Accelerating glassy dynamics using graphics processing units
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...
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...... down they typically do not enter a crystalline ordered state. Instead the atoms retain the amorphous arrangement characteristic of the liquid high temperature phase while the mobility of the molecules decreases very many orders of magnitude. This colossal change in the characteristic dynamical time...
These lecture notes can be read in two ways. The first two Sections contain a review of the phenomenology of several physical systems with slow nonequilibrium dynamics. In the Conclusions we summarize the scenario for this temporal evolution derived from the solution to some solvable models (p spin and the like) that are intimately connected to the mode coupling approach (and similar ones) to super-cooled liquids. At the end we list a number of open problems of great relevance in this context. These Sections can be read independently of the body of the paper where we present some of the basic analytic techniques used to study the out of equilibrium dynamics of classical and quantum models with and without disorder. We start the technical part by briefly discussing the role played by the environment and by introducing and comparing its representation in the equilibrium and dynamic treatment of classical and quantum systems. We next explain the role played by explicit quenched disorder in both approaches. Later on we focus on analytical techniques; we expand on the dynamic functional methods, and the diagrammatic expansions and resummations used to derive macroscopic equations from the microscopic dynamics. We show why the macroscopic dynamic equations for disordered models and those resulting from self-consistent approximations to non-disordered ones coincide. We review some generic properties of dynamic systems evolving out of equilibrium like the modifications of the fluctuation-dissipation theorem, generic scaling forms of the correlation functions, etc. Finally we solve a family of mean-field models. The connection between the dynamic treatment and the analysis of the free-energy landscape of these models is also presented. We use pedagogical examples all along these lectures to illustrate the properties and results. (author)
Active cage model of glassy dynamics.
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. PMID:27575182
Spatially heterogeneous ages in glassy dynamics
We construct a framework for the study of fluctuations in the nonequilibrium relaxation of glassy systems with and without quenched disorder. We study two types of two-time local correlators with the aim of characterizing the heterogeneous evolution in these systems: in one case we average the local correlators over histories of the thermal noise, in the other case we simply coarse-grain the local correlators obtained for a given noise realization. We explain why the noise-averaged correlators describe the fingerprint of quenched disorder when it exists, while the coarse-grained correlators are linked to noise-induced mesoscopic fluctuations. We predict constraints on the distribution of the fluctuations of the coarse-grained quantities. In particular, we show that locally defined correlations and responses are connected by a generalized local out-of-equilibrium fluctuation-dissipation relation. We argue that large size heterogeneities in the age of the system survive in the long-time limit. A symmetry of the underlying theory, namely invariance under reparametrizations of the time coordinates, underlies these results. We establish a connection between the probabilities of spatial distributions of local coarse-grained quantities and the theory of dynamic random manifolds. We define, and discuss the behavior of, a two-time dependent correlation length from the spatial decay of the fluctuations in the two-time local functions. We characterize the fluctuations in the system in terms of their fractal properties. For concreteness, we present numerical tests performed on disordered spin models in finite and infinite dimensions. Finally, we explain how these ideas can be applied to the analysis of the dynamics of other glassy systems that can be either spin models without disorder or atomic and molecular glassy systems. (author)
Glassy dislocation dynamics in 2D colloidal dimer crystals.
Gerbode, Sharon J; Agarwal, Umang; Ong, Desmond C; Liddell, Chekesha M; Escobedo, Fernando; Cohen, Itai
2010-08-13
Although glassy relaxation is typically associated with disorder, here we report on a new type of glassy dynamics relating to dislocations within 2D crystals of colloidal dimers. Previous studies have demonstrated that dislocation motion in dimer crystals is restricted by certain particle orientations. Here, we drag an optically trapped particle through such dimer crystals, creating dislocations. We find a two-stage relaxation response where initially dislocations glide until encountering particles that cage their motion. Subsequent relaxation occurs logarithmically slowly through a second process where dislocations hop between caged configurations. Finally, in simulations of sheared dimer crystals, the dislocation mean squared displacement displays a caging plateau typical of glassy dynamics. Together, these results reveal a novel glassy system within a colloidal crystal. PMID:20868079
Quasi-equilibrium in glassy dynamics: a liquid theory approach
We introduce a quasi-equilibrium formalism in the theory of liquids in order to obtain a set of coarse grained dynamical equations for the description of long time glassy relaxation. Our scheme allows to use typical approximations devised for equilibrium to study glassy dynamics. After introducing dynamical Ornstein–Zernike relations, we focus on the hypernetted chain (HNC) approximation and a recent closure scheme developed by Szamel. In both cases we get dynamical equations that have the structure of the mode-coupling theory (MCT) equations in the long time regime. The HNC approach, that was so far used to get equilibrium quantities is thus generalized to a fully consistent scheme where long-time dynamic quantities can also be computed. In the context of this approximation we get an asymptotic description of both equilibrium glassy dynamics at high temperature and of aging dynamics at low temperature. The Szamel approximation on the other hand is shown to lead to the canonical MCT equations obtained by Götze for equilibrium dynamics. We clarify the way phase space is sampled according to MCT during dynamical relaxation. (fast track communication)
Glassy dynamics in condensed isolated polymer chains.
