted samples were isochronally annealed in vacuum at 350, 500 and 600 °C for 1 h and isothermally annealed at 350 °C up to 4 h. The as-implanted and annealed samples were characterized by Raman spectroscopy and Rutherford backscattering spectrometry (RBS). Raman results revealed that implantation at room temperature amorphized the glassy carbon structure while high temperature implantations resulted in slightly less radiation damage. Isochronal annealing of the RT implanted samples resulted in some recrystallization as a function of increasing temperature. The original glassy carbon structure was not achieved at the highest annealing temperature of 600 °C. Diffusion of Cd in glassy carbon was already taking place during implantation at 430 °C. This diffusion of Cd was accompanied by significant loss from the surface during implantation at 600 °C. Isochronal annealing of the room temperature implanted samples at 350 °C for 1 h caused Cd to diffuse towards the bulk while isothermal annealing at 500 and 600 °C resulted in the migration of implanted Cd toward the surface accompanied by a loss of Cd from the surface. Isothermal annealing at 350 °C for 1 h caused Cd to diffuse towards the bulk while for annealing time >1 h Cd diffused towards the surface. These results were interpreted in terms of trapping and de-trapping of implanted Cd by radiation damage.

  15. Position and velocity estimation through acceleration measurements

    OpenAIRE

    Estrada, Antonio; Efimov, Denis; Perruquetti, Wilfrid

    2014-01-01

    International audience; This paper proposes a solution to the problem of velocity and position estimation for a class of oscillating systems whose position, velocity and acceleration are zero mean signals. The proposed scheme considers that the dynamic model of the system is unknown and only noisy acceleration measurements are available.

  16. Radiative damping in plasma-based accelerators

    Science.gov (United States)

    Kostyukov, I. Yu.; Nerush, E. N.; Litvak, A. G.

    2012-11-01

    The electrons accelerated in a plasma-based accelerator undergo betatron oscillations and emit synchrotron radiation. The energy loss to synchrotron radiation may seriously affect electron acceleration. The electron dynamics under combined influence of the constant accelerating force and the classical radiation reaction force is studied. It is shown that electron acceleration cannot be limited by radiation reaction. If initially the accelerating force was stronger than the radiation reaction force, then the electron acceleration is unlimited. Otherwise the electron is decelerated by radiative damping up to a certain instant of time and then accelerated without limits. It is shown that regardless of the initial conditions the infinite-time asymptotic behavior of an electron is governed by a self-similar solution providing that the radiative damping becomes exactly equal to 2/3 of the accelerating force. The relative energy spread induced by the radiative damping decreases with time in the infinite-time limit. The multistage schemes operating in the asymptotic acceleration regime when electron dynamics is determined by the radiation reaction are discussed.

  17. Deformation behavior of metallic glass composites reinforced with shape memory nanowires studied via molecular dynamics simulations

    Science.gov (United States)

    Şopu, D.; Stoica, M.; Eckert, J.

    2015-05-01

    Molecular dynamics simulations indicate that the deformation behavior and mechanism of Cu64Zr36 composite structures reinforced with B2 CuZr nanowires are strongly influenced by the martensitic phase transformation and distribution of these crystalline precipitates. When nanowires are distributed in the glassy matrix along the deformation direction, a two-steps stress-induced martensitic phase transformation is observed. Since the martensitic transformation is driven by the elastic energy release, the strain localization behavior in the glassy matrix is strongly affected. Therefore, the composite materials reinforced with a crystalline phase, which shows stress-induced martensitic transformation, represent a route for controlling the properties of glassy materials.

  18. Electron Cloud Effects in Accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Furman, M.A.

    2012-11-30

    Abstract We present a brief summary of various aspects of the electron-cloud effect (ECE) in accelerators. For further details, the reader is encouraged to refer to the proceedings of many prior workshops, either dedicated to EC or with significant EC contents, including the entire ?ECLOUD? series [1?22]. In addition, the proceedings of the various flavors of Particle Accelerator Conferences [23] contain a large number of EC-related publications. The ICFA Beam Dynamics Newsletter series [24] contains one dedicated issue, and several occasional articles, on EC. An extensive reference database is the LHC website on EC [25].

  19. Electron Cloud Effects in Accelerators

    CERN Document Server

    Furman, M A

    2013-01-01

    We present a brief summary of various aspects of the electron-cloud effect (ECE) in accelerators. For further details, the reader is encouraged to refer to the proceedings of many prior workshops, either dedicated to EC or with significant EC contents, including the entire "ECLOUD" series [122]. In addition, the proceedings of the various flavors of Particle Accelerator Conferences [23] contain a large number of EC-related publications. The ICFA Beam Dynamics Newsletter series [24] contains one dedicated issue, and several occasional articles, on EC. An extensive reference database is the LHC website on EC [25].

  20. 2nd European Advanced Accelerator Concepts Workshop

    CERN Document Server

    Assmann, Ralph; Grebenyuk, Julia

    2016-01-01

    The European Advanced Accelerator Concepts Workshop has the mission to discuss and foster methods of beam acceleration with gradients beyond state of the art in operational facilities. The most cost effective and compact methods for generating high energy particle beams shall be reviewed and assessed. This includes diagnostics methods, timing technology, special need for injectors, beam matching, beam dynamics with advanced accelerators and development of adequate simulations. This workshop is organized in the context of the EU-funded European Network for Novel Accelerators (EuroNNAc2), that includes 52 Research Institutes and universities.

  1. Effects of molecular architecture on fluid ingress behavior of glassy polymer networks

    Science.gov (United States)

    Jaskson, Matthew Blaine

    This manuscript demonstrates the synthesis of glassy polymer network isomers to control morphological variations and study solvent ingress behavior independent of chemical affinity. Well-controlled network architectures with varying free volume average hole-sizes have been shown to substantially influence solvent ingress within glassy polymer networks. Bisphenol-A diglycidyl ether (DGEBA), bisphenol-F diglycidyl ether (DGEBF), Triglycidyl p-aminophenol (pAP, MY0510), Triglycidyl maminophenol (mAP, MY0610), and tetraglydicyl-4,4'-diamino-diphenyl methane (TGDDM, MY721) were cured with 3,3'- and 4,4'-diaminodiphenyl sulfone (DDS) at a stoichiometric ratio of 1:1 oxirane to amine active hydrogen to generate a series of network architectures with an average free volume hole-size (Vh) ranging between 54-82 A3. Polymer networks were exposed to water and a broad range of organic solvents ranging in van der Waals (vdW) volumes from 18-88 A3 for up to 10,000h time. A clear relationship between glassy polymer network Vh and fluid penetration has been established. As penetrant vdW volume approached Vh, uptake kinetics significantly decreased, and as penetrant vdW volume exceeded Vh, a blocking mechanism dominated ingress and prevented penetrant transport. These results suggest that reducing the free volume hole-size is a reasonable approach to control solvent properties for glassy polymer networks. New techniques to monitor and predict the diffusion behavior of liquids through glassy networks are also presented. Digital Image Correlation (DIC) was employed to accurately measure the strain developed during case II diffusion. This technique also presented a new theory for a relationship between sample topology and irreversible macroscopic brittle failure induced by solvent absorption. A new modeling technique has been developed which can accurately predict the chemical and physical interactions a solvent may have with a glassy network. This new model can be used as a

  2. Acceleration schedules for a recirculating heavy-ion accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Sharp, W.M.; Grote, D.P.

    2002-05-01

    Recent advances in solid-state switches have made it feasible to design programmable, high-repetition-rate pulsers for induction accelerators. These switches could lower the cost of recirculating induction accelerators, such as the ''small recirculator'' at Lawrence Livermore National Laboratory (LLNL), by substantially reducing the number of induction modules. Numerical work is reported here to determine what effects the use of fewer pulsers at higher voltage would have on the beam quality of the LLNL small recirculator. Lattices with different numbers of pulsers are examined using the fluid/envelope code CIRCE, and several schedules for acceleration and compression are compared for each configuration. For selected schedules, the phase-space dynamics is also studied using the particle-in-cell code WARP3d.

  3. Community Petascale Project for Accelerator Science and Simulation: Advancing Computational Science for Future Accelerators and Accelerator Technologies

    Energy Technology Data Exchange (ETDEWEB)

    Spentzouris, P.; /Fermilab; Cary, J.; /Tech-X, Boulder; McInnes, L.C.; /Argonne; Mori, W.; /UCLA; Ng, C.; /SLAC; Ng, E.; Ryne, R.; /LBL, Berkeley

    2011-11-14

    The design and performance optimization of particle accelerators are essential for the success of the DOE scientific program in the next decade. Particle accelerators are very complex systems whose accurate description involves a large number of degrees of freedom and requires the inclusion of many physics processes. Building on the success of the SciDAC-1 Accelerator Science and Technology project, the SciDAC-2 Community Petascale Project for Accelerator Science and Simulation (ComPASS) is developing a comprehensive set of interoperable components for beam dynamics, electromagnetics, electron cooling, and laser/plasma acceleration modelling. ComPASS is providing accelerator scientists the tools required to enable the necessary accelerator simulation paradigm shift from high-fidelity single physics process modeling (covered under SciDAC1) to high-fidelity multiphysics modeling. Our computational frameworks have been used to model the behavior of a large number of accelerators and accelerator R&D experiments, assisting both their design and performance optimization. As parallel computational applications, the ComPASS codes have been shown to make effective use of thousands of processors. ComPASS is in the first year of executing its plan to develop the next-generation HPC accelerator modeling tools. ComPASS aims to develop an integrated simulation environment that will utilize existing and new accelerator physics modules with petascale capabilities, by employing modern computing and solver technologies. The ComPASS vision is to deliver to accelerator scientists a virtual accelerator and virtual prototyping modeling environment, with the necessary multiphysics, multiscale capabilities. The plan for this development includes delivering accelerator modeling applications appropriate for each stage of the ComPASS software evolution. Such applications are already being used to address challenging problems in accelerator design and optimization. The ComPASS organization

  4. Boundary conditions for soft glassy flows: slippage and surface fluidization.

    Science.gov (United States)

    Mansard, Vincent; Bocquet, Lydéric; Colin, Annie

    2014-09-28

    We explore the question of surface boundary conditions for the flow of a dense emulsion. We make use of microlithographic tools to create surfaces with well controlled roughness patterns and measure using dynamic confocal microscopy both the slip velocity and the shear rate close to the wall, which we relate to the notion of surface fluidization. Both slippage and wall fluidization depend non-monotonously on the roughness. We interpret this behavior within a simple model in terms of the building of a stratified layer and the activation of plastic events by the surface roughness.

  5. Glassy cell carcinoma of the uterine cervix a rare histology. Report of three cases with a review of the literature

    Directory of Open Access Journals (Sweden)

    Deshpande Archana

    2004-01-01

    Full Text Available Glassy cell carcinoma is a poorly differentiated variant of adenosquamous carcinoma of the cervix associated with an aggressive course and a poor prognosis. We present three cases of glassy cell carcinoma of the cervix. Patients presented with a cervical growth which was biopsied. Histology the tumours showed nests of cells with a granular or clear cytoplasm, displaying marked pleomorphism and mitoses. Stroma showed an eosinophilic infiltrate. Two tumours showed a pure glassy cell pattern and one showed glandular differentiation with intracellular and extracellular mucin. Patients were treated with a combination of surgery, radiotherapy and chemotherapy but showed a poor response. Two patients died of the disease of pelvic or distant metastases within two years of diagnosis and one was lost to follow up. Although glassy cell carcinoma runs an aggressive clinical course, an early diagnosis may help in a more effective management and offer a better prognosis.

  6. Grapevines respond to glassy-winged sharpshooter (Homalodisca vitripennis) oviposition by increasing local and systemic terpenoid levels

    Science.gov (United States)

    Grapevines (Vitis vinifera) have been observed to respond to oviposition by glassy-winged sharpshooters [Homalodisca vitripennis (Germar)(Hemiptera: Cicadellidae)] by producing volatile compounds that attract egg parasitoids such as Gonatocerus ashmeadi Girault (Hymenoptera: Mymaridae). Recent work ...

  7. Compensation Techniques in Accelerator Physics

    Energy Technology Data Exchange (ETDEWEB)

    Sayed, Hisham Kamal [Old Dominion Univ., Norfolk, VA (United States)

    2011-05-01

    Accelerator physics is one of the most diverse multidisciplinary fields of physics, wherein the dynamics of particle beams is studied. It takes more than the understanding of basic electromagnetic interactions to be able to predict the beam dynamics, and to be able to develop new techniques to produce, maintain, and deliver high quality beams for different applications. In this work, some basic theory regarding particle beam dynamics in accelerators will be presented. This basic theory, along with applying state of the art techniques in beam dynamics will be used in this dissertation to study and solve accelerator physics problems. Two problems involving compensation are studied in the context of the MEIC (Medium Energy Electron Ion Collider) project at Jefferson Laboratory. Several chromaticity (the energy dependence of the particle tune) compensation methods are evaluated numerically and deployed in a figure eight ring designed for the electrons in the collider. Furthermore, transverse coupling optics have been developed to compensate the coupling introduced by the spin rotators in the MEIC electron ring design.

  8. Amperometric uric acid biosensor based on poly(vinylferrocene)-gelatin-carboxylated multiwalled carbon nanotube modified glassy carbon electrode.

    Science.gov (United States)

    Erden, Pınar Esra; Kaçar, Ceren; Öztürk, Funda; Kılıç, Esma

    2015-03-01

    In this study, a new uric acid biosensor was constructed based on ferrocene containing polymer poly(vinylferrocene) (PVF), carboxylated multiwalled carbon nanotubes (c-MWCNT) and gelatin (GEL) modified glassy carbon electrode (GCE). Uricase enzyme (UOx) was immobilized covalently through N-ethyl-N'-(3-dimethyaminopropyl) carbodiimide (EDC) and N-hydroxyl succinimide (NHS) chemistry onto c-MWCNT/GEL/PVF/GCE. The c-MWCNT/GEL/PVF composite was characterized by scanning electron microscopy, cyclic voltammetry and electrochemical impedance spectroscopy. Various experimental parameters such as pH, applied potential, enzyme loading, PVF and c-MWCNT concentration were investigated in detail. Under the optimal conditions the dynamic linear range of uric acid was 2.0×10(-7) M-7.1×10(-4) M (R=0.9993) with the detection limit low to 2.3×10(-8) M. With good selectivity and sensitivity, the biosensor was successfully applied to determine the uric acid in human serum. The results of the biosensor were in good agreement with those obtained from standard method. Therefore, the presented biosensor could be a good promise for practical applications in real samples.