Tress, Martin; Mapesa, Emmanuel U; Kossack, Wilhelm; Kipnusu, Wycliffe K; Reiche, Manfred; Kremer, Friedrich
2013-09-20
In the course of miniaturization down to the nanometer scale, much remains unknown concerning how and to what extent the properties of materials are changed. To learn more about the dynamics of condensed isolated polymer chains, we used broadband dielectric spectroscopy and a capacitor with nanostructured electrodes separated by 35 nanometers. We measured the dynamic glass transition of poly(2-vinylpyridine) and found it to be bulk-like; only segments closer than 0.5 nanometer to the substrate were weakly slowed. Our approach paves the way for numerous experiments on the dynamics of isolated molecules. PMID:24052303
Glassy dynamics in a confined monatomic fluid
Krishnan, S. H.; Ayappa, K. G.
2012-07-01
Molecular dynamic simulations of a strongly inhomogeneous system reveals that a single-component soft-sphere fluid can behave as a fragile glass former due to confinement. The self-intermediate scattering function, Fs(k,t), of a Lennard-Jones fluid confined in slit-shaped pores, which can accomodate two to four fluid layers, exhibits a two-step relaxation at moderate temperatures. The mean-squared displacement data are found to follow time-temperature superposition and both the self-diffusivity and late α relaxation times exhibit power-law divergences as the fluid is cooled. The system possesses a crossover temperature and follows the scalings of mode coupling theory for the glass transition. The temperature dependence of the self-diffusivity can be expressed using the Vogel-Fulcher-Tammann equation, and estimates of the fragility index of the system indicates a fragile glass former. At lower temperatures, signatures of additional relaxation processes are observed in the various dynamical quantities with a three-step relaxation observed in the Fs(k,t).
Non-Equilibrium Water-Glassy Polymer Dynamics
Davis, Eric; Minelli, Matteo; Baschetti, Marco; Sarti, Giulio; Elabd, Yossef
2012-02-01
For many applications (e.g., medical implants, packaging), an accurate assessment and fundamental understanding of the dynamics of water-glassy polymer interactions is of great interest. In this study, sorption and diffusion of pure water in several glassy polymers films, such as poly(styrene) (PS), poly(methyl methacrylate) (PMMA), poly(lactide) (PLA), were measured over a wide range of vapor activities and temperatures using several experimental techniques, including quartz spring microbalance (QSM), quartz crystal microbalance (QCM), and time-resolved Fourier transform infrared-attenuated total reflectance (FTIR-ATR) spectroscopy. Non-Fickian behavior (diffusion-relaxation phenomena) was observed by all three techniques, while FTIR-ATR spectroscopy also provides information about the distribution of the states of water and water transport mechanisms on a molecular-level. Specifically, the states of water are significantly different in PS compared to PMMA and PLA. Additionally, a purely predictive non-equilibrium lattice fluid (NELF) model was applied to predict the sorption isotherms of water in these glassy polymers.
Complex networks and glassy dynamics: walks in the energy landscape
We present a simple mathematical framework for the description of the dynamics of glassy systems in terms of a random walk in a complex energy landscape pictured as a network of minima. We show how to use the tools developed for the study of dynamical processes on complex networks, in order to go beyond mean-field models that consider that all minima are connected to each other. We consider several possibilities for the rates of transitions between minima, and show that in all cases the existence of a glassy phase depends on a delicate interplay between the network's topology and the relationship between the energy and degree of a minimum. Interestingly, the network's degree correlations and the details of the transition rates do not play any role in the existence (or in the value) of the transition temperature, but have an impact only on more involved properties. For Glauber or Metropolis rates in particular, we find that the low temperature phase can be further divided into two regions with different scaling properties of the average trapping time. Overall, our results rationalize and link the empirical findings concerning correlations between the energies of the minima and their degrees, and should stimulate further investigations on this issue
Accelerating Fermionic Molecular Dynamics
Clark, M. A.; Kennedy, A. D.
2004-01-01
We consider how to accelerate fermionic molecular dynamics algorithms by introducing n pseudofermion fields coupled with the nth root of the fermionic kernel. This reduces the maximum pseudofermionic force, and thus allows a larger molecular dynamics integration step size without hitting an instability in the integrator.
Glassy Dynamics versus Thermodynamics: The Case of 2-Adamantanone.
Szewczyk, D; Jeżowski, A; Vdovichenko, G A; Krivchikov, A I; Bermejo, F J; Tamarit, J Ll; Pardo, L C; Taylor, J W
2015-07-01
The heat capacity and thermal conductivity of the monoclinic and the fully ordered orthorhombic phases of 2-adamantanone (C10H14O) have been measured for temperatures between 2 and 150 K. The heat capacities for both phases are shown to be strikingly close regardless of the site disorder present in the monoclinic crystal which arises from the occupancy of three nonequivalent sites for the oxygen atom. The heat capacity curves are also well accounted for by an evaluation carried out within the harmonic approximation in terms of the g(ω) vibrational frequency distributions measured by means of inelastic neutron scattering. Such spectral functions show however a significant excess of low frequency modes for the crystal showing statistical disorder. In contrast, large differences are found for the thermal conductivity which contrary to what could be expected, shows the substitutionally disordered crystal to exhibit better heat transport properties than the fully ordered orthorhombic phase. Such an anomalous behavior is understood from examination of the crystalline structure of the orthorhombic phase which leads to very strong scattering of heat-carrying phonons due to grain boundary effects able to yield a largely reduced value of the conductivity as well as to a plateau-like feature at intermediate temperatures which contrasts with a bell-shaped maximum shown by data pertaining the disordered crystal. The relevance of the present findings within the context of glassy dynamics of the orientational glass state is finally discussed. PMID:26073682
GPU accelerated dislocation dynamics
Ferroni, Francesco; Tarleton, Edmund; Fitzgerald, Steven
2014-09-01
In this paper we analyze the computational bottlenecks in discrete dislocation dynamics modeling (associated with segment-segment interactions as well as the treatment of free surfaces), discuss the parallelization and optimization strategies, and demonstrate the effectiveness of Graphical Processing Unit (GPU) computation in accelerating dislocation dynamics simulations and expanding their scope. Individual algorithmic benchmark tests as well as an example large simulation of a thin film are presented.
Fierro, Annalisa; Nicodemi, Mario; Coniglio, Antonio
2001-01-01
The present paper proposes a Statistical Mechanics approach to the inherent states of glassy systems and granular materials, following the original ideas developed by Edwards for granular materials. Two lattice models, a diluted Spin Glass and a system of hard-spheres under gravity, introduced in the context of glassy systems and granular materials, are evolved using a ``tap dynamics'' analogous to that of experiments on granular materials. The asymptotic macrostates, reached by the system, a...
Strain-accelerated dynamics of soft colloidal glasses
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.
Nonlinear dynamics in particle accelerators
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
Klix, Christian L.; Royall, C. Patrick; Tanaka, Hajime
2010-01-01
Systems in which a short-ranged attraction and long-ranged repulsion compete are intrinsically frustrated, leading their structure and dynamics to be dominated either by mesoscopic order or by metastable disorder. Here we report the latter case in a colloidal system with long-ranged electrostatic repulsions and short-ranged depletion attractions. We find a variety of states exhibiting slow non-diffusive dynamics: a gel, a glassy state of clusters, and a state reminiscent of a Wigner glass. Va...
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.
Fast dynamics of substituted polyacetylenes in glassy states and its relation to gas permeability
We studied local dynamics of three substituted polyacetylenes in glassy states using a quasielastic neutron scattering technique in an energy range from -2 to 10 meV and found a clear correlation between the local mobility and the gas permeability in these polymers. On the basis of the Q dependence of the relaxation rate we will discuss possible motions related to the gas permeability. (author)
Glassy Dynamics in the Adaptive Immune Response Prevents Autoimmune Disease
Sun, Jun; Deem, Michael
2006-03-01
The immune system normally protects the human host against death by infection. However, when an immune response is mistakenly directed at self antigens, autoimmune disease can occur. We describe a model of protein evolution to simulate the dynamics of the adaptive immune response to antigens. Computer simulations of the dynamics of antibody evolution show that different evolutionary mechanisms, namely gene segment swapping and point mutation, lead to different evolved antibody binding affinities. Although a combination of gene segment swapping and point mutation can yield a greater affinity to a specific antigen than point mutation alone, the antibodies so evolved are highly cross-reactive and would cause autoimmune disease, and this is not the chosen dynamics of the immune system. We suggest that in the immune system a balance has evolved between binding affinity and specificity in the mechanism for searching the amino acid sequence space of antibodies. Our model predicts that chronic infection may lead to autoimmune disease as well due to cross-reactivity and suggests a broad distribution for the time of onset of autoimmune disease due to chronic exposure. The slow search of antibody sequence space by point mutation leads to the broad of distribution times.
Glassy protein dynamics and gigantic solvent reorganization energy of plastocyanin
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.
Dynamics and Geometry of Icosahedral Order in Liquid and Glassy Phases of Metallic Glasses
Masato Shimono
2015-07-01
Full Text Available The geometrical properties of the icosahedral ordered structure formed in liquid and glassy phases of metallic glasses are investigated by using molecular dynamics simulations. We investigate the Zr-Cu alloy system as well as a simple model for binary alloys, in which we can change the atomic size ratio between alloying components. In both cases, we found the same nature of icosahedral order in liquid and glassy phases. The icosahedral clusters are observed in liquid phases as well as in glassy phases. As the temperature approaches to the glass transition point Tg, the density of the clusters rapidly grows and the icosahedral clusters begin to connect to each other and form a medium-range network structure. By investigating the geometry of connection between clusters in the icosahedral network, we found that the dominant connecting pattern is the one sharing seven atoms which forms a pentagonal bicap with five-fold symmetry. From a geometrical point of view, we can understand the mechanism of the formation and growth of the icosahedral order by using the Regge calculus, which is originally employed to formulate a theory of gravity. The Regge calculus tells us that the distortion energy of the pentagonal bicap could be decreased by introducing an atomic size difference between alloying elements and that the icosahedral network would be stabilized by a considerably large atomic size difference.
Microscopic theory of the glassy dynamics of passive and active network materials.
Wang, Shenshen; Wolynes, Peter G
2013-03-28
Signatures of glassy dynamics have been identified experimentally for a rich variety of materials in which molecular networks provide rigidity. Here we present a theoretical framework to study the glassy behavior of both passive and active network materials. We construct a general microscopic network model that incorporates nonlinear elasticity of individual filaments and steric constraints due to crowding. Based on constructive analogies between structural glass forming liquids and random field Ising magnets implemented using a heterogeneous self-consistent phonon method, our scheme provides a microscopic approach to determine the mismatch surface tension and the configurational entropy, which compete in determining the barrier for structural rearrangements within the random first order transition theory of escape from a local energy minimum. The influence of crosslinking on the fragility of inorganic network glass formers is recapitulated by the model. For active network materials, the mapping, which correlates the glassy characteristics to the network architecture and properties of nonequilibrium motor processes, is shown to capture several key experimental observations on the cytoskeleton of living cells: Highly connected tense networks behave as strong glass formers; intense motor action promotes reconfiguration. The fact that our model assuming a negative motor susceptibility predicts the latter suggests that on average the motorized processes in living cells do resist the imposed mechanical load. Our calculations also identify a spinodal point where simultaneously the mismatch penalty vanishes and the mechanical stability of amorphous packing disappears. PMID:23556772
Cooling Rate Dependent Ellipsometry Measurements to Determine the Dynamics of Thin Glassy Films.