  9. Amperometric detection of carbohydrates based on the glassy carbon electrode modified with gold nano-flake layer

    Directory of Open Access Journals (Sweden)

    Huy Du Nguyen

    2015-09-01

    Full Text Available An electro-deposition approach was established to incorporate the gold nano-flakes onto the glassy carbon electrode in electrochemical cells (nano-Au/GC/ECCs. Using pulsed amperometric detection (PAD without any gold oxidation for cleaning (non-oxidative PAD, the nano-Au/GC/ECCs were able to maintain their activity for oxidizing of carbohydrates in a normal alkaline medium. The reproducibility of peak area was about 2 relative standard deviation (RSD,% for 6 consecutive injections. A dynamic range of carbohydrates was obtained over a concentration range of 5–80 mg L−1 and the limits of detection (LOD were of 2 mg L−1 for fructose and lactose and 1 mg L−1 for glucose and galactose. Moreover, the nano-Au/GC/ECC using the non-oxidative PAD was able to combine with the internal standard method for determination of lactose in fresh cow milk sample.

  10. Study of the ion-channel behavior on glassy carbon electrode supported bilayer lipid membranes stimulated by perchlorate anion

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zhiquan; Shi, Jun; Huang, Weimin, E-mail: huangwm@jlu.edu.cn

    2015-10-01

    In this paper, a kind of didodecyldimethylammonium bromide (DDAB) layer membranes was supported on a glassy carbon electrode (GCE). We studied the ion channel behavior of the supported bilayer lipid membrane by scanning electrochemical microscopy (SCEM) in tris(2,2′-bipyridine) ruthenium(II) solution. Perchlorate anion was used as a presence of stimulus and ruthenium(II) complex cations as the probing ions for the measurement of SECM, the lipid membrane channel was opened and exhibited the behavior of distinct SECM positive feedback curve. The channel was in a closed state in the absence of perchlorate anions while reflected the behavior of SECM negative feedback curve. The rates of electron transfer reaction in the lipid membranes surface were detected and it was dependant on the potential of SECM. - Highlights: • The rates of electron transfer reaction in the lipid membranes surface were detected. • Dynamic investigations of ion-channel behavior of supported bilayer lipid membranes by scanning electrochemical microscopy • A novel way to explore the interaction between molecules and supported bilayer lipid membranes.

  11. Elastic Properties of 4–6 nm-thick Glassy Carbon Thin Films

    Directory of Open Access Journals (Sweden)

    Lee H

    2009-01-01

    Full Text Available Abstract Glassy carbon is a disordered, nanoporous form of carbon with superior thermal and chemical stability in extreme environments. Freestanding glassy carbon specimens with 4–6 nm thickness and 0.5 nm average pore size were synthesized and fabricated from polyfurfuryl alcohol precursors. Elastic properties of the specimens were measured in situ inside a scanning electron microscope using a custom-built micro-electro-mechanical system. The Young’s modulus, fracture stress and strain values were measured to be about 62 GPa, 870 MPa and 1.3%, respectively; showing strong size effects compared to a modulus value of 30 GPa at the bulk scale. This size effect is explained on the basis of the increased significance of surface elastic properties at the nanometer length-scale.

  12. Different glassy states, as indicated by a violation of the generalized Cauchy relation

    Energy Technology Data Exchange (ETDEWEB)

    Krueger, J K [Laboratoire Europeen de Recherche Universitaire Saarland-Lorraine (LERUSL), Universitaet des Saarlandes, Fakultaet fuer Physik und Elektrotechnik 7.2, Gebaeude 38, D-66041 Saarbruecken (Germany); Britz, T [Laboratoire Europeen de Recherche Universitaire Saarland-Lorraine (LERUSL), Universitaet des Saarlandes, Fakultaet fuer Physik und Elektrotechnik 7.2, Gebaeude 38, D-66041 Saarbruecken (Germany); Coutre, A le [Laboratoire Europeen de Recherche Universitaire Saarland-Lorraine (LERUSL), Universitaet des Saarlandes, Fakultaet fuer Physik und Elektrotechnik 7.2, Gebaeude 38, D-66041 Saarbruecken (Germany); Baller, J [Laboratoire Europeen de Recherche Universitaire Saarland-Lorraine (LERUSL), Universitaet des Saarlandes, Fakultaet fuer Physik und Elektrotechnik 7.2, Gebaeude 38, D-66041 Saarbruecken (Germany); Possart, W [Universitaet des Saarlandes, Fakultaet fuer Chemie, Pharmazie und Werkstoffwissenschaften 8.15, Gebaeude 22, D-66041 Saarbruecken (Germany); Alnot, P [Laboratoire Europeen de Recherche Universitaire Saarland-Lorraine (LERUSL), Universitaet des Saarlandes, Fakultaet fuer Physik und Elektrotechnik 7.2, Gebaeude 38, D-66041 Saarbruecken (Germany); Sanctuary, R [Centre Universitaire de Luxembourg, Departement des Sciences, Laboratoire 1.19, 162a Avenue de la Faiencerie, L-1511, Luxembourg (Luxembourg)

    2003-07-01

    Using Brillouin spectroscopy as a probe for high-frequency clamped acoustic properties, a shear modulus c{sub 44}{sup {infinity}} can be measured in addition to the longitudinal modulus c{sub 11}{sup {infinity}} already well above the thermal glass transition. On slow cooling of the liquid through the thermal glass transition temperature T{sub g}, both moduli show a kink-like behaviour and the function c{sub 11}{sup {infinity}} = c{sub 11}{sup {infinity}}(c{sub 44}{sup {infinity}}) follows a generalized Cauchy relation (gCR) defined by the linear relation c{sub 11}{sup {infinity}} = 3c{sub 44}{sup {infinity}} + constant, which completely hides the glass transition. In this work we show experimentally that on fast cooling this linear transformation becomes violated within the glassy state, but that thermal ageing drives the elastic coefficients towards the gCR, i.e. towards a unique glassy state.

  13. Soft-ferromagnetic bulk glassy alloys with large magnetostriction and high glass-forming ability

    Directory of Open Access Journals (Sweden)

    Jiawei Li

    2011-12-01

    Full Text Available The effect of Dy addition on the glass-forming ability (GFA, magnetostriction as well as soft-magnetic properties and fracture strength in FeDyBSiNb glassy alloys was investigated. In addition to the increase of supercooled liquid region from 55 to 100 K, the addition of Dy is effective in approaching alloy to an eutectic point and increasing the saturation magnetostrction (λs. Accordingly, bulk glassy alloy (BGA rods with diameters up to 4 mm were produced, which exhibit a large λs as high as 65×10-6. Besides, the BGA system exhibits superhigh fracture strength of 4000 MPa, combined with good soft-magnetic properties.

  14. Connection between NMR and electrical conductivity in glassy chalcogenide fast ionic conductors

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K.H.

    1995-11-01

    The work documented in this thesis follows the traditional order. In this chapter a general discussion of ionic conduction and of glassy materials are followed by a brief outline of the experimental techniques for the investigation of fast ionic conduction in glassy materials, including NMR and impedance spectroscopy techniques. A summary of the previous and present studies is presented in the last section of this introductory chapter. The details of the background theory and models are found in the Chapter II, followed by the description of the experimental details in Chapter III. Chapter IV of the thesis describes the experimental results and the analysis of the experimental observations followed by the conclusions in chapter V.

  15. Characterization of superconducting magnesium-diboride films on glassy carbon and sapphire substrates

    Energy Technology Data Exchange (ETDEWEB)

    Andrade, E.; Zavala, E. P. [Instituto de Fisica, UNAM, Apartado Postal 20-364, 01000 Mexico D. F. (Mexico); Rocha, M. F. [Escuela Superior de Ingenieria Mecanica y Electrica, IPN, Mexico D. F. (Mexico); Jergel, M.; Falcony, C. [Departamento de Fisica, CINVESTAV-IPN, Apartado postal 14-740, 07000 Mexico D. F. (Mexico)

    2008-02-15

    IBA methods were applied to measure elemental depth profiles of precursors and superconducting MgB{sub 2} thin films deposited on glassy carbon (Good Fellows) and sapphire (Al{sub 2}O{sub 3}) substrates. For each type of substrates we obtained a pair of samples i.e. one amorphous precursor and one superconducting film which were then characterized. A 3{sup H}e{sup +} beam was used to bombard both, precursors and superconducting films in order to obtain the samples elemental composition profiles. The zero resistance T{sub co} and the middle of transition T{sub cm} values were 26.0 K and 29.7 K for the MgB{sub 2} film deposited on glassy carbon substrate. In the case of sapphire substrate the T{sub co} and T{sub cm} values were 25.0 K and 27.9 K, respectively. (Author)

  16. Unraveling the Mechanism of Nanoscale Mechanical Reinforcement in Glassy Polymer Nanocomposites.

    Science.gov (United States)

    Cheng, Shiwang; Bocharova, Vera; Belianinov, Alex; Xiong, Shaomin; Kisliuk, Alexander; Somnath, Suhas; Holt, Adam P; Ovchinnikova, Olga S; Jesse, Stephen; Martin, Halie; Etampawala, Thusitha; Dadmun, Mark; Sokolov, Alexei P

    2016-06-08

    The mechanical reinforcement of polymer nanocomposites (PNCs) above the glass transition temperature, Tg, has been extensively studied. However, not much is known about the origin of this effect below Tg. In this Letter, we unravel the mechanism of PNC reinforcement within the glassy state by directly probing nanoscale mechanical properties with atomic force microscopy and macroscopic properties with Brillouin light scattering. Our results unambiguously show that the "glassy" Young's modulus in the interfacial polymer layer of PNCs is two-times higher than in the bulk polymer, which results in significant reinforcement below Tg. We ascribe this phenomenon to a high stretching of the chains within the interfacial layer. Since the interfacial chain packing is essentially temperature independent, these findings provide a new insight into the mechanical reinforcement of PNCs also above Tg.

  17. Collective excitations in liquid and glassy 3-methylpentane

    KAUST Repository

    Benassi, Paola

    2015-09-28

    We present a detailed investigation of the terahertz vibrational dynamics of 3-methylpentane performed by means of high-resolution inelastic x-ray scattering (IXS). We probe the dynamics in a large temperature range, which includes the glass, the supercooled liquid, and the liquid phases. The characteristic frequency of the excitations follows a well-defined dispersion curve extending beyond 8nm−1 at all the investigated temperatures, indicating the persistence of a solidlike behavior also in the liquid phase. This implies the existence of a pseudo-Brillouin zone whose size compares surprisingly well with the periodicity inferred from the first sharp diffraction peak in the static structure factor. We show that, in the investigated temperature range, both sizes undergo a variation of about 15%–20%, comparable to that of the average intermolecular distance. We finally show that the IXS sound velocity coincides with the infinite frequency sound velocity previously inferred from visible and ultraviolet Brillouin spectroscopy data. This analysis confirms the role of the shear relaxation processes in determining the variation with frequency of the apparent sound velocity.

  18. Electrochemical behaviour of platinum at polymer-modified glassy carbon electrodes

    Indian Academy of Sciences (India)

    Carmem L P S Zanta; C A Martínez-Huitle

    2007-07-01

    In this paper, the preparations and voltammetric characteristics of chitosan-modified glassy carbon (Ct-MGC) and platinum electrodes are studied. Ct-MGC can be used for pre-concentration and quantification of trace amounts of platinum in solution. At low pH medium, the complex of Pt with protonated group -NH3+ in the chitosan molecule has been confirmed by FT-IR spectra studies.

  19. Dacitic glassy lava flow from Trlično at Rogatec, Eastern Slovenia

    Directory of Open Access Journals (Sweden)

    Polona Kralj

    2002-06-01

    Full Text Available Glassy lava from Trlično is dacitic in composition and developed by incomplete mixing of two magmas of similar composition but different degree of groundmass crystallinity.By laminar lava flow banded texture developed consisting of bands with different magma types. Abundance of major and trace elements is within the variation range for dacites. Comparison with the Smrekovec andesites in Northern Slovenia indicates that the rocks do not originate from the same volcanic complex, displaced by tectonic activity.

  20. Layer-by-layer Assembly of Noble Metal Nanoparticles on Glassy Carbon Electrode

    Institute of Scientific and Technical Information of China (English)

    CHEN Da; ZHENG Long-Zhen

    2008-01-01

    Silver,gold,platinum and palladium nanoparticles were initially prepared in the AOT[sodium bis(2-ethylhexyl)-sulfosuccinate]micelle and characterized by ultraviolet-visible spectroscopy,transmission electron macroscopy,X-ray diffraction,Fourier transform-infrared spectroscopy,and zeta potential analysis.The negatively charged Pt nanoparticles were self-assembled on a glassy carbon electrode by a layer-by-layer method and the modified electrode electrocatalytic reactivity toward methanol oxidation was studied.

  1. Preconcentration and electroanalysis of copper at glassy carbon electrode modified with poly(2-aminothiazole)

    OpenAIRE

    Çiftçi, Hakan; Testereci, Hasan Nur; Öktem, Zeki

    2011-01-01

    Conducting poly(2-aminothiazole), PAT, was synthesized in acetonitrile with tetrabutylammonium tetrafluoroborate, TBAFB, as supporting electrolyte via constant potential electrolysis, CPE. Glassy carbon, GC, electrode was modified by immersing the electrode in a DMSO solution of PAT. Preconcentration of copper on polymer matrix was carried out at -0.7 V. The effects of preconcentration time and pH and Cu(II) concentration of the preconcentration solution on the stripping peak current of coppe...

  2. Solute induced relaxation in glassy polymers: Experimental measurements and nonequilibrium thermodynamic model

    Energy Technology Data Exchange (ETDEWEB)

    Minelli, Matteo; Doghieri, Ferruccio [Dipartimento di Ingegneria Civile, Chimica, Ambientale e dei Materiali (DICAM), Centro Interdipartimentale per la Ricerca Industriale - Meccanica Avanzata e Materiali (CIRI-MAM), Alma Mater Studiorum - Università di Bologna, via Terracini 28 - (Italy)

    2014-05-15

    Data for kinetics of mass uptake from vapor sorption experiments in thin glassy polymer samples are here interpreted in terms of relaxation times for volume dilation. To this result, both models from non-equilibrium thermodynamics and from mechanics of volume relaxation contribute. Different kind of sorption experiments have been considered in order to facilitate the direct comparison between kinetics of solute induced volume dilation and corresponding data from process driven by pressure or temperature jumps.

  3. Solution and Diffusion Behavior of Pure Gases and Gas Mixtures in Glassy Polymer Membranes

    Institute of Scientific and Technical Information of China (English)

    庄震万; 卫伟; 时钧

    1994-01-01

    A general model for the solution and diffusion behavior in pure gas-polymer membrane systems and gas mixture-polymer membrane systems has been developed. Proved by experiments on different glassy and rubbery polymer membranes at various temperatures and pressures, this model can achieve the prediction of permeation behavior of pure gases and gas mixtures in polymer membranes only using the model parameters obtained from experiments on pure gases. The calculated results are in good agreement with experimental.

  4. A neutron-X-ray, NMR and calorimetric study of glassy Probucol synthesized using containerless techniques

    Energy Technology Data Exchange (ETDEWEB)

    Weber, J.K.R., E-mail: rweber@anl.gov [Materials Development, Inc., Arlington Heights, IL 60004 (United States); Argonne National Laboratory, Argonne, IL 60439 (United States); Benmore, C.J. [Argonne National Laboratory, Argonne, IL 60439 (United States); Department of Physics, Arizona State University, AZ 85287 (United States); Tailor, A.N.; Tumber, S.K. [Materials Development, Inc., Arlington Heights, IL 60004 (United States); Neuefeind, J. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Cherry, B. [Magnetic Resonance Research Center, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Yarger, J.L. [Department of Physics, Arizona State University, AZ 85287 (United States); Magnetic Resonance Research Center, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Mou, Q. [Magnetic Resonance Research Center, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Weber, W. [Department of Physics, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Byrn, S.R. [Department of Industrial and Physical Pharmacy, Purdue University, IN 47907 (United States)

    2013-10-16

    Highlights: • Acoustic levitation was used to make phase-pure glassy forms of pharmaceutical compounds. • Neutrons, X-rays and NMR were used to characterize the glasses. • The glass comprised of slightly distorted molecules packed in a random network. • Potential for new drug synthesis routes is discussed. - Abstract: Acoustic levitation was used to trap 1–3 mm diameter drops of Probucol and other pharmaceutical materials in containerless conditions. Samples were studied in situ using X-ray diffraction and ex situ using neutron diffraction, NMR and DSC techniques. The materials were brought into non-equilibrium states by supersaturating solutions or by supercooling melts. The glass transition and crystallization temperatures of glassy Probucol were 29 ± 1 and 71 ± 1 °C respectively. The glassy form was stable with a shelf life of at least 8 months. A neutron/X-ray difference function of the glass showed that while molecular sub-groups remain rigid, many of the hydrogen correlations observed in the crystal become smeared out in the disordered material. The glass is principally comprised of slightly distorted Form I Probucol molecules with disordered packing rather than large changes in the individual molecular structure. Avoiding surface contact-induced nucleation provided access to highly non-equilibrium phases and enabled synthesis of phase-pure glasses.

  5. Hydrogen Isotopes of Glassy and Phyllosilicate Spherules in Al Rais (CR) and Orgueil (CI) Chondrites

    Institute of Scientific and Technical Information of China (English)

    GUAN Yunbin; Michael E. ZOLENSKY

    2004-01-01

    The hydroxyl in phyllosilicate minerals is the most common occurrence of water in primitive meteorites.Direct hydrogen isotopic analysis of this water component using an ion microprobe has been made in some glassy or phyllosilicate spherules from the Al Rais (CR) and Orgueil (CI) chondrites. The spherules from Al Rais show large deuterium excesses (δD = +200 - +800) relative to terrestrial standards, whereas deuterium-enrichments in the spherules from Orgueil are much smaller (δD = +40 - +130‰). The phyllosilicate spherules are products of aqueous alteration of glassy precursors. In A1 Rais the phyllosilicate spherules have relatively higher δD values than the glassy ones, indicating that water introduced during aqueous alteration was deuterium-enriched. The deuterium-enrichments in the phyllosilicate spherules from Orgueil could result from isotopic exchange under thermodynamic conditions within the solar nebula. The much larger δD excesses of the Al Rais spherules, however, cannot be attributed to the similar process;instead, an interstellar origin needs to be invoked.

  6. Thermal and elastic characterization of glassy carbon thin films by photoacoustic measurements

    Science.gov (United States)

    Markushev, D. D.; Ordonez-Miranda, J.; Rabasović, M. D.; Chirtoc, M.; Todorović, D. M.; Bialkowski, S. E.; Korte, D.; Franko, M.

    2017-01-01

    A portable photoacoustic device is designed and applied to measure thermal diffusivity and linear thermal expansion coefficient of glassy carbon by means of the standard photoacoustic model involving both the thermal diffusion and thermoelastic contributions. This is done by measuring the evolution of the open-cell photoacoustic signal within the modulation frequency interval of 20 Hz-10 kHz, for four samples with thicknesses of 180μm, 140μm, 100μm, and 60μm. A proper fitting procedure of the theoretical amplitude and phase to their corresponding experimental counterparts yielded an average thermal diffusivity of 0.68mm^2·s^-1 and expansion coefficient of 4.3× 10^{-6} K-1 which are in good agreement with their values reported in the literature for glassy carbon. Furthermore, we demonstrate that the theoretical amplitude does not properly describe the thermoelastic behavior of the samples thinner than l ≤ 100 μm, due to their strong bending and vibrations driven by the highly disordered fullerene microstructure of glassy carbon followed by the increasing non-homogeneity effects violating 1D heat conduction.

  7. Potentiometric application of boron- and phosphorus-doped glassy carbon electrodes

    Directory of Open Access Journals (Sweden)

    ZORAN V. LAUSEVIC

    2001-03-01

    Full Text Available Acomparative study was carried out of the potentiometric application of boronand phosphorus-doped and undoped glassy carbon samples prepared at the same heat treatment temperature (HTT 1000°C. The electrochemical activities of the obtained electrode materials were investigated on the example of argentometric titrations. It was found that the electrochemical behaviour of the doped glassy carbon samples are very similar to a Sigri (undoped glassy carbon sample (HTT 2400°C. The experiments showed that the potentiometric response depends on the polarization mode, the nature of the sample, the pretreatment of the electrode surface, and the nature of the supporting electrolyte. The amounts of iodide, bromide, and of chloridewere determined to be 1.27 mg, 0.80 mg and 0.54 mg, respectively, with a maximum relative standard deviation of less than 1.1%. The obtained results are in good agreement with the results of comparative potentiometric titrations using a silver indicator electrode. The titrationmethod was applied to the indirect determination of pyridoxine hydrochloride, i.e., vitamin B6.

  8. Direct electron transfer from glucose oxidase immobilized on a nano-porous glassy carbon electrode

    Energy Technology Data Exchange (ETDEWEB)

    Haghighi, Behzad, E-mail: haghighi@iasbs.ac.ir [Department of Chemistry, Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, Gava Zang, Zanjan (Iran, Islamic Republic of); Tabrizi, Mahmoud Amouzadeh [Department of Chemistry, Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, Gava Zang, Zanjan (Iran, Islamic Republic of)

    2011-11-30

    Highlights: > A direct electron transfer reaction of glucose oxidase was observed on the surface of a nano-porous glassy carbon electrode. > A pair of well-defined and reversible redox peaks was observed at the formal potential of approximately -0.439 V. > The apparent electron transfer rate constant was measured to be 5.27 s{sup -1}. > A mechanism for the observed direct electron transfer reaction was proposed, which consists of a two-electron and a two-proton transfer. - Abstract: A pair of well-defined and reversible redox peaks was observed for the direct electron transfer (DET) reaction of an immobilized glucose oxidase (GOx) on the surface of a nano-porous glassy carbon electrode at the formal potential (E{sup o}') of -0.439 V versus Ag/AgCl/saturated KCl. The electron transfer rate constant (k{sub s}) was calculated to be 5.27 s{sup -1}. The dependence of E{sup o}' on pH indicated that the direct electron transfer of the GOx was a two-electron transfer process, coupled with two-proton transfer. The results clearly demonstrate that the nano-porous glassy carbon electrode is a cost-effective and ready-to-use scaffold for the fabrication of a glucose biosensor.

  9. Microwave enhanced electroanalysis of formulations: processes in micellar media at glassy carbon and at platinum electrodes.

    Science.gov (United States)

    Ghanem, Mohamed A; Compton, Richard G; Coles, Barry A; Canals, Antonio; Marken, Frank

    2005-10-01

    The direct electroanalysis of complex formulations containing alpha-tocopherol (vitamin E) is possible in micellar solution and employing microwave-enhanced voltammetry. In the presence of microwave radiation substantial heating and current enhancement effects have been observed at 330 microm diameter glassy carbon electrodes placed into a micellar aqueous solution and both hydrophilic and highly hydrophobic redox systems are detected. For the water soluble Fe(CN)(6)(3-/4-) redox system in micellar aqueous solutions of 0.1 M NaCl and 0.1 M sodium dodecylsulfate (SDS) at low to intermediate microwave power, thermal effects and convection effects are observed. At higher microwave power, thermal cavitation is induced and dominates the mass transport at the electrode surface. For the micelle-soluble redox systems tert-butylferrocene and 2,5-di-tert-butyl-1,4-benzoquinone, strong and concentration dependent current responses are observed only in the presence of microwave radiation. For the oxidation of micelle-soluble alpha-tocopherol current responses at glassy carbon electrodes are affected by adsorption and desorption processes whereas at platinum electrodes, analytical limiting currents are obtained over a wide range of alpha-tocopherol concentrations. However, for the determination of alpha-tocopherol in a commercial formulation interference from proteins is observed at platinum electrodes and direct measurements are possible only over a limited concentration range and at glassy carbon electrodes.

  10. Shear Banding of Soft Glassy Materials in Large Amplitude Oscillatory Shear

    Science.gov (United States)

    Radhakrishnan, Rangarajan; Fielding, Suzanne M.

    2016-10-01

    We study shear banding in soft glassy materials subject to a large amplitude oscillatory shear flow (LAOS). By numerical simulations of the widely used soft glassy rheology model, supplemented by more general physical arguments, we demonstrate strong banding over an extensive range of amplitudes and frequencies of the imposed shear rate γ ˙(t )=γ˙0cos (ω t ), even in materials that do not permit banding as their steady state response to a steadily imposed shear flow γ ˙=γ˙0=const. Highly counterintuitively, banding persists in LAOS even in the limit of zero frequency ω →0 , where one might a priori have expected a homogeneous flow response in a material that does not display banding under conditions of steadily imposed shear. We explain this finding in terms of an alternating competition within each cycle between glassy aging and flow rejuvenation. Our predictions have far-reaching implications for the flow behavior of aging yield stress fluids, suggesting a generic expectation of shear banding in flows of even arbitrarily slow time variation.

  11. Phase separation in dense glassy liquids: effect of quenching protocols

    Science.gov (United States)

    Chaudhuri, Pinaki; Horbach, Jürgen

    2016-08-01

    Extensive molecular dynamics simulations are used to investigate the phase separation kinetics in a glass-forming binary Lennard-Jones mixture. The focus is on the two-phase region at low temperatures (i.e. below the glass transition line), where coexistence between a low-density gas with a metastable amorphous solid, i.e. a glass occurs. Two different quench paths are chosen to get into the two-phase region starting from a structurally homogeneous state, one along which temperature is lowered at a fixed density, and in the other case, the volume is expanded to reach lower densities at fixed temperatures. Both paths are explored by tuning the rates of cooling or expansion, respectively. We analyze thermodynamic and structural properties of the phase-separating systems, in particular with respect to differences in the morphologies that are obtained from the different quench protocols.

  12. Development of Glassy Carbon Blade for LHC Fast Vacuum Valve

    CERN Document Server

    Coly, P

    2012-01-01

    An unexpected gas inrush in a vacuum chamber leads to the development of a fast pressure wave. It carries small particles that can compromise functionality of sensitive machine systems such as the RF cavities or kickers. In the LHC machine, it has been proposed to protect this sensitive equipment by the installation of fast vacuum valves. The main requirements for the fast valves and in particular for the blade are: fast closure in the 20 ms range, high transparency and melting temperature in case of closure with beam in, dust free material to not contaminate sensitive adjacent elements, and last but not least vacuum compatibility and adequate leak tightness across the blade. In this paper, different designs based on a vitreous carbon blade are presented and a solution is proposed. The main reasons for this material choice are given. The mechanical study of the blade behaviour under dynamic forces is shown.

  13. Molecular dynamics in liquid and glassy states of non-steroidal anti-inflammatory drug: ketoprofen.

    Science.gov (United States)

    Sailaja, U; Shahin Thayyil, M; Krishna Kumar, N S; Govindaraj, G

    2013-05-13

    Ketoprofen is a well known nonsteroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic effects. It acts by inhibiting the body's production of prostaglandin. The molecular mobility of amorphous ketoprofen has been investigated by broadband dielectric spectroscopy (BDS) covering wide temperature and frequency range. Multiple relaxation processes were observed. Besides the primary α-relaxation, one secondary relaxation, γ-have been identified. The γ-process visible in the dielectric spectra at very low temperature is non-JG relaxation, and has an activation energy E=37.91 kJ/mol typical for local mobility. Based on Ngai's coupling model smaller n or a larger Kohlrausch exponent (1-n) of the α-relaxation associated with larger τβ (Tg). In the case of ketoprofen we conclude that the secondary relaxation (β) emerging from intermolecular motions, is hidden under the dominant α-peak. The temperature dependence of the relaxation time of the α-process can be described over the entire measured range by a single Vogel-Fulcher-Tammann (VFT) equation. From VFT fits, the glass transition temperature (Tg) was estimated as 267.07 K, and a fragility or steepness index m=86.57 was calculated, showing that ketoprofen is a fragile glass former. Our differential scanning calorimetry (DSC) study shows that ketoprofen is a non-crystallizing compound. To confirm the hydrogen bond patterns of ketoprofen FTIR spectroscopy was applied in both crystalline and amorphous phases. Solubility test performed at 37 °C proved that amorphous phase is more soluble than the crystalline phase.

  14. Geometry for the accelerating universe

    CERN Document Server

    Punzi, R; Wohlfarth, M N R; Punzi, Raffaele; Schuller, Frederic P.; Wohlfarth, Mattias N.R.

    2006-01-01

    The Lorentzian spacetime metric is replaced by an area metric which naturally emerges as a generalized geometry in quantum string and gauge theory. Employing the area metric curvature scalar, the gravitational Einstein-Hilbert action is re-interpreted as dynamics for an area metric. Without the need for dark energy or fine-tuning, area metric cosmology explains the observed small acceleration of the late Universe.