Glor, Ethan C; Fakhraai, Zahra
2016-01-01
This report aims to fully describe the experimental technique of using ellipsometry for cooling rate dependent Tg (CR-Tg) experiments. These measurements are simple high-throughput characterization experiments, which can determine the glass transition temperature (Tg), average dynamics, fragility and the expansion coefficient of the super-cooled liquid and glassy states for a variety of glassy materials. This technique allows for these parameters to be measured in a single experiment, while other methods must combine a variety of different techniques to investigate all of these properties. Measurements of dynamics close to Tg are particularly challenging. The advantage of cooling rate dependent Tg measurements over other methods which directly probe bulk and surface relaxation dynamics is that they are relatively quick and simple experiments, which do not utilize fluorophores or other complicated experimental techniques. Furthermore, this technique probes the average dynamics of technologically relevant thin films in temperature and relaxation time (τα) regimes relevant to the glass transition (τα > 100 sec). The limitation to using ellipsometry for cooling rate dependent Tg experiments is that it cannot probe relaxation times relevant to measurements of viscosity (τα film remains throughout the experiment. PMID:26863256
Object-Oriented Programming has been used extensively to model the LBL Advanced Light Source 1.5 GeV electron storage ring. This paper is on the present status of the class library construction with emphasis on a dynamic modeling
Internal stress drives slow glassy dynamics and quake-like behaviour in ionotropic pectin gels.
Mansel, Bradley W; Williams, Martin A K
2015-09-21
Frustrated, out-of-equilibrium materials have been of considerable interest for some time and continue to be some of the least understood materials. Recent measurements have shown that many gelled biopolymer materials display slow dynamics on timescales greater than one second, that are not accessible with typical methods, and are characteristic of glassy trapped systems. In this study we have controlled the fine structure of the anionic polysaccharide pectin in order to construct a series of ionotropic gels having differing binding energies between the constituent chains, in an attempt to further understand the slow dynamical processes occurring. Using multi-speckle light scattering techniques it is shown that the slow dynamics observed in these gelled systems are stress-driven. As the binding lengths, and thus the binding energies, of the junction zones between the polymer chains in these networks increase the long-time dynamics initially slow, as might be expected, until a critical level of internal stress is reached upon which the dynamics increase significantly, with gentle creaking punctuated by localised stress-relieving quakes. PMID:26242797
Confinement-Induced Glassy Dynamics in a Model for Chromosome Organization
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 organization.
Quasi-elastic neutron scattering studies of the slow dynamics of supercooled and glassy aspirin
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.
Quasi-Elastic Neutron Scattering Studies of the Slow Dynamics of Supercooled and Glassy Aspirin
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.
Hysteresis, reentrance, and glassy dynamics in systems of self-propelled rods
Kuan, Hui-Shun; Blackwell, Robert; Hough, Loren E.; Glaser, Matthew A.; Betterton, M. D.
2015-12-01
Nonequilibrium active matter made up of self-driven particles with short-range repulsive interactions is a useful minimal system to study active matter as the system exhibits collective motion and nonequilibrium order-disorder transitions. We studied high-aspect-ratio self-propelled rods over a wide range of packing fractions and driving to determine the nonequilibrium state diagram and dynamic properties. Flocking and nematic-laning states occupy much of the parameter space. In the flocking state, the average internal pressure is high and structural and mechanical relaxation times are long, suggesting that rods in flocks are in a translating glassy state despite overall flock motion. In contrast, the nematic-laning state shows fluidlike behavior. The flocking state occupies regions of the state diagram at both low and high packing fraction separated by nematic-laning at low driving and a history-dependent region at higher driving; the nematic-laning state transitions to the flocking state for both compression and expansion. We propose that the laning-flocking transitions are a type of glass transition that, in contrast to other glass-forming systems, can show fluidization as density increases. The fluid internal dynamics and ballistic transport of the nematic-laning state may promote collective dynamics of rod-shaped micro-organisms.
Spinodals with Disorder: From Avalanches in Random Magnets to Glassy Dynamics
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.
Effect of annealing on glassy dynamics and non-Fermi liquid behavior in UCu4Pd
Longitudinal-field muon spin relaxation (LF-μSR) experiments have been performed in unannealed and annealed samples of the heavy-fermion compound UCu4Pd to study the effect of disorder on non-Fermi liquid behavior in this material. The muon spin relaxation functions G(t,H) obey the time-field scaling relation G(t,H)=G(t/Hγ) previously observed in this compound. The observed scaling exponent γ=0.3+/-0.1, independent of annealing. Fits of the stretched- exponential relaxation function G(t)=exp[-(Λt)K] to the data yielded stretching exponentials K<1 for all samples. Annealed samples exhibited a reduction of the relaxation rate at low temperatures, indicating that annealing shifts fluctuation noise power to higher frequencies. There was no tendency of the inhomogeneous spread in rates to decrease with annealing, which modifies but does not eliminate the glassy spin dynamics reported previously in this compound. The correlation with residual resistivity previously observed for a number of NFL heavy-electron materials is also found in the present work
Frechero, M. A.; Alarcón, L. M.; Schulz, E. P.; Appignanesi, G. A.