  15. A sorption and dilation investigation of amorphous glassy polymers and physical aging

    Science.gov (United States)

    Punsalan, David Troy

    The goal of this work was to investigate the effect of physical aging on penetrant sorption and dilation in glassy polymers. At the present time, this topic is fundamental in nature but may be relevant to previously observed declines in the productivity of polymeric gas separation membranes. Though physical aging is well known to occur in glassy polymers, it is often neglected in most contexts. However, since gas sorption and diffusion occurs on a molecular scale, reduction of unrelaxed volume due of physical aging may have a large impact on the macroscopically observed manifestations of these phenomena. In addition to experimental investigations of the effect of physical aging on the polymer-penetrant environment, various models of sorption and dilation are studied. Of the numerous models available in the literature, the theory of dual mode sorption, Sanchez-Lacombe lattice fluid equation of state and site-distribution model have previously demonstrated notable success and are applied to three polymers of varying chain flexibility: MatrimidRTM, Ultem RTM and LexanRTM (Tg = 313, 215 and 150°C respectively). Since the lattice fluid equation of state is intend for use on equilibrium media, only partial descriptions of solubility are expected. A variation of the Sanchez-Lacombe equation of state which takes into account the non-equilibrium nature of the glassy state, suitably called the Non-Equilibrium Lattice Fluid model, is also considered. In this work, the sorption and dilation data were used to study the presence of unrelaxed volume in glassy polymer materials and how it is affected by physical aging. A variety of other characterizational techniques were explored as well. Substantial changes in the sorption, dilation and CO2 partial molar volume due to physical aging were observed for bulk films of Matrimid RTM and LexanRTM, but not for Ultem RTM. Gas solubility was found to be lower in thin (ℓ = 0.1mum) MatrimidRTM films than in thick films (ℓ = 25.4mum

  16. The role of perilymph in the response of the semicircular canals to angular acceleration. [dynamic model for perilymph induced displacement of cupula

    Science.gov (United States)

    Anliker, M.; Vanbuskirk, W.

    1973-01-01

    A new model for the response of the semicircular canals to angular motion is postulated. This model is based on evidence that the bony canal is not compartmentalized and assumes that the ampulla wall is highly flexible. It is shown that the perilymph induces a cupula displacement far greater than that produced by the endolymph alone. The predicted dynamic behavior of the canals on the basis of this model is found to be consistent with experimental observations.

  17. Commnity Petascale Project for Accelerator Science And Simulation: Advancing Computational Science for Future Accelerators And Accelerator Technologies

    Energy Technology Data Exchange (ETDEWEB)

    Spentzouris, Panagiotis; /Fermilab; Cary, John; /Tech-X, Boulder; Mcinnes, Lois Curfman; /Argonne; Mori, Warren; /UCLA; Ng, Cho; /SLAC; Ng, Esmond; Ryne, Robert; /LBL, Berkeley

    2011-10-21

    The design and performance optimization of particle accelerators are essential for the success of the DOE scientific program in the next decade. Particle accelerators are very complex systems whose accurate description involves a large number of degrees of freedom and requires the inclusion of many physics processes. Building on the success of the SciDAC-1 Accelerator Science and Technology project, the SciDAC-2 Community Petascale Project for Accelerator Science and Simulation (ComPASS) is developing a comprehensive set of interoperable components for beam dynamics, electromagnetics, electron cooling, and laser/plasma acceleration modelling. ComPASS is providing accelerator scientists the tools required to enable the necessary accelerator simulation paradigm shift from high-fidelity single physics process modeling (covered under SciDAC1) to high-fidelity multiphysics modeling. Our computational frameworks have been used to model the behavior of a large number of accelerators and accelerator R&D experiments, assisting both their design and performance optimization. As parallel computational applications, the ComPASS codes have been shown to make effective use of thousands of processors.

  18. 2014 CERN Accelerator Schools: Plasma Wake Acceleration

    CERN Multimedia

    2014-01-01

    A specialised school on Plasma Wake Acceleration will be held at CERN, Switzerland from 23-29 November, 2014.   This course will be of interest to staff and students in accelerator laboratories, university departments and companies working in or having an interest in the field of new acceleration techniques. Following introductory lectures on plasma and laser physics, the course will cover the different components of a plasma wake accelerator and plasma beam systems. An overview of the experimental studies, diagnostic tools and state of the art wake acceleration facilities, both present and planned, will complement the theoretical part. Topical seminars and a visit of CERN will complete the programme. Further information can be found at: http://cas.web.cern.ch/cas/PlasmaWake2014/CERN-advert.html http://indico.cern.ch/event/285444/

  19. The Spallation Neutron Source accelerator system design

    Energy Technology Data Exchange (ETDEWEB)

    Henderson, S., E-mail: stuarth@fnal.gov [Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831 (United States); Abraham, W. [Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720 (United States); Aleksandrov, A. [Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831 (United States); Allen, C. [Techsource, Inc., 1475 Central Avenue, Suite 250, Los Alamos, NM 87544-3291 (United States); Alonso, J. [Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720 (United States); Anderson, D. [Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831 (United States); Arenius, D. [Thomas Jefferson National Accelerator Facility, 12000 Jefferson Avenue, Newport News, VA 23606 (United States); Arthur, T. [Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831 (United States); Assadi, S. [Techsource, Inc., 1475 Central Avenue, Suite 250, Los Alamos, NM 87544-3291 (United States); Ayers, J.; Bach, P. [Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720 (United States); Badea, V. [Brookhaven National Laboratory, P.O. Box 5000, Upton, NY 11973-5000 (United States); Battle, R. [Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831 (United States); Beebe-Wang, J. [Brookhaven National Laboratory, P.O. Box 5000, Upton, NY 11973-5000 (United States); Bergmann, B.; Bernardin, J.; Bhatia, T.; Billen, J.; Birke, T.; Bjorklund, E. [Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, NM 87545 (United States); and others

    2014-11-01

    The Spallation Neutron Source (SNS) was designed and constructed by a collaboration of six U.S. Department of Energy national laboratories. The SNS accelerator system consists of a 1 GeV linear accelerator and an accumulator ring providing 1.4 MW of proton beam power in microsecond-long beam pulses to a liquid mercury target for neutron production. The accelerator complex consists of a front-end negative hydrogen-ion injector system, an 87 MeV drift tube linear accelerator, a 186 MeV side-coupled linear accelerator, a 1 GeV superconducting linear accelerator, a 248-m circumference accumulator ring and associated beam transport lines. The accelerator complex is supported by ∼100 high-power RF power systems, a 2 K cryogenic plant, ∼400 DC and pulsed power supply systems, ∼400 beam diagnostic devices and a distributed control system handling ∼100,000 I/O signals. The beam dynamics design of the SNS accelerator is presented, as is the engineering design of the major accelerator subsystems.

  20. The Spallation Neutron Source accelerator system design

    Science.gov (United States)

    Henderson, S.; Abraham, W.; Aleksandrov, A.; Allen, C.; Alonso, J.; Anderson, D.; Arenius, D.; Arthur, T.; Assadi, S.; Ayers, J.; Bach, P.; Badea, V.; Battle, R.; Beebe-Wang, J.; Bergmann, B.; Bernardin, J.; Bhatia, T.; Billen, J.; Birke, T.; Bjorklund, E.; Blaskiewicz, M.; Blind, B.; Blokland, W.; Bookwalter, V.; Borovina, D.; Bowling, S.; Bradley, J.; Brantley, C.; Brennan, J.; Brodowski, J.; Brown, S.; Brown, R.; Bruce, D.; Bultman, N.; Cameron, P.; Campisi, I.; Casagrande, F.; Catalan-Lasheras, N.; Champion, M.; Champion, M.; Chen, Z.; Cheng, D.; Cho, Y.; Christensen, K.; Chu, C.; Cleaves, J.; Connolly, R.; Cote, T.; Cousineau, S.; Crandall, K.; Creel, J.; Crofford, M.; Cull, P.; Cutler, R.; Dabney, R.; Dalesio, L.; Daly, E.; Damm, R.; Danilov, V.; Davino, D.; Davis, K.; Dawson, C.; Day, L.; Deibele, C.; Delayen, J.; DeLong, J.; Demello, A.; DeVan, W.; Digennaro, R.; Dixon, K.; Dodson, G.; Doleans, M.; Doolittle, L.; Doss, J.; Drury, M.; Elliot, T.; Ellis, S.; Error, J.; Fazekas, J.; Fedotov, A.; Feng, P.; Fischer, J.; Fox, W.; Fuja, R.; Funk, W.; Galambos, J.; Ganni, V.; Garnett, R.; Geng, X.; Gentzlinger, R.; Giannella, M.; Gibson, P.; Gillis, R.; Gioia, J.; Gordon, J.; Gough, R.; Greer, J.; Gregory, W.; Gribble, R.; Grice, W.; Gurd, D.; Gurd, P.; Guthrie, A.; Hahn, H.; Hardek, T.; Hardekopf, R.; Harrison, J.; Hatfield, D.; He, P.; Hechler, M.; Heistermann, F.; Helus, S.; Hiatt, T.; Hicks, S.; Hill, J.; Hill, J.; Hoff, L.; Hoff, M.; Hogan, J.; Holding, M.; Holik, P.; Holmes, J.; Holtkamp, N.; Hovater, C.; Howell, M.; Hseuh, H.; Huhn, A.; Hunter, T.; Ilg, T.; Jackson, J.; Jain, A.; Jason, A.; Jeon, D.; Johnson, G.; Jones, A.; Joseph, S.; Justice, A.; Kang, Y.; Kasemir, K.; Keller, R.; Kersevan, R.; Kerstiens, D.; Kesselman, M.; Kim, S.; Kneisel, P.; Kravchuk, L.; Kuneli, T.; Kurennoy, S.; Kustom, R.; Kwon, S.; Ladd, P.; Lambiase, R.; Lee, Y. Y.; Leitner, M.; Leung, K.-N.; Lewis, S.; Liaw, C.; Lionberger, C.; Lo, C. C.; Long, C.; Ludewig, H.; Ludvig, J.; Luft, P.; Lynch, M.; Ma, H.; MacGill, R.; Macha, K.; Madre, B.; Mahler, G.; Mahoney, K.; Maines, J.; Mammosser, J.; Mann, T.; Marneris, I.; Marroquin, P.; Martineau, R.; Matsumoto, K.; McCarthy, M.; McChesney, C.; McGahern, W.; McGehee, P.; Meng, W.; Merz, B.; Meyer, R.; Meyer, R.; Miller, B.; Mitchell, R.; Mize, J.; Monroy, M.; Munro, J.; Murdoch, G.; Musson, J.; Nath, S.; Nelson, R.; Nelson, R.; O`Hara, J.; Olsen, D.; Oren, W.; Oshatz, D.; Owens, T.; Pai, C.; Papaphilippou, I.; Patterson, N.; Patterson, J.; Pearson, C.; Pelaia, T.; Pieck, M.; Piller, C.; Plawski, T.; Plum, M.; Pogge, J.; Power, J.; Powers, T.; Preble, J.; Prokop, M.; Pruyn, J.; Purcell, D.; Rank, J.; Raparia, D.; Ratti, A.; Reass, W.; Reece, K.; Rees, D.; Regan, A.; Regis, M.; Reijonen, J.; Rej, D.; Richards, D.; Richied, D.; Rode, C.; Rodriguez, W.; Rodriguez, M.; Rohlev, A.; Rose, C.; Roseberry, T.; Rowton, L.; Roybal, W.; Rust, K.; Salazer, G.; Sandberg, J.; Saunders, J.; Schenkel, T.; Schneider, W.; Schrage, D.; Schubert, J.; Severino, F.; Shafer, R.; Shea, T.; Shishlo, A.; Shoaee, H.; Sibley, C.; Sims, J.; Smee, S.; Smith, J.; Smith, K.; Spitz, R.; Staples, J.; Stein, P.; Stettler, M.; Stirbet, M.; Stockli, M.; Stone, W.; Stout, D.; Stovall, J.; Strelo, W.; Strong, H.; Sundelin, R.; Syversrud, D.; Szajbler, M.; Takeda, H.; Tallerico, P.; Tang, J.; Tanke, E.; Tepikian, S.; Thomae, R.; Thompson, D.; Thomson, D.; Thuot, M.; Treml, C.; Tsoupas, N.; Tuozzolo, J.; Tuzel, W.; Vassioutchenko, A.; Virostek, S.; Wallig, J.; Wanderer, P.; Wang, Y.; Wang, J. G.; Wangler, T.; Warren, D.; Wei, J.; Weiss, D.; Welton, R.; Weng, J.; Weng, W.-T.; Wezensky, M.; White, M.; Whitlatch, T.; Williams, D.; Williams, E.; Wilson, K.; Wiseman, M.; Wood, R.; Wright, P.; Wu, A.; Ybarrolaza, N.; Young, K.; Young, L.; Yourd, R.; Zachoszcz, A.; Zaltsman, A.; Zhang, S.; Zhang, W.; Zhang, Y.; Zhukov, A.

    2014-11-01

    The Spallation Neutron Source (SNS) was designed and constructed by a collaboration of six U.S. Department of Energy national laboratories. The SNS accelerator system consists of a 1 GeV linear accelerator and an accumulator ring providing 1.4 MW of proton beam power in microsecond-long beam pulses to a liquid mercury target for neutron production. The accelerator complex consists of a front-end negative hydrogen-ion injector system, an 87 MeV drift tube linear accelerator, a 186 MeV side-coupled linear accelerator, a 1 GeV superconducting linear accelerator, a 248-m circumference accumulator ring and associated beam transport lines. The accelerator complex is supported by ~100 high-power RF power systems, a 2 K cryogenic plant, ~400 DC and pulsed power supply systems, ~400 beam diagnostic devices and a distributed control system handling ~100,000 I/O signals. The beam dynamics design of the SNS accelerator is presented, as is the engineering design of the major accelerator subsystems.

  1. Self-shielded electron linear accelerators designed for radiation technologies

    Science.gov (United States)

    Belugin, V. M.; Rozanov, N. E.; Pirozhenko, V. M.

    2009-09-01

    This paper describes self-shielded high-intensity electron linear accelerators designed for radiation technologies. The specific property of the accelerators is that they do not apply an external magnetic field; acceleration and focusing of electron beams are performed by radio-frequency fields in the accelerating structures. The main characteristics of the accelerators are high current and beam power, but also reliable operation and a long service life. To obtain these characteristics, a number of problems have been solved, including a particular optimization of the accelerator components and the application of a variety of specific means. The paper describes features of the electron beam dynamics, accelerating structure, and radio-frequency power supply. Several compact self-shielded accelerators for radiation sterilization and x-ray cargo inspection have been created. The introduced methods made it possible to obtain a high intensity of the electron beam and good performance of the accelerators.

  2. Improved plasma accelerator

    Science.gov (United States)

    Cheng, D. Y.