2007-01-01
Dynamics in glass-forming liquids in the supercooled regime vary considerably from one point of the sample to another suggesting the existence of regions with different degrees of jamming. In fact, the existence of relatively compact regions with particles with an enhanced propensity for motion has been detected in model glassy systems. In turn, the structural relaxation has been shown to be accomplished by means of a series of fast transitions between metabasins in the potential energy landscape involving the collective motion of a substantial number of particles arranged in relatively compact clusters (democratic clusters or d clusters). In this work we shall complete this picture by identifying the connections between local structural jamming, metabasin confining strength, and d clusters. Thus we shall demonstrate that the degree of jamming of the local structure dictates the confining strength of the local metabasin and that the local high propensity regions and the d clusters are not only similar in nature but that they share a significant amount of particles.
ACCELERATORS: Nonlinear dynamics in Sardinia
In the last few years, two schools devoted to accelerator physics have been set up, one on either side of the Atlantic. The US School on High Energy Particle Accelerators has organized Summer Schools on the physics of particle accelerators, hosted by the major American Laboratories, each year since 1981
Kipnusu, Wycliffe K; Elsayed, Mohamed; Kossack, Wilhelm; Pawlus, Sebastian; Adrjanowicz, Karolina; Tress, Martin; Mapesa, Emmanuel U; Krause-Rehberg, Reinhard; Kaminski, Kamil; Kremer, Friedrich
2015-09-17
Broadband dielectric spectroscopy and positron annihilation lifetime spectroscopy are employed to study the molecular dynamics and effective free volume of 2-ethyl-1-hexanol (2E1H) in the bulk state and when confined in unidirectional nanopores with average diameters of 4, 6, and 8 nm. Enhanced α-relaxations with decreasing pore diameters closer to the calorimetric glass-transition temperature (T(g)) correlate with the increase in the effective free volume. This indicates that the glassy dynamics of 2D constrained 2E1H is mainly controlled by density variation. PMID:26722745
Modified Newtonian dynamics from acceleration fluctuations
Jordan, Thomas F.
2004-01-01
A speculative mathematical model is used to generate the modified Newtonian dynamics called MOND from fluctuations of the number of quanta of quantized acceleration. The one new parameter can be chosen either to make the transition to modification comparable to that obtained from the functions used to fit data with MOND, or to make the modification at larger accelerations comparable in magnitude to the unexplained accelerations of Pioneer 10 and 11.
Ion dynamics and acceleration in relativistic shocks
Martins, S. F.; Fonseca, R. A.; Silva, L. O.; Mori, W. B.
2009-01-01
Ab-initio numerical study of collisionless shocks in electron-ion unmagnetized plasmas is performed with fully relativistic particle in cell simulations. The main properties of the shock are shown, focusing on the implications for particle acceleration. Results from previous works with a distinct numerical framework are recovered, including the shock structure and the overall acceleration features. Particle tracking is then used to analyze in detail the particle dynamics and the acceleration ...
Parallel beam dynamics simulation of linear accelerators
Qiang, Ji; Ryne, Robert D.
2002-01-01
In this paper we describe parallel particle-in-cell methods for the large scale simulation of beam dynamics in linear accelerators. These techniques have been implemented in the IMPACT (Integrated Map and Particle Accelerator Tracking) code. IMPACT is being used to study the behavior of intense charged particle beams and as a tool for the design of next-generation linear accelerators. As examples, we present applications of the code to the study of emittance exchange in high intensity b...
Quantum optical device accelerating dynamic programming
Grigoriev, D.; Kazakov, A.; Vakulenko, S
2005-01-01
In this paper we discuss analogue computers based on quantum optical systems accelerating dynamic programming for some computational problems. These computers, at least in principle, can be realized by actually existing devices. We estimate an acceleration in resolving of some NP-hard problems that can be obtained in such a way versus deterministic computers
Notes on beam dynamics in linear accelerators
Gluckstern, R.L.
1980-09-01
A collection of notes, on various aspects of beam dynamics in linear accelerators, which were produced by the author during five years (1975 to 1980) of consultation for the LASL Accelerator Technology (AT) Division and Medium-Energy Physics (MP) Division is presented.
Introduction to Accelerated Molecular Dynamics
Perez, Danny [Los Alamos National Laboratory
2012-07-10
Molecular Dynamics is the numerical solution of the equations of motion of a set of atoms, given an interatomic potential V and some boundary and initial conditions. Molecular Dynamics is the largest scale model that gives unbiased dynamics [x(t),p(t)] in full atomistic detail. Molecular Dynamics: is simple; is 'exact' for classical dynamics (with respect to a given V); can be used to compute any (atomistic) thermodynamical or dynamical properties; naturally handles complexity -- the system does the right thing at the right time. The physics derives only from the interatomic potential.
Single particle dynamics in circular accelerators
Ruth, R.D.
1986-10-01
The purpose of this paper is to introduce the reader to the theory associated with the transverse dynamics of single particle, in circular accelerators. The discussion begins with a review of Hamiltonian dynamics and canonical transformations. The case of a single particle in a circular accelerator is considered with a discussion of non-linear terms and chromaticity. The canonical perturbation theory is presented and nonlinear resonances are considered. Finally, the concept of renormalization and residue criterion are examined. (FI)
Pulse Power Supply for Plasma Dynamic Accelerator
YANG Xuanzong; LIU Jian; FENG Chunhua; WANG Long
2008-01-01
A new concept of a coaxial plasma dynamic accelerator with a self-energized mag-netic compressor coil to simulate the effects of space debris impact is demonstrated. A brief description is presented about the pulse power supply system including the charging circuit, start switch and current transfer system along with some of the key techniques for this kind of acceler-ator. Using this accelerator configuration, ceramic beads of 100 μm in diameter were accelerated to a speed as high as 18 km/sec. The facility can be used in a laboratory setting to study impact phenomena on solar array materials, potential structural materials for use in space.
Beam dynamics in high energy particle accelerators
Wolski, Andrzej
2014-01-01
Particle accelerators are essential tools for scientific research in fields as diverse as high energy physics, materials science and structural biology. They are also widely used in industry and medicine. Producing the optimum design and achieving the best performance for an accelerator depends on a detailed understanding of many (often complex and sometimes subtle) effects that determine the properties and behavior of the particle beam. Beam Dynamics in High Energy Particle Accelerators provides an introduction to the concepts underlying accelerator beam line design and analysis, taking an approach that emphasizes the elegance of the subject and leads into the development of a range of powerful techniques for understanding and modeling charged particle beams.
Implementation of Accelerated Molecular Dynamics in NAMD
Wang, Yi; Harrison, Christopher B.; Schulten, Klaus; McCammon, J. Andrew
2011-01-01
Accelerated molecular dynamics (aMD) is an enhanced-sampling method that improves the conformational space sampling by reducing energy barriers separating different states of a system. Here we present the implementation of aMD in the parallel simulation program NAMD. We show that aMD simulations performed with NAMD have only a small overhead compared with classical MD simulations. Through example applications to the alanine dipeptide, we discuss the choice of acceleration parameters, the inte...
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...... where cyt c both sticks well to the surface and exhibits notable mobility. The observations suggest that characteristic surface specific, internally mobile protein aggregates are formed at both surfaces and that in situ molecular resolution of the STM pictures may have been achieved....
Jacobi equations and particle accelerator beam dynamics
Torrome, Ricardo Gallego
2012-01-01
A geometric formulation of the linear beam dynamics in accelerator physics is presented. In particular, it is proved that the linear transverse and longitudinal dynamics can be interpret geometrically as an approximation to the Jacobi equation of an affine averaged Lorentz connection. We introduce a specific notion reference trajectory as integral curves of the main velocity vector field. A perturbation caused by the statistical nature of the bunch of particles is considered.
Accelerated molecular dynamics simulations of protein folding
Miao, Y.; Feixas, F; Eun, C; McCammon, JA
2015-01-01
© 2015 Wiley Periodicals, Inc. 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 ...
The Modern Temperature-Accelerated Dynamics Approach.
Zamora, Richard J; Uberuaga, Blas P; Perez, Danny; Voter, Arthur F
2016-06-01
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. PMID:26979413
Structural Order in Glassy Water
Giovambattista, Nicolas; Debenedetti, Pablo G.; Sciortino, Francesco; Stanley, H. Eugene
2005-01-01
We investigate structural order in glassy water by performing classical molecular dynamics simulations using the extended simple point charge (SPC/E) model of water. We perform isochoric cooling simulations across the glass transition temperature at different cooling rates and densities. We quantify structural order by orientational and translational order metrics. Upon cooling the liquid into the glassy state, both the orientational order parameter $Q$ and translational order parameter $\\tau...
Dynamic hierarchical algorithm for accelerated microfossil identification
Wong, Cindy M.; Joseph, Dileepan
2015-02-01
Marine microfossils provide a useful record of the Earth's resources and prehistory via biostratigraphy. To study Hydrocarbon reservoirs and prehistoric climate, geoscientists visually identify the species of microfossils found in core samples. Because microfossil identification is labour intensive, automation has been investigated since the 1980s. With the initial rule-based systems, users still had to examine each specimen under a microscope. While artificial neural network systems showed more promise for reducing expert labour, they also did not displace manual identification for a variety of reasons, which we aim to overcome. In our human-based computation approach, the most difficult step, namely taxon identification is outsourced via a frontend website to human volunteers. A backend algorithm, called dynamic hierarchical identification, uses unsupervised, supervised, and dynamic learning to accelerate microfossil identification. Unsupervised learning clusters specimens so that volunteers need not identify every specimen during supervised learning. Dynamic learning means interim computation outputs prioritize subsequent human inputs. Using a dataset of microfossils identified by an expert, we evaluated correct and incorrect genus and species rates versus simulated time, where each specimen identification defines a moment. The proposed algorithm accelerated microfossil identification effectively, especially compared to benchmark results obtained using a k-nearest neighbour method.
Accelerated Molecular Dynamics Simulations of Reactive Hydrocarbon Systems
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.
Effect of annealing on glassy dynamics and non-Fermi liquid behavior in UCu{sub 4}Pd
MacLaughlin, D.E. [Department of Physics, University of California, Riverside, CA 92521 (United States)]. E-mail: macl@physics.ucr.edu; Rose, M.S. [Department of Physics, University of California, Riverside, CA 92521 (United States); Anderson, J.E. [Department of Physics, University of California, Riverside, CA 92521 (United States); Bernal, O.O. [Department of Physics and Astronomy, California State University, Los Angeles, CA 90032 (United States); Heffner, R.H. [Los Alamos National Laboratory, K764, Los Alamos, NM 87545 (United States): Japan Atomic Energy Research Institute, Tokai, Ibaraki-ken 319-1195 (Japan); Nieuwenhuys, G.J. [Kamerlingh Onnes Laboratory, Leiden University, 2300 RA Leiden (Netherlands); Baumbach, R.E. [Department of Physics and Institute for Pure and Applied Physical Sciences, University of California, San Diego, La Jolla, CA 92093 (United States); Butch, N.P. [Department of Physics and Institute for Pure and Applied Physical Sciences, University of California, San Diego, La Jolla, CA 92093 (United States); Maple, M.B. [Department of Physics and Institute for Pure and Applied Physical Sciences, University of California, San Diego, La Jolla, CA 92093 (United States)
2006-03-31
Longitudinal-field muon spin relaxation (LF-{mu}SR) experiments have been performed in unannealed and annealed samples of the heavy-fermion compound UCu{sub 4}Pd to study the effect of disorder on non-Fermi liquid behavior in this material. The muon spin relaxation functions G(t,H) obey the time-field scaling relation G(t,H)=G(t/H{sup {gamma}}) previously observed in this compound. The observed scaling exponent {gamma}=0.3+/-0.1, independent of annealing. Fits of the stretched- exponential relaxation function G(t)=exp[-({lambda}t){sup K}] to the data yielded stretching exponentials K<1 for all samples. Annealed samples exhibited a reduction of the relaxation rate at low temperatures, indicating that annealing shifts fluctuation noise power to higher frequencies. There was no tendency of the inhomogeneous spread in rates to decrease with annealing, which modifies but does not eliminate the glassy spin dynamics reported previously in this compound. The correlation with residual resistivity previously observed for a number of NFL heavy-electron materials is also found in the present work.