    1971-01-01

    Converging, coaxial accelerator electrode configuration operates in vacuum as plasma gun. Plasma forms by periodic injections of high pressure gas that is ionized by electrical discharges. Deflagration mode of discharge provides acceleration, and converging contours of plasma gun provide focusing.

  3. Accelerator Technology Division

    Science.gov (United States)

    1992-04-01

    In fiscal year (FY) 1991, the Accelerator Technology (AT) division continued fulfilling its mission to pursue accelerator science and technology and to develop new accelerator concepts for application to research, defense, energy, industry, and other areas of national interest. This report discusses the following programs: The Ground Test Accelerator Program; APLE Free-Electron Laser Program; Accelerator Transmutation of Waste; JAERI, OMEGA Project, and Intense Neutron Source for Materials Testing; Advanced Free-Electron Laser Initiative; Superconducting Super Collider; The High-Power Microwave Program; (Phi) Factory Collaboration; Neutral Particle Beam Power System Highlights; Accelerator Physics and Special Projects; Magnetic Optics and Beam Diagnostics; Accelerator Design and Engineering; Radio-Frequency Technology; Free-Electron Laser Technology; Accelerator Controls and Automation; Very High-Power Microwave Sources and Effects; and GTA Installation, Commissioning, and Operations.

  4. High Energy Particle Accelerators

    CERN Multimedia

    Audio Productions, Inc, New York

    1960-01-01

    Film about the different particle accelerators in the US. Nuclear research in the US has developed into a broad and well-balanced program.Tour of accelerator installations, accelerator development work now in progress and a number of typical experiments with high energy particles. Brookhaven, Cosmotron. Univ. Calif. Berkeley, Bevatron. Anti-proton experiment. Negative k meson experiment. Bubble chambers. A section on an electron accelerator. Projection of new accelerators. Princeton/Penn. build proton synchrotron. Argonne National Lab. Brookhaven, PS construction. Cambridge Electron Accelerator; Harvard/MIT. SLAC studying a linear accelerator. Other research at Madison, Wisconsin, Fixed Field Alternate Gradient Focusing. (FFAG) Oakridge, Tenn., cyclotron. Two-beam machine. Comments : Interesting overview of high energy particle accelerators installations in the US in these early years. .

  5. Dynamics

    CERN Document Server

    Goodman, Lawrence E

    2001-01-01

    Beginning text presents complete theoretical treatment of mechanical model systems and deals with technological applications. Topics include introduction to calculus of vectors, particle motion, dynamics of particle systems and plane rigid bodies, technical applications in plane motions, theory of mechanical vibrations, and more. Exercises and answers appear in each chapter.

  6. Accelerators, Colliders, and Snakes

    Science.gov (United States)

    Courant, Ernest D.

    2003-12-01

    The author traces his involvement in the evolution of particle accelerators over the past 50 years. He participated in building the first billion-volt accelerator, the Brookhaven Cosmotron, which led to the introduction of the "strong-focusing" method that has in turn led to the very large accelerators and colliders of the present day. The problems of acceleration of spin-polarized protons are also addressed, with discussions of depolarizing resonances and "Siberian snakes" as a technique for mitigating these resonances.

  7. On cosmic acceleration without dark energy

    Energy Technology Data Exchange (ETDEWEB)

    Kolb, E.W.; /Fermilab /Chicago U., Astron. Astrophys. Ctr. /Chicago U., EFI; Matarrese, S.; /Padua U. /INFN, Padua; Riotto, A.; /INFN, Padua

    2005-06-01

    We elaborate on the proposal that the observed acceleration of the Universe is the result of the backreaction of cosmological perturbations, rather than the effect of a negative-pressure dark energy fluid or a modification of general relativity. Through the effective Friedmann equations describing an inhomogeneous Universe after smoothing, we demonstrate that acceleration in our local Hubble patch is possible even if fluid elements do not individually undergo accelerated expansion. This invalidates the no-go theorem that there can be no acceleration in our local Hubble patch if the Universe only contains irrotational dust. We then study perturbatively the time behavior of general-relativistic cosmological perturbations, applying, where possible, the renormalization group to regularize the dynamics. We show that an instability occurs in the perturbative expansion involving sub-Hubble modes, which indicates that acceleration in our Hubble patch may originate from the backreaction of cosmological perturbations on observable scales.

  8. Dynamics of localized structures in vector waves

    CERN Document Server

    Hernández-García, E; Colet, P; San Miguel, M; Hernandez-Garcia, Emilio; Hoyuelos, Miguel; Colet, Pere; Miguel, Maxi San

    1999-01-01

    Dynamical properties of topological defects in a twodimensional complex vector field are considered. These objects naturally arise in the study of polarized transverse light waves. Dynamics is modeled by a Vector Complex Ginzburg-Landau Equation with parameter values appropriate for linearly polarized laser emission. Creation and annihilation processes, and selforganization of defects in lattice structures, are described. We find "glassy" configurations dominated by vectorial defects and a melting process associated to topological-charge unbinding.

  9. Far field acceleration

    Energy Technology Data Exchange (ETDEWEB)

    Fernow, R.C.

    1995-07-01

    Far fields are propagating electromagnetic waves far from their source, boundary surfaces, and free charges. The general principles governing the acceleration of charged particles by far fields are reviewed. A survey of proposed field configurations is given. The two most important schemes, Inverse Cerenkov acceleration and Inverse free electron laser acceleration, are discussed in detail.

  10. Accelerators and Dinosaurs

    CERN Document Server

    Turner, Michael Stanley

    2003-01-01

    Using naturally occuring particles on which to research might have made accelerators become extinct. But in fact, results from astrophysics have made accelerator physics even more important. Not only are accelerators used in hospitals but they are also being used to understand nature's inner workings by searching for Higgs bosons, CP violation, neutrino mass and dark matter (2 pages)

  11. The CERN Accelerator School

    CERN Multimedia

    2016-01-01

    Introduction to accelerator physics The CERN Accelerator School: Introduction to Accelerator Physics, which should have taken place in Istanbul, Turkey, later this year has now been relocated to Budapest, Hungary.  Further details regarding the new hotel and dates will be made available as soon as possible on a new Indico site at the end of May.

  12. Acceleration: It's Elementary

    Science.gov (United States)

    Willis, Mariam

    2012-01-01

    Acceleration is one tool for providing high-ability students the opportunity to learn something new every day. Some people talk about acceleration as taking a student out of step. In actuality, what one is doing is putting a student in step with the right curriculum. Whole-grade acceleration, also called grade-skipping, usually happens between…

  13. Dynamics and Rheology of Soft Colloidal Glasses

    KAUST Repository

    Wen, Yu Ho

    2015-01-20

    © 2015 American Chemical Society. The linear viscoelastic (LVE) spectrum of a soft colloidal glass is accessed with the aid of a time-concentration superposition (TCS) principle, which unveils the glassy particle dynamics from in-cage rattling motion to out-of-cage relaxations over a broad frequency range 10-13 rad/s < ω < 101 rad/s. Progressive dilution of a suspension of hairy nanoparticles leading to increased intercenter distances is demonstrated to enable continuous mapping of the structural relaxation for colloidal glasses. In contrast to existing empirical approaches proposed to extend the rheological map of soft glassy materials, i.e., time-strain superposition (TSS) and strain-rate frequency superposition (SRFS), TCS yields a LVE master curve that satis fies the Kramers-Kronig relations which interrelate the dynamic moduli for materials at equilibrium. The soft glassy rheology (SGR) model and literature data further support the general validity of the TCS concept for soft glassy materials.

  14. Effect of niobium on glass-formation ability and soft magnetic properties of Gd-doping glassy alloys

    Institute of Scientific and Technical Information of China (English)

    LIU Xuan; DING Yanhong; ZHAO Shuisheng; LONG Yi; YE Rongchang; CHANG Yongqin

    2008-01-01

    The effect of niobium on glass-formation ability and soft magnetic properties were studied in Fe-Gd-B glassy alloys. The glassy alloys exhibited high glass-formation ability when the dement of Nb was added. Bulk glassy rod (Fe0.87Co0.13)68.5Gd3.5Nb3B25 with a diameter up to 3 mm was produced by eopper mold casting. The size of the atom might play an important role in increasing glass-formation ability. The coercive force of glassy (Fe0.87Co0.13)71.5-xGd3.5NbxB25 (x=1.2, 1.5, 2, 2.5, 3, 4)alloys decreased after the addition of niobium element and was in the range of 1.5-2.9 A/m. The permeability spectrum of (Fe0.87Co0.13)7.3Gd3.5Nb1.5B25glassy ribbon showed that the relaxation fiequency (f0) was 6.1 MHz.

  15. A geochemical approach to constraining the formation of glassy fallout debris from nuclear tests

    Science.gov (United States)

    Bonamici, Chloë E.; Kinman, William S.; Fournelle, John H.; Zimmer, Mindy M.; Pollington, Anthony D.; Rector, Kirk D.

    2017-01-01

    Glassy nuclear fallout debris from near-surface nuclear tests is fundamentally reprocessed earth material. A geochemical approach to analysis of glassy fallout is uniquely suited to determine the means of reprocessing and shed light on the mechanisms of fallout formation. An improved understanding of fallout formation is of interest both for its potential to guide post-detonation nuclear forensic investigations and in the context of possible affinities between glassy debris and other glasses generated by high-energy natural events, such as meteorite impacts and lightning strikes. This study presents a large major-element compositional dataset for glasses within aerodynamic fallout from the Trinity nuclear test ("trinitite") and a geochemically based analysis of the glass compositional trends. Silica-rich and alkali-rich trinitite glasses show compositions and textures consistent with formation through melting of individual mineral grains—quartz and alkali feldspar, respectively—from the test-site sediment. The volumetrically dominant glass phase—called the CaMgFe glass—shows extreme major-element compositional variability. Compositional trends in the CaMgFe glass are most consistent with formation through volatility-controlled condensation from compositionally heterogeneous plasma. Radioactivity occurs only in CaMgFe glass, indicating that co-condensation of evaporated bulk ground material and trace device material was the main mechanism of radioisotope incorporation into trinitite. CaMgFe trinitite glasses overlap compositionally with basalts, rhyolites, fulgurites, tektites, and microtektites but display greater compositional diversity than all of these naturally formed glasses. Indeed, the most refractory CaMgFe glasses compositionally resemble early solar system condensates—specifically, CAIs.

  16. Micro-morphological changes prior to adhesive bonding: high-alumina and glassy-matrix ceramics

    Directory of Open Access Journals (Sweden)

    Marco Cícero Bottino

    2008-06-01

    Full Text Available The aim of this study was to qualitatively demonstrate surface micro-morphological changes after the employment of different surface conditioning methods on high-alumina and glassy-matrix dental ceramics. Three disc-shaped high-alumina specimens (In-Ceram Alumina, INC and 4 glassy-matrix ceramic specimens (Vitadur Alpha, V (diameter: 5 mm and height: 5 mm were manufactured. INC specimens were submitted to 3 different surface conditioning methods: INC1 - Polishing with silicon carbide papers (SiC; INC2 - Chairside air-borne particle abrasion (50 µm Al2O3; INC3 - Chairside silica coating (CoJet; 30 µm SiOx. Vitadur Alpha (V specimens were subjected to 4 different surface conditioning methods: V1 - Polishing with SiC papers; V2 - HF acid etching; V3 - Chairside air-borne particle abrasion (50 µm Al2O3; V4 - Chairside silica coating (30 µm SiOx. Following completion of the surface conditioning methods, the specimens were analyzed using SEM. After polishing with SiC, the surfaces of V specimens remained relatively smooth while those of INC exhibited topographic irregularities. Chairside air-abrasion with either aluminum oxide or silica particles produced retentive patterns on both INC and V specimens, with smoother patterns observed after silica coating. V specimens etched with HF presented a highly porous surface. Chairside tribochemical silica coating resulted in smoother surfaces with particles embedded on the surface even after air-blasting. Surface conditioning using air-borne particle abrasion with either 50 µm alumina or 30 µm silica particles exhibited qualitatively comparable rough surfaces for both INC and V. HF acid gel created the most micro-retentive surface for the glassy-matrix ceramic tested.

  17. SYNTHESIS OF Na-Y NANOZEOLITE ON GLASSY CARBON BY SEEDING METHOD

    Directory of Open Access Journals (Sweden)

    Hany Tovina

    2011-04-01

    Full Text Available Nanozeolite synthesis was carried out through seeding method, in which the seed was Y zeolite (member of faujasite,FAU, family using tetraethyl orto silicate (TEOS as silica source, and aluminium isopropoxide Al[(CH32CHO]3 asaluminum source, and tetramethylammoniumhydroxide (TMAOH as template, under hydrothermal condition. Theseeds then were grown on glassy carbon (GC sheet, that prior being used was modified, using layer by layer (LbLtechnique, with three layers of polyelectrolytes: Poly(diallyldimethylammoniumchloride, PDDA; Poly-4-sodiumstyrenesulfonate,PSS; and PDDA again. The seeded GC sheet then was immersed into colloidal suspension with molarcomposition as follow: 14Na2O: Al2O3: 10SiO2: 798H2O: 3Na2SO4 and the pH of the suspension was kept at 9,0 beforewas treated hydrothermally for 20 hours at 100 oC. The variation on number of seed layers on GC (1, 2 and 3 layers,observed by SEM, showed that homogenous structure and crystal size was obtained with 1 layer of seeds applied on thesurface of glassy carbon. When more layers of seeds applied, the agregation and intergrowth of zeolite crystals in thethin film of zeolite became more visible. XRD pattern of the as-prepared thin film zeolite indicates that the zeolite hasnanoparticle structure. Furthermore, the pattern of glassy carbon predominated the XRD pattern and covered the patternof Y-zeolite. On the other hand, XRD of as prepared bulk Y-zeolite shows structure of FAU framework

  18. The accelerating structure of the IFUSP microtron

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, J.; Martins, M.N.; Lima, J.A. de; Malafronte, A.A.; Portante, L.; Cruz, M.T.F. da; Pascholati, P.R. [Sao Paulo Univ., SP (Brazil). Inst. de Fisica

    1997-10-01

    The accelerating structure for ultra-relativistic electrons ({beta}=1) of the IFUSP microtron accelerator is described. We present the main characteristics of the structure and discuss some of the expected properties of the project, such as effective shunt impedance, coupling factor and accelerating field distribution, based on calculations. We describe the construction procedures, from the machining and pre-tuning of the cavities, to the brazing process and the final tuning of the whole structure. The final results obtained for the structure are presented and the dynamic tuning system based on moving plungers described. (author). 1 ref., 3 figs., 2 tabs.

  19. Transient cosmic acceleration from interacting fluids

    CERN Document Server

    Fabris, Julio C; Pinto-Neto, Nelson; Zimdahl, Winfried

    2009-01-01

    Recent investigations seem to favor a cosmological dynamics according to which the accelerated expansion of the Universe may have already peaked and is now slowing down again \\cite{sastaro}. As a consequence, the cosmic acceleration may be a transient phenomenon. We investigate a toy model that reproduces such a background behavior as the result of a time-dependent coupling in the dark sector which implies a cancelation of the "bare" cosmological constant. With the help of a statistical analysis of Supernova Type Ia (SNIa) data we demonstrate that for a certain parameter combination a transient accelerating phase emerges as a pure interaction effect.

  20. Laser wakefield acceleration of polarized electron beams

    Science.gov (United States)

    Pugacheva, D. V.; Andreev, N. E.; Cros, B.

    2016-11-01

    The acceleration of highly polarized electron beams are widely used in state-of-the-art high-energy physics experiments. In this work, a model for investigation of polarization dynamics of electron beams in the laser-plasma accelerator depending on the initial energy of electrons was developed and tested. To obtain the evolution of the trajectory and momentum of the electron for modeling its acceleration the wakefield structure was determined. The spin precession of the beam electron was described by Thomas-Bargman-Michel-Telegdi equations. The evolution of the electron beam polarization was investigated for zero-emittance beams with zero-energy spread.

  1. The Accelerator Reliability Forum

    CERN Document Server

    Lüdeke, Andreas; Giachino, R

    2014-01-01

    A high reliability is a very important goal for most particle accelerators. The biennial Accelerator Reliability Workshop covers topics related to the design and operation of particle accelerators with a high reliability. In order to optimize the over-all reliability of an accelerator one needs to gather information on the reliability of many different subsystems. While a biennial workshop can serve as a platform for the exchange of such information, the authors aimed to provide a further channel to allow for a more timely communication: the Particle Accelerator Reliability Forum [1]. This contribution will describe the forum and advertise it’s usage in the community.

  2. Determination of Trace Thiocyanate by a Chitosan-Modified Glassy Carbon Electrode

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A chitosan-modified glassy carbon electrode(CMGCE) was employed for the determination of thiocyanate. The measurement was carried out by means of anodic stripping voltammetry. The effects of several experimental parameters, such as pH, the amount of modifier, deposition potential and deposition time were studied for analytical application, respectively. A liner response was obtained in the concentration range of 3.5×10-8-9.3×10-7 g/mL of SCN-. The detection limit was found to be 1.9×10-8 g/mL. The method was satisfactorily used to detect SCN- in saliva.

  3. Transmission of phage by glassy-winged sharpshooters, a vector of Xylella fastidiosa

    Science.gov (United States)

    Bhowmick, Tushar Suvra; Das, Mayukh; Heinz, Kevin M.; Krauter, Peter C.; Gonzalez, Carlos F.

    2016-01-01

    ABSTRACT Xylella fastidiosa subsp. fastidiosa (Xff) is the causal agent of Pierce's Disease (PD) of grapevines and is vectored by the glassy-winged sharpshooter (GWSS, Homalodisca vitripennis). Previously we have reported the development of a bacteriophage (phage) based biocontrol system for PD, but no information on insect transmission of phages has been reported. Here we communicate that laboratory reared GWSSs fed on cowpea plants (Vigna unguiculata subsp. unguiculata) harboring the virulent phage Paz were able to uptake of phage efficiently when the phage was present in high concentration, but were inefficient in transfer to plants. PMID:27738554

  4. Electrochemical Oxidation of Paracetamol Mediated by MgB2 Microparticles Modified Glassy Carbon Electrode

    OpenAIRE

    Mohammed Zidan; Tan Wee Tee; A. Halim Abdullah; Zulkarnain Zainal; Goh Joo Kheng

    2011-01-01

    A MgB2 microparticles modified glassy carbon electrode (MgB2/GCE) was fabricated by adhering microparticles of MgB2 onto the electrode surface of GCE. It was used as a working electrode for the detection of paracetamol in 0.1 M KH2PO4 aqueous solution during cyclic voltammetry. Use of the MgB2/GCE the oxidation process of paracetamol with a current enhancement significantly by about 2.1 times. The detection limit of this modified electrode was found to be 30 μM. The sensitivity under conditio...

  5. Temperature stability of gamma-ray-induced effects in glassy arsenic trisulfide

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O.I.

    1987-07-01

    The author studied the effect of low-temperature annealing (up to the softening point) on the energy dependences of the optical absorption coefficient ..cap alpha.. in the region of Urbach's edge (..cap alpha.. < 10/sup 2/ cm/sup -1/) and the microhardness H of glassy arsenic trisulfide irradiated with gamma rays from a CO/sup 60/ source (absorbed dosages of 10/sup 6/-10/sup 7/ Gy). Bulk samples of As/sub 2/S/sub 3/, obtained by direct synthesis in evacuated ampuls consisting of especially pure components, were used.

  6. Fine kinetics of natural physical ageing in glassy As{sub 10}Se{sub 90}

    Energy Technology Data Exchange (ETDEWEB)

    Balitska, V. [Institute of Materials, Scientific Research Company “Carat”, 202 Stryjska Str., 79031 Lviv (Ukraine); Lviv State University of Vital Activity Safety, 35, Kleparivska Str., Lviv 79007 (Ukraine); Golovchak, R. [Department of Physics and Astronomy, Austin Peay State University, Clarksville, TN 37044 (United States); Kozdras, A. [Faculty of Physics of Opole Technical University, 75, Ozimska Str., Opole 45370 (Poland); Shpotyuk, O., E-mail: shpotyuk@novas.lviv.ua [Institute of Materials, Scientific Research Company “Carat”, 202 Stryjska Str., 79031 Lviv (Ukraine); Institute of Physics, Jan Dlugosz University, Al. Armii Krajowej 13/15, Czestochowa 42201 (Poland)

    2014-02-01

    Sigmoid behavior of natural physical ageing in glassy As{sub 10}Se{sub 90} reveals multi-step-wise growing kinetics of enthalpy losses. Phenomenological description of this kinetics can be adequately developed in terms of first-order relaxation processes, tending atomic structure from initial towards more thermodynamically equilibrium state. This kinetics is shown to obey characteristic stretched exponential behavior originated from a number of growing steps, attributed to the interconnected processes of chalcogen chain alignment and cooperative shrinkage of glass network.

  7. State transformations and ice nucleation in glassy or (semi-solid amorphous organic aerosol

    Directory of Open Access Journals (Sweden)

    K. J. Baustian

    2012-10-01

    Full Text Available Glassy or amorphous (semi-solid organic aerosol particles have the potential to serve as surfaces for heterogeneous ice nucleation in cirrus clouds. Raman spectroscopy and optical microscopy have been used in conjunction with a cold stage to examine water uptake and ice nucleation on individual aqueous organic glass particles at atmospherically relevant temperatures (200–273 K. Three organic compounds considered proxies for atmospheric secondary organic aerosol (SOA were used in this investigation: sucrose, citric acid and glucose. Internally mixed particles consisting of each organic species and ammonium sulfate were also investigated.

    Results from water uptake experiments were used to construct glass transition curves and state diagrams for each organic and corresponding mixture. A unique glass transition point on each state diagram, Tg', was used to quantify and compare results from this study to previous works. Values of Tg' determined for aqueous sucrose, glucose and citric acid glasses were 236 K, 230 K and 220 K, respectively. Values of Tg' for internally mixed organic/sulfate particles were always significantly lower; 210 K, 207 K and 215 K for sucrose/sulfate, glucose/sulfate and citric acid/sulfate, respectively.

    All investigated organic species were observed to serve as heterogeneous ice nuclei at tropospheric temperatures. Heterogeneous ice nucleation on pure organic particles occurred at Sice=1.1–1.4 for temperatures between 235 K and 200 K. Particles consisting of 1:1 organic-sulfate mixtures remained liquid over a greater range of conditions but were in some cases also observed to depositionally nucleate ice at temperatures below 202 K (Sice=1.25–1.38.

    Glass transition curves constructed from experimental data were incorporated into the Community Aerosol Radiation Model for Atmospheres (CARMA along with the

  8. Electrooxidation of carbo/thiocarbohydrazide and their hydrazone derivatives at a glassy carbon electrode

    Indian Academy of Sciences (India)

    G P Mamatha; B S Sherigara; K M Mahadevan

    2007-05-01

    Electrochemical oxidation of thio/carbohydrazide and their hydrazone derivatives Benzaldehyde thiocarbohydrazone [BTCH] diacetylene thiocarbohydrazone [DATCH] have been studied in Britton Robinson buffer in aqueous and nonaqueous media at a glassy carbon electrode. The effects of pH, sweep rate, concentration, temperature and surfactants have been studied. The complex bis (carbo/thiocabohydrazide) Zn(II) chloride was also subjected to voltammetric analysis in order to understand the reactivity both in free and metal bound states. The reaction conditions were optimized for the determination of above compounds in micrograms quantities by differential pulse voltammetry, analytical utility of this investigation is also highlighted.

  9. A Novel Amperometric Nitric Oxide Sensor Based on Polythionine /Nation Modified Glassy Carbon Electrode

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A novel amperometric sensor for the determination of nitric oxide was developed by coating polythionine / nafion on a glassy carbon electrode. This sensor exhibited a great enhancement to the oxidation of nitric oxide. The oxidation peak currents were linear to the concentration of nitric oxide over the wide range from 3.6×10-7 to 6.8×10-5 mol. L-1, and the detection limit was 7.2×10-8 mol. L-1. Experimental results showed that this nitric oxide sensor possessed excellent selectivity and longer stability. NO releasing from rat kidney was monitored by this sensor.

  10. Study of lithium glassy solid electrolyte/electrode interface by impedance analysis

    Indian Academy of Sciences (India)

    A Karthikeyan; P Vinatier; A Levasseur

    2000-06-01

    Cells of lithium ion conducting glassy electrolyte Li2SO4–Li2O–B2O3 with different combinations of electrodes (stainless steel blocking electrode, lithium non-blocking electrode and TiS2 electrode) have been prepared. The a.c. impedance measurements of the cells have been studied at elevated temperature as a function of time. The circuit elements such as bulk resistance, double layer capacitance and charge transfer resistance have been inferred and their time dependence studied. The results show that the electrolyte and the interface are chemically very stable with the different types of electrodes studied here.

  11. Deformation and structure evolution of glassy poly(lactic acid) below the glass transition temperature

    DEFF Research Database (Denmark)

    Zhou, Chengbo; Li, Hongfei; Zhang, Yao;

    2015-01-01

    Poly(lactic acid) (PLA) is a bio-based and compostable thermoplastic polyester that has rapidly evolved into a competitive commodity material over the last decade. One key bottleneck in expanding the field of application of PLA is the control of its structure and properties. Therefore, in situ...... by differential scanning calorimetry (DSC). The obtained results showed that the deformation and yield stress of glassy PLA are strongly dependent on the stretching temperatures together with the transition from mesophase to mesocrystal and the formation of cavities. With the increase in drawing temperature...

  12. Influence of Boundary Conditions on Yielding in a Soft Glassy Material

    Science.gov (United States)

    Gibaud, Thomas; Barentin, Catherine; Manneville, Sébastien

    2008-12-01

    The yielding behavior of a sheared Laponite suspension is investigated within a 1 mm gap under two different boundary conditions. No-slip conditions, ensured by using rough walls, lead to shear localization as already reported in various soft glassy materials. When apparent wall slip is allowed using a smooth geometry, the sample breaks up into macroscopic solid pieces that get slowly eroded by the surrounding fluidized material up to the point where the whole sample is fluid. Such a drastic effect of boundary conditions on yielding suggests the existence of some macroscopic characteristic length that could be connected to cooperativity effects in jammed materials under shear.

  13. Direct Electrochemistry of Catalase on Single Wall Carbon Nanotubes Modified Glassy Carbon Electrode

    Institute of Scientific and Technical Information of China (English)

    Qiang ZHAO; Lun Hui GUAN; Zhen Nan GU; Qian Kun ZHUANG

    2005-01-01

    Direct electrochemistry of catalase (Ct) has been studied on single wall carbon nanotubes (SWNTs) modified glassy carbon (GC) electrode. A pair of well-defined nearly reversible redox peaks is given at --0.48 V (vs. SCE) in 0.1 mol/L phosphate solution (pH 7.0).The peak current in cyclic voltammogram is proportional to the scan rate. The peak potential of catalase is shifted to more negative value when the pH increases. Catalase can adsorb on the SWNTs modified electrode.

  14. Dielectric relaxation studies in Se90Cd8Sb2 glassy alloy

    Science.gov (United States)

    Shukla, Nitesh; Rao, Vandita; Dwivedi, D. K.

    2016-05-01

    Se90Cd8Sb2 chalcogenide semiconducting alloy was prepared by melt quench technique. The prepared glassy alloy has been characterized by techniques such as scanning electron microscopy (SEM) and energy dispersive X-ray (EDAX).Dielectric properties of Se90Cd8Sb2 chalcogenide semiconductor have been studied using impedance spectroscopic technique in the frequency range 5×102Hz - 1×105Hz and in temperature range 303-318K. It is found that dielectric constant ɛ' and dielectric loss factor ɛ″ are dependent on frequency and temperature.