Effect neutron irradiation on glassy carbon
Consideration is being given to change of mass (m), volume (v), specific electric resistance (ρ), coefficient of linear thermal expansion (α), dynamic elasticity modulus (E), bending strength (σ) of glassy carbon materials under neutron irradiation. It is shown that neutron irradiation of glassy carbon leads to its shrinkage, accompanied by material disordering. Shrinkage and disordering of glassy carbon decrease with growth both of temperature of material treatment and irradiation temperature
Acceleration-induced nonlocality: kinetic memory versus dynamic memory
Chicone, C.; Mashhoon, B.
2001-01-01
The characteristics of the memory of accelerated motion in Minkowski spacetime are discussed within the framework of the nonlocal theory of accelerated observers. Two types of memory are distinguished: kinetic and dynamic. We show that only kinetic memory is acceptable, since dynamic memory leads to divergences for nonuniform accelerated motion.
Appignanesi, G. A.; Rodriguez Fris, J. A.
2009-05-01
In this work we review recent computational advances in the understanding of the relaxation dynamics of supercooled glass-forming liquids. In such a supercooled regime these systems experience a striking dynamical slowing down which can be rationalized in terms of the picture of dynamical heterogeneities, wherein the dynamics can vary by orders of magnitude from one region of the sample to another and where the sizes and timescales of such slowly relaxing regions are expected to increase considerably as the temperature is decreased. We shall focus on the relaxation events at a microscopic level and describe the finding of the collective motions of particles responsible for the dynamical heterogeneities. In so doing, we shall demonstrate that the dynamics in different regions of the system is not only heterogeneous in space but also in time. In particular, we shall be interested in the events relevant to the long-time structural relaxation or α relaxation. In this regard, we shall focus on the discovery of cooperatively relaxing units involving the collective motion of relatively compact clusters of particles, called 'democratic clusters' or d-clusters. These events have been shown to trigger transitions between metabasins of the potential energy landscape (collections of similar configurations or structures) and to consist of the main steps in the α relaxation. Such events emerge in systems quite different in nature such as simple model glass formers and supercooled amorphous water. Additionally, another relevant issue in this context consists in the determination of a link between structure and dynamics. In this context, we describe the relationship between the d-cluster events and the constraints that the local structure poses on the relaxation dynamics, thus revealing their role in reformulating structural constraints.
Space and time dynamical heterogeneity in glassy relaxation. The role of democratic clusters
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)
A cycling state that can lead to glassy dynamics in intracellular transport
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.
Glassy dynamics of poly(2-vinyl-pyridine) brushes with varying grafting density.
Neubauer, Nils; Winkler, René; Tress, Martin; Uhlmann, Petra; Reiche, Martin; Kipnusu, Wycliffe Kiprop; Kremer, Friedrich
2015-04-21
The molecular dynamics of poly(2-vinyl-pyridine) (P2VP) brushes is measured by Broadband Dielectric Spectroscopy (BDS) in a wide temperature (250 K to 440 K) and broad spectral (0.1 Hz to 1 MHz) range. This is realized using nanostructured, highly conductive silicon electrodes being separated by silica spacers as small as 35 nm. A "grafting-to"-method is applied to prepare the P2VP-brushes with five different grafting densities (0.030 nm(-2) to 0.117 nm(-2)), covering the "true-brush" regime with highly stretched coils and the "mushroom-to-brush" transition regime. The film thickness ranges between 1.8 to 7.1 (±0.2) nm. Two relaxations are observed, an Arrhenius-like process being attributed to fluctuations in the poly(glycidyl-methacrylate) (PGMA) linker used for the grafting reaction and the segmental dynamics (dynamic glass transition) of the P2VP brushes. The latter is characterized by a Vogel-Fulcher-Tammann dependence similar to bulk P2VP. The results can be comprehended considering the length scale on which the dynamic glass transition (≤1 nm) takes place. PMID:25740018
Microscopic theory of glassy dynamics and glass transition for molecular crystals
Ricker, Michael; Schilling, Rolf
2004-01-01
We derive a microscopic equation of motion for the dynamical orientational correlators of molecular crystals. Our approach is based upon mode coupling theory. Compared to liquids we find four main differences: (i) the memory kernel contains Umklapp processes, (ii) besides the static two-molecule orientational correlators one also needs the static one-molecule orientational density as an input, where the latter is nontrivial, (iii) the static orientational current density correlator does contr...