  15. Multiple time step molecular dynamics in the optimized isokinetic ensemble steered with the molecular theory of solvation: Accelerating with advanced extrapolation of effective solvation forces

    Energy Technology Data Exchange (ETDEWEB)

    Omelyan, Igor, E-mail: omelyan@ualberta.ca, E-mail: omelyan@icmp.lviv.ua [National Institute for Nanotechnology, 11421 Saskatchewan Drive, Edmonton, Alberta T6G 2M9 (Canada); Department of Mechanical Engineering, University of Alberta, Edmonton, Alberta T6G 2G8 (Canada); Institute for Condensed Matter Physics, National Academy of Sciences of Ukraine, 1 Svientsitskii Street, Lviv 79011 (Ukraine); Kovalenko, Andriy, E-mail: andriy.kovalenko@nrc-cnrc.gc.ca [National Institute for Nanotechnology, 11421 Saskatchewan Drive, Edmonton, Alberta T6G 2M9 (Canada); Department of Mechanical Engineering, University of Alberta, Edmonton, Alberta T6G 2G8 (Canada)

    2013-12-28

    We develop efficient handling of solvation forces in the multiscale method of multiple time step molecular dynamics (MTS-MD) of a biomolecule steered by the solvation free energy (effective solvation forces) obtained from the 3D-RISM-KH molecular theory of solvation (three-dimensional reference interaction site model complemented with the Kovalenko-Hirata closure approximation). To reduce the computational expenses, we calculate the effective solvation forces acting on the biomolecule by using advanced solvation force extrapolation (ASFE) at inner time steps while converging the 3D-RISM-KH integral equations only at large outer time steps. The idea of ASFE consists in developing a discrete non-Eckart rotational transformation of atomic coordinates that minimizes the distances between the atomic positions of the biomolecule at different time moments. The effective solvation forces for the biomolecule in a current conformation at an inner time step are then extrapolated in the transformed subspace of those at outer time steps by using a modified least square fit approach applied to a relatively small number of the best force-coordinate pairs. The latter are selected from an extended set collecting the effective solvation forces obtained from 3D-RISM-KH at outer time steps over a broad time interval. The MTS-MD integration with effective solvation forces obtained by converging 3D-RISM-KH at outer time steps and applying ASFE at inner time steps is stabilized by employing the optimized isokinetic Nosé-Hoover chain (OIN) ensemble. Compared to the previous extrapolation schemes used in combination with the Langevin thermostat, the ASFE approach substantially improves the accuracy of evaluation of effective solvation forces and in combination with the OIN thermostat enables a dramatic increase of outer time steps. We demonstrate on a fully flexible model of alanine dipeptide in aqueous solution that the MTS-MD/OIN/ASFE/3D-RISM-KH multiscale method of molecular dynamics

  16. Industrial Application of Accelerators

    CERN Document Server

    CERN. Geneva

    2017-01-01

    At CERN, we are very familiar with large, high energy particle accelerators. However, in the world outside CERN, there are more than 35000 accelerators which are used for applications ranging from treating cancer, through making better electronics to removing harmful micro-organisms from food and water. These are responsible for around $0.5T of commerce each year. Almost all are less than 20 MeV and most use accelerator types that are somewhat different from what is at CERN. These lectures will describe some of the most common applications, some of the newer applications in development and the accelerator technology used for them. It will also show examples of where technology developed for particle physics is now being studied for these applications. Rob Edgecock is a Professor of Accelerator Science, with a particular interest in the medical applications of accelerators. He works jointly for the STFC Rutherford Appleton Laboratory and the International Institute for Accelerator Applications at the Univer...

  17. Industrial Application of Accelerators

    CERN Document Server

    CERN. Geneva

    2017-01-01

    At CERN, we are very familiar with large, high energy particle accelerators. However, in the world outside CERN, there are more than 35000 accelerators which are used for applications ranging from treating cancer, through making better electronics to removing harmful micro-organisms from food and water. These are responsible for around $0.5T of commerce each year. Almost all are less than 20 MeV and most use accelerator types that are somewhat different from what is at CERN. These lectures will describe some of the most common applications, some of the newer applications in development and the accelerator technology used for them. It will also show examples of where technology developed for particle physics is now being studied for these applications. Rob Edgecock is a Professor of Accelerator Science, with a particular interest in the medical applications of accelerators. He works jointly for the STFC Rutherford Appleton Laboratory and the International Institute for Accelerator Applications at the Uni...

  18. Modification of glassy carbon electrode with a bilayer of multiwalled carbon nanotube/tiron-doped polypyrrole: Application to sensitive voltammetric determination of acyclovir

    Energy Technology Data Exchange (ETDEWEB)

    Shahrokhian, Saeed, E-mail: shahrokhian@sharif.edu [Department of Chemistry, Sharif University of Technology, Tehran 11155-3516 (Iran, Islamic Republic of); Institute for Nanoscience and Technology, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Azimzadeh, Mahnaz [Department of Chemistry, Sharif University of Technology, Tehran 11155-3516 (Iran, Islamic Republic of); Amini, Mohammad K. [Department of Chemistry, Isfahan University, Isfahan (Iran, Islamic Republic of)

    2015-08-01

    A novel voltammetric sensor based on glassy carbon electrode (GCE) modified with a thin film of multi-walled carbon nanotubes (MWCNTs) coated with an electropolymerized layer of tiron-doped polypyrrole was developed and the resulting electrode was applied for the determination of acyclovir (ACV). The surface morphology and property of the modified electrode were characterized by field emission scanning electron microscopy and electrochemical impedance spectroscopy techniques. The electrochemical performance of the modified electrode was investigated by means of linear sweep voltammetry (LSV). The effect of several experimental variables, such as pH of the supporting electrolyte, drop size of the cast MWCNTssuspension, number of electropolymerization cycles and accumulation time was optimized by monitoring the LSV response of the modified electrode toward ACV. The best response was observed at pH 7.0 after accumulation at open circuit for 160 s. Under the optimized conditions, a significant electrochemical improvement was observed toward the electrooxidation of ACV on the modified electrode surface relative to the bare GCE, resulting in a wide linear dynamic range (0.03–10.0 μM) and a low detection limit (10.0 nM) for ACV. Besides high sensitivity, the sensor represented high stability and good reproducibility for ACV analysis, and provided satisfactory results for the determination of this compound in pharmaceutical and clinical preparations. - Highlights: • A simple method was employed to construct a thin film modified electrode. • Tiron-doped polypyrrole was electropolymerized on MWCNT precast glassy carbon electrode. • Electrode surface characterization was performed by microscopic and spectroscopic techniques. • The modified electrode showed nano-molar detection limit for acyclovir. • The modified electrode was applied for the detection of ACV in pharmaceutical and clinical preparations.

  19. ELECTROCHEMICAL DETERMINATION OF ETHANOL, 2- PROPANOL AND 1-BUTANOL ON GLASSY CARBON ELECTRODE MODIFIED WITH NICKEL OXIDE FILM

    Directory of Open Access Journals (Sweden)

    A. Benchettara

    2015-07-01

    Full Text Available In this work, we present the modification of a glassy carbon electrode with nickel oxide film which is performed in two successive steps. In the first one, the electrochemical deposition of metallic nickel on the glassy carbon electrode (GCE is achieved in 0.1M boric acid; in the second step, the metallic deposit is anodically oxidized in 0.1M NaOH. These two operations were carried out in a three electrode cell with a filiform platinum auxiliary electrode, a SCE as potential reference and a working microelectrode of modified glassy carbon with nickel oxides. This electrode is characterized by several electrochemical techniques and is used for the catalytic determination of ethanol, 2-propanol and 1-butanol in 0.1 M NaOH. The proposed chemical mechanism shows that NiO2 acts as a mediator.

  20. ELECTROCHEMICAL DETERMINATION OF ETHANOL, 2- PROPANOL AND 1-BUTANOL ON GLASSY CARBON ELECTRODE MODIFIED WITH NICKEL OXIDE FILM

    Directory of Open Access Journals (Sweden)

    A. Benchettara

    2014-12-01

    Full Text Available In this work, we present the modification of a glassy carbon electrode with nickel oxide film which is performed in two successive steps. In the first one, the electrochemical deposition of metallic nickel on the glassy carbon electrode (GCE is achieved in 0.1M boric acid; in the second step, the metallic deposit is anodically oxidized in 0.1M NaOH. These two operations were carried out in a three electrode cell with a filiform platinum auxiliary electrode, a SCE as potential reference and a working microelectrode of modified glassy carbon with nickel oxides. This electrode is characterized by several electrochemical techniques and is used for the catalytic determination of ethanol, 2-propanol and 1-butanol in 0.1 M NaOH. The proposed chemical mechanism shows that NiO2 acts as a mediator.

  1. Accelerating Expansion of the Universe

    CERN Document Server

    Chakraborty, Writambhara

    2011-01-01

    This thesis concentrates on the accelerated expansion of the Universe recently explored by measurements of redshift and luminosity-distance relations of type Ia Supernovae. We have considered a model of the universe filled with modified Chaplygin gas and barotropic fluid. The role of dynamical cosmological constant has been explored with Modified Chaplygin Gas as the background fluid. Various phenomenological models for \\Lambda have been studied in presence of the gravitational constant G to be constant or time dependent. A new form of the well known Chaplygin gas model has been presented by introducing inhomogeneity in the EOS. This model explains w=-1 crossing. An interaction of this model with the scalar field has also been investigated through a phenomenological coupling function. Tachyonic field has been depicted as dark energy model to represent the present acceleration of the Universe. A mixture of the tachyonic fluid has been considered with Generalized Chaplygin Gas to show the role of the later as a...

  2. Self accelerating electron Airy beams

    CERN Document Server

    Voloch-Bloch, Noa; Lilach, Yigal; Gover, Avraham; Arie, Ady

    2013-01-01

    We report the first experimental generation and observation of Airy beams of free electrons. The electron Airy beams are generated by diffraction of electrons through a nanoscale hologram, that imprints a cubic phase modulation on the beams' transverse plane. We observed the spatial evolution dynamics of an arc-shaped, self accelerating and shape preserving electron Airy beams. We directly observed the ability of electrons to self-heal, restoring their original shape after passing an obstacle. This electromagnetic method opens up new avenues for steering electrons, like their photonic counterparts, since their wave packets can be imprinted with arbitrary shapes or trajectories. Furthermore, these beams can be easily manipulated using magnetic or electric potentials. It is also possible to efficiently self mix narrow beams having opposite signs of acceleration, hence obtaining a new type of electron interferometer.

  3. Accelerating optimization by tracing valley

    Science.gov (United States)

    Li, Qing-Xiao; He, Rong-Qiang; Lu, Zhong-Yi

    2016-06-01

    We propose an algorithm to accelerate optimization when an objective function locally resembles a long narrow valley. In such a case, a conventional optimization algorithm usually wanders with too many tiny steps in the valley. The new algorithm approximates the valley bottom locally by a parabola that is obtained by fitting a set of successive points generated recently by a conventional optimization method. Then large steps are taken along the parabola, accompanied by fine adjustment to trace the valley bottom. The effectiveness of the new algorithm has been demonstrated by accelerating the Newton trust-region minimization method and the Levenberg-Marquardt method on the nonlinear fitting problem in exact diagonalization dynamical mean-field theory and on the classic minimization problem of the Rosenbrock's function. Many times speedup has been achieved for both problems, showing the high efficiency of the new algorithm.

  4. The entangled accelerating universe

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Diaz, Pedro F. [Colina de los Chopos, Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 121, 28006 Madrid (Spain); Estacion Ecologica de Biocosmologia, Pedro de Alvarado, 14, 06411-Medellin (Spain)], E-mail: p.gonzalezdiaz@imaff.cfmac.csic.es; Robles-Perez, Salvador [Colina de los Chopos, Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 121, 28006 Madrid (Spain); Estacion Ecologica de Biocosmologia, Pedro de Alvarado, 14, 06411-Medellin (Spain)

    2009-08-31

    Using the known result that the nucleation of baby universes in correlated pairs is equivalent to spacetime squeezing, we show in this Letter that there exists a T-duality symmetry between two-dimensional warp drives, which are physically expressible as localized de Sitter little universes, and two-dimensional Tolman-Hawking and Gidding-Strominger baby universes respectively correlated in pairs, so that the creation of warp drives is also equivalent to spacetime squeezing. Perhaps more importantly, it has been also seen that the nucleation of warp drives entails a violation of the Bell's inequalities, and hence the phenomena of quantum entanglement, complementarity and wave function collapse. These results are generalized to the case of any dynamically accelerating universe filled with dark or phantom energy whose creation is also physically equivalent to spacetime squeezing and to the violation of the Bell's inequalities, so that the universe we are living in should be governed by essential sharp quantum theory laws and must be a quantum entangled system.

  5. Glassy metals

    CERN Document Server

    Russew, Krassimir

    2016-01-01

    The topics discussed in this book focus on fundamental problems concerning the structural relaxation of amorphous metallic alloys, above all the possibility of studying it on the basis of viscous flow behavior and its relation to rheological anomalies, such as bend stress relaxation, thermal expansion, specific heat, density changes, and crystallization. Most relaxation studies deal with the relaxation changes of a single definite material property, and not with a wider spectrum of physical properties integrated into a common framework. This book shows that it is possible to describe these property changes on the basis of a more comprehensive theoretical understanding of their mechanism.

  6. Particle-accelerator decommissioning

    Energy Technology Data Exchange (ETDEWEB)

    Opelka, J.H.; Mundis, R.L.; Marmer, G.J.; Peterson, J.M.; Siskind, B.; Kikta, M.J.

    1979-12-01

    Generic considerations involved in decommissioning particle accelerators are examined. There are presently several hundred accelerators operating in the United States that can produce material containing nonnegligible residual radioactivity. Residual radioactivity after final shutdown is generally short-lived induced activity and is localized in hot spots around the beam line. The decommissioning options addressed are mothballing, entombment, dismantlement with interim storage, and dismantlement with disposal. The recycle of components or entire accelerators following dismantlement is a definite possibility and has occurred in the past. Accelerator components can be recycled either immediately at accelerator shutdown or following a period of storage, depending on the nature of induced activation. Considerations of cost, radioactive waste, and radiological health are presented for four prototypic accelerators. Prototypes considered range from small accelerators having minimal amounts of radioactive mmaterial to a very large accelerator having massive components containing nonnegligible amounts of induced activation. Archival information on past decommissionings is presented, and recommendations concerning regulations and accelerator design that will aid in the decommissioning of an accelerator are given.

  7. Physical aging of glassy PMMA/toluene films: influence of drying/swelling history.

    Science.gov (United States)

    Doumenc, F; Bodiguel, H; Guerrier, B

    2008-09-01

    Gravimetry experiments in a well-controlled environment have been performed to investigate aging for a glassy PMMA/toluene film. The temperature is constant and the control parameter is the solvent vapor pressure above the film (i.e. the activity). Several experimental protocols have been used, starting from a high activity where the film is swollen and rubbery and then aging the film at different activities below the glass transition. Desorption and resorption curves have been compared for the different protocols, in particular in terms of the softening time, i.e. the time needed by the sample to recover an equilibrium state at high activity. Non-trivial behaviors have been observed, especially at small activities (deep quench). A model is proposed, extending the Leibler-Sekimoto approach to take into account the structural relaxation in the glassy state, using the Tool formalism. This model well captures some of the observed phenomena, but fails in describing the specific kinetics observed when aging is followed by a short but deep quench.

  8. Effect of tellurium addition on the physical properties of germanium selenide glassy semiconductors

    Science.gov (United States)

    Sharma, Pankaj; Katyal, S. C.

    2008-10-01

    Effect of tellurium (Te) addition on the physical properties, density ( ρ), molar volume ( Vm), compactness ( δ), cohesive energy (CE), coordination number ( m), lone pair electrons ( L) and glass transition temperature ( Tg) of Ge 10Se 90-xTe x ( x=0, 10, 20, 30, 40, 50) bulk glassy alloy has been investigated. The density of the glassy alloys has been found to increase with the increasing Te content. The molar volume and compactness of the structure of the glass, determined from measured density of the glass, have been found to increase with the increase of Te content. The CE of the investigated samples has been calculated using the chemical bond approach (CBA) and is correlated with decrease in optical band gap with the increase of Te content. The glass transition temperature has been estimated using Tichy-Ticha approach and found to increase with the increase of Te content. This has been observed that the estimated glass transition temperature using Tichy-Ticha approach is not consistent with experimental results.

  9. Effect of tellurium addition on the physical properties of germanium selenide glassy semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Pankaj [Department of Physics, Jaypee University of Information Technology, Waknaghat, Solan, H.P. 173215 (India)], E-mail: pankaj.sharma@juit.ac.in; Katyal, S.C. [Department of Physics, Jaypee University of Information Technology, Waknaghat, Solan, H.P. 173215 (India)

    2008-10-01

    Effect of tellurium (Te) addition on the physical properties, density ({rho}), molar volume (V{sub m}), compactness ({delta}), cohesive energy (CE), coordination number (m), lone pair electrons (L) and glass transition temperature (T{sub g}) of Ge{sub 10}Se{sub 90-x}Te{sub x} (x=0, 10, 20, 30, 40, 50) bulk glassy alloy has been investigated. The density of the glassy alloys has been found to increase with the increasing Te content. The molar volume and compactness of the structure of the glass, determined from measured density of the glass, have been found to increase with the increase of Te content. The CE of the investigated samples has been calculated using the chemical bond approach (CBA) and is correlated with decrease in optical band gap with the increase of Te content. The glass transition temperature has been estimated using Tichy-Ticha approach and found to increase with the increase of Te content. This has been observed that the estimated glass transition temperature using Tichy-Ticha approach is not consistent with experimental results.

  10. Effect of chemical substituents on the structure of glassy diphenyl polycarbonates.

    Science.gov (United States)

    Sulatha, M S; Natarajan, Upendra

    2011-02-24

    Polycarbonates offer a wide variety of physical property behavior that is difficult to predict due to complexities at the molecular scale. Here, the physical structure of amorphous glassy polycarbonates having aliphatic and cycloaliphatic chemical groups is explored through atomistic simulations. The influence of chemical structure on solubility parameter, torsion distributions, radial distribution function, scattering structure factor, orientation distributions of phenylene rings and carbonate groups, and free volume distributions, leading to interchain packing effects, are shown. The effect of the cyclohexyl ring at the isopropylidene carbon as compared to the effect of the methyl groups positioned on the phenylene rings results in a larger reduction in the solubility parameter (δ). The interchain distance estimated for polycarbonates in this work is in the range of 5-5.8 Å. The o-methyl groups on the phenylene rings, as compared to a cyclohexyl ring, lead to higher interchain distances. The highest interchain distance is observed with a trimethylcyclohexylidene group at the isopropylidene carbon. Atomistic simulations reveal two different types of packing arrangement of nearest-neighbor chains in the glassy state, one type of which agrees with the NMR experimental data. The fundamental insights provided here can be utilized for design of chemical structures for tailored macroscopic properties.

  11. Mediatorless solar energy conversion by covalently bonded thylakoid monolayer on the glassy carbon electrode.

    Science.gov (United States)

    Lee, Jinhwan; Im, Jaekyun; Kim, Sunghyun

    2016-04-01

    Light reactions of photosynthesis that take place in thylakoid membranes found in plants or cyanobacteria are among the most effective ways of utilizing light. Unlike most researches that use photosystem I or photosystem II as conversion units for converting light to electricity, we have developed a simple method in which the thylakoid monolayer was covalently immobilized on the glassy carbon electrode surface. The activity of isolated thylakoid membrane was confirmed by measuring evolving oxygen under illumination. Glassy carbon surfaces were first modified with partial or full monolayers of carboxyphenyl groups by reductive C-C coupling using 4-aminobenzoic acid and aniline and then thylakoid membrane was bioconjugated through the peptide bond between amine residues of thylakoid and carboxyl groups on the surface. Surface properties of modified surfaces were characterized by cyclic voltammetry, contact angle measurements, and electrochemical impedance spectroscopy. Photocurrent of 230 nA cm(-2) was observed when the thylakoid monolayer was formed on the mixed monolayer of 4-carboxylpheny and benzene at applied potential of 0.4V vs. Ag/AgCl. A small photocurrent resulted when the 4-carboxyphenyl full monolayer was used. This work shows the possibility of solar energy conversion by directly employing the whole thylakoid membrane through simple surface modification.

  12. Study of the electrochemical behavior of isorhamnetin on a glassy carbon electrode and its application.

    Science.gov (United States)

    Liu, Ai-Lin; Zhang, Shao-Bo; Chen, Wei; Huang, Li-Ying; Lin, Xin-Hua; Xia, Xing-Hua

    2008-10-19

    The electrochemical behavior of isorhamnetin (ISO) at a glassy carbon electrode was studied in a phosphate buffer solution (PBS) of pH 4.0 by cyclic voltammetry (CV) and differential pulse voltammetric method (DPV). A well-defined redox wave of ISO involving one electrons and one proton appeared. The electrode reaction is a reactant weak adsorption-controlled process with a charge transfer coefficient (alpha) of 0.586. Based on the understanding of the electrochemical process of ISO at the glassy carbon electrode, analysis of ISO can be realized. Under optimal conditions, the oxidation peak current showed linear dependence on the concentration of ISO in the range of 1.0x10(-8) to 4.0x10(-7)M and 1.0x10(-6) to 1.0x10(-5)M. The detection limit is 5.0x10(-9)M. This method has been successfully applied to the detection of ISO in tablets.

  13. Optical characterization of ion-doped crystalline and glassy matrices operating under hostile environmental conditions

    Science.gov (United States)

    Baccaro, S.; Cemmi, A.

    2016-10-01

    The aim of this work is to give an overall picture of the activity on gamma radiation effects in the field of scintillators (crystals, glasses) with specific mention to the role of ions doped in different crystalline and glassy matrices. Interesting results were obtained in terms of radiation hardness improvement and of physical-chemical properties modification as a function of the nature of dopant (i.e. rare earth as well as metallic ions) and of the scintillating host glassy and glass-ceramic matrix (silicate, phosphate, borate, oxyfluoride and mixed oxides glasses). The research activities were carried out at the 60Co gamma Calliope plant, a pool-type irradiation facility located at the Research Centre ENEA-Casaccia (Rome). Since the eighties, the Calliope facility is deeply involved in radiation processing research on materials and on devices to be used in hostile radiation environment such as nuclear plants, aerospace and High Energy Physics experiments, in the framework of international projects and collaboration with industries and research institutions.

  14. Co-based soft magnetic bulk glassy alloys optimized for glass-forming ability and plasticity

    Indian Academy of Sciences (India)

    LI LI; HUAIJUN SUN; YUNZHANG FANG; JIANLONG ZHENG

    2016-06-01

    Co-based bulk glassy alloys (BGAs) have become more and more important because of their nearly zero magnetostriction and high giant magneto-impedance effect. Here, we report the improvement of glass-formingability (GFA), soft-magnetic properties and plasticity by a small addition of Mo atoms in CoFeBSiNbMo BGAs.(Co$_{0.6}$Fe$_{0.4}$)$_{69}$B$_{20.8}$Si$_{5.2}$Nb$_{5−x}$Mo$_{x}$ ferromagnetic BGA cylindrical glassy rods were fabricated successfully with adiameter of 5 mm by conventional copper mould casting method. It reveals that the substitution of a small amount of Mo for Nb makes the composition to approach a eutectic point and effectively enhances the GFA of alloy. Inaddition to high GFA and superhigh strength, the compressive test shows that the Mo addition can improve the plasticity for the obtained BGAs. The combination of high GFA, excellent soft-magnetic properties and good plasticitydemonstrated in our alloys is promising for the future applications as functional materials.

  15. Nitric Oxide Detection with Glassy Carbon Electrodes Coated with Charge-different Polymer Films

    Directory of Open Access Journals (Sweden)

    Jianping Lei

    2005-04-01

    Full Text Available Trace amounts of nitric oxide (NO have been determined in aqueous phosphate buffersolutions (pH=7.4 by using a glassy carbon electrode coated with three charge-different polymerfilms. The glassy carbon electrode was coated first with negatively charged Nafion film containingtetrakis(pentafluorophenylporphyrin iron(III chloride (Fe(IIITPFPP as the NO oxidation catalyst,and then with positively charged poly(acrylamide-co-diallyldimethylammonium chloride (PADDAand with neutral poly(dimethylsiloxane (silicone at the outermost layer. This polymer-coatedelectrode showed an excellent selectivity towards NO against possible concomitants in blood such asnitrite, ascorbic acid, uric acid, and dopamine. All current ratios between each concomitant and NOat the cyclic voltammogram was in 10-3 ~ 10-4. This type of electrode showed a detection limit of80 nM for NO. It was speculated from the electrochemical study in methanol that high-valent oxoiron(IV of Fe(TPFPP participated in the catalytic oxidation of NO.

  16. Novel electroanalysis of hydroxyurea at glassy carbon and gold electrode surfaces

    Directory of Open Access Journals (Sweden)

    Keerti M. Naik

    2014-09-01

    Full Text Available A simple and a novel electroanalysis of hydroxyurea (HU drug at glassy carbon and gold electrode was investigated for the first time using cyclic, linear sweep and differential pulse voltammetric techniques. The oxidation of HU was irreversible and exhibited a diffusion controlled process on both electrodes. The oxidation mechanism was proposed. The dependence of the current on pH, the concentration, nature of buffer, and scan rate was investigated to optimize the experimental conditions for the determination of HU. It was found that the optimum buffer pH was 7.0, a physiological pH. In the range of 0.01 to 1.0 mM, the current measured by differential pulse voltammetry showed a linear relationship with HU concentration with limit of detection of 0.46 µM for glassy carbon electrode and 0.92 µM for gold electrode. In addition, reproducibility, precision and accuracy of the method were checked as well. The developed method was successfully applied to HU determination in pharmaceutical formulation and human biological fluids. The method finds its applications in quality control laboratories and pharmacokinetics.

  17. Incoherent chimera and glassy states in coupled oscillators with frustrated interactions

    Science.gov (United States)

    Choe, Chol-Ung; Ri, Ji-Song; Kim, Ryong-Son

    2016-09-01

    We suggest a site disorder model that describes the population of identical oscillators with quenched random interactions for both the coupling strength and coupling phase. We obtain the reduced equations for the suborder parameters, on the basis of Ott-Antonsen ansatz theory, and present a complete bifurcation analysis of the reduced system. New effects include the appearance of the incoherent chimera and glassy state, both of which are caused by heterogeneity of the coupling phases. In the incoherent chimera state, the system displays an exotic symmetry-breaking behavior in spite of the apparent structural symmetry where the oscillators for both of the two subpopulations are in a frustrated state, while the phase distribution for each subpopulation approaches a steady state that differs from each other. When the incoherent chimera undergoes Hopf bifurcation, the system displays a breathing incoherent chimera. The glassy state that occurs on a surface of three-dimensional parameter space exhibits a continuum of metastable states with zero value of the global order parameter. Explicit formulas are derived for the system's Hopf, saddle-node, and transcritical bifurcation curves, as well as the codimension-2 crossing points, including the Takens-Bogdanov point.

  18. Effect of compositional variation on the electrical properties of Se-Te-Bi-Ag glassy alloy

    Science.gov (United States)

    Kumar, Anup; Heera, Pawan; Sharma, Raman

    2015-05-01

    In this paper we have studied the effect of Ag addition on electrical properties of Se80.5Bi1.5Te18-yAgy (y = 1.0, 1.5 and 2.0 at. %) glassy system by using digital picometer (Keithley, model 6487) in the voltage range 0-300V. I-V study reveals that the glassy alloys under study exhibit ohmic behavior at low voltage and non-ohmic at high voltage. The field dependence studies for pellets reveal the ohmic nature of current for voltage less than 60V and non-ohmic nature of current for voltage greater than 60V. At higher voltage, greater than 60V, thermal effects come into plays which result in an increase in electrical conductivity. The d.c. conductivity is found to increase with an increase in Ag content. The conduction mechanism is discussed in terms of Poole-Frenkel conduction mechanism. The linearity of the plots between ln(I) and V1/2 shows that the conduction mechanism in the higher voltage range is of Poole-Frenkel type.

  19. Mechanistic study of carvacrol processing and stabilization as glassy solid solution and microcapsule.

    Science.gov (United States)

    Tackenberg, Markus W; Geisthövel, Carola; Marmann, Andreas; Schuchmann, Heike P; Kleinebudde, Peter; Thommes, Markus

    2015-01-30

    Essential oils and other liquid active pharmaceutical ingredients (APIs) are frequently microencapsulated to improve shelf life, handling, and for tailoring release. A glassy solid solution (GSS), a single-phase system, where the excipient is plasticized by the API, could be an alternative formulation system. Thus this study focuses on the investigation of two formulation strategies using carvacrol as a model compound, namely a microcapsule (MC) and a glassy solid solution (GSS). Applying the solubility parameter approach, polyvinylpyrrolidone (PVP) was chosen as a suitable matrix material for a GSS system, whereas maltodextrin and sucrose served as excipients for a microcapsule (MC) system. Differential scanning calorimetry (DSC) measurements of the excipients' glass transition temperatures and the melting point of carvacrol verified plasticizing properties of carvacrol on PVP. Batch mixing processes, as preliminary experiments for future extrusion processes, were performed to prepare GSSs and MCs with various amounts of carvacrol, followed by crushing and sieving. Maximally 4.5% carvacrol was encapsulated in the carbohydrate material, whereas up to 16.3% were stabilized as GSS, which is an outstanding amount. However, grinding of the samples led to a loss of up to 30% of carvacrol.

  20. Detection of lead ions in picomolar concentration range using underpotential deposition on silver nanoparticles-deposited glassy carbon electrodes.

    Science.gov (United States)

    Sivasubramanian, R; Sangaranarayanan, M V

    2011-09-30

    The efficacy of silver-deposited glassy carbon electrode for the determination of lead ions at the sub-nanomolar concentration ranges is investigated. The silver nanoparticles are electrodeposited on glassy carbon electrode using chronoamperometry and the electrode surface is characterized using SEM. Lead ions are detected in the region of underpotential deposition. The analysis is performed in square wave mode in the stripping voltammetry without the removal of oxygen. The detection limit of 10 pM has been obtained with a constant potential of -0.7 V during the electrodeposition step for a period of 50s. The interference of surfactants in the detection of lead ions is also studied.