The energy landscape of glassy dynamics on the amorphous hafnium diboride surface
Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB2 glass surface, two-state hopping of 1–2 nm diameter cooperatively rearranging regions or “clusters” occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (<0.5 nm) imaging, scanning tunneling spectroscopy and voltage modulation, ruling out individual atoms, diffusing adsorbates, or pinned charges as the origin of the observed two-state hopping. Smaller clusters are more likely to hop, larger ones are more likely to be immobile. HfB2 has a very high bulk glass transition temperature Tg, and we observe no three-state hopping or sequential two-state hopping previously seen on lower Tg glass surfaces. The electronic density of states of clusters does not change when they hop up or down, allowing us to calibrate an accurate relative z-axis scale. By directly measuring and histogramming single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how “mixed” features can show up in surface dynamics of glasses
Ji, Jhong-Yi; Shih, Po-Hsun; Chan, Ting-Shan; Ma, Yuan-Ron; Wu, Sheng Yun
2015-12-01
We review the phenomenology of the exchange bias and its related effects in core-shell nanocrystals. The static and dynamic properties of the magnetization for ferromagnetic Ni-core and antiferromagnetic NiO-shell cluster glassy nanoparticles are examined, along with the pinning-depinning process, through the measurement of the conventional exchange bias, and associated with different cooling fields and particle sizes. Two significant indexes for the dipolar interaction n and multi-anisotropic barrier β derived from the dynamic magnetization are proposed, which provide a unified picture of the exchange bias mechanism and insight into the influence of the cooling field. PMID:26055474
Unveiling the complex glassy dynamics of square shoulder systems: simulations and theory.
Das, Gayatri; Gnan, Nicoletta; Sciortino, Francesco; Zaccarelli, Emanuela
2013-04-01
We performed extensive molecular dynamics (MD) simulations, supplemented by Mode Coupling Theory (MCT) calculations, for the square shoulder model, a purely repulsive potential where the hardcore is complemented by a finite shoulder. For the one-component version of this model, MCT predicted [Sperl et al., Phys. Rev. Lett. 104, 145701 (2010)] the presence of diffusion anomalies both upon cooling and upon compression and the occurrence of glass-glass transitions. In the simulations, we focus on a non-crystallising binary mixture, which, at the investigated shoulder width, shows a non-monotonic behaviour of the diffusion upon cooling but not upon isothermal compression. In addition, we find the presence of a disconnected glass-glass line in the phase diagram, ending in two higher order singularities. These points generate a logarithmic dependence of the density correlators as well as a subdiffusive behaviour of the mean squared displacement, although with the interference of the nearby liquid-glass transition. We also perform novel MCT calculations using as input the partial structure factors obtained within MD, confirming the simulation results. The presence of two hard sphere glasses, differing only in their hardcore length, is revealed, showing that the simple competition between the two is sufficient for creating a rather complex dynamical behaviour. PMID:23574238
The energy landscape of glassy dynamics on the amorphous hafnium diboride surface
Nguyen, Duc; Girolami, Gregory S. [Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Beckman Institute, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Mallek, Justin [Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Cloud, Andrew N.; Abelson, John R. [Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Lyding, Joseph [Beckman Institute, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Department of Electrical and Computer Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Gruebele, Martin, E-mail: mgruebel@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Beckman Institute, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)
2014-11-28
Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB{sub 2} glass surface, two-state hopping of 1–2 nm diameter cooperatively rearranging regions or “clusters” occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (<0.5 nm) imaging, scanning tunneling spectroscopy and voltage modulation, ruling out individual atoms, diffusing adsorbates, or pinned charges as the origin of the observed two-state hopping. Smaller clusters are more likely to hop, larger ones are more likely to be immobile. HfB{sub 2} has a very high bulk glass transition temperature T{sub g}, and we observe no three-state hopping or sequential two-state hopping previously seen on lower T{sub g} glass surfaces. The electronic density of states of clusters does not change when they hop up or down, allowing us to calibrate an accurate relative z-axis scale. By directly measuring and histogramming single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how “mixed” features can show up in surface dynamics of glasses.
Spectral Ewald Acceleration of Stokesian Dynamics for polydisperse suspensions
Wang, Mu; Brady, John F.
2016-02-01
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 and Tornberg (2010) [29
Accelerator dynamics of a fractional kicked rotor
Iomin, A.
2006-01-01
It is shown that the Weyl fractional derivative can quantize an open system. A fractional kicked rotor is studied in the framework of the fractional Schrodinger equation. The system is described by the non-Hermitian Hamiltonian by virtue of the Weyl fractional derivative. Violation of space symmetry leads to acceleration of the orbital momentum. Quantum localization saturates this acceleration, such that the average value of the orbital momentum can be a direct current and the system behaves ...
Symbolic mathematical computing: orbital dynamics and application to accelerators
Computer-assisted symbolic mathematical computation has become increasingly useful in applied mathematics. A brief introduction to such capabilitites and some examples related to orbital dynamics and accelerator physics are presented. (author)
Dynamic Spectrum Sensing Through Accelerated Particle Swarm Optimization
Paschos, Alexandros E.; Kapinas, Vasileios M.; Hadjileontiadis, Leontios J.; Karagiannidis, George K.
2015-01-01
A novel optimization algorithm, called accelerated particle swarm optimization (APSO), is proposed for dynamic spectrum sensing in cognitive radio networks. While modified swarm-based optimization algorithms focus on slight variations of the standard mathematical formulas, in APSO, the acceleration variable of the particles in the swarm is also considered in the search space of the optimization problem. We show that the proposed APSO-based dynamic spectrum sensing technique is more efficient ...
Beam dynamics studies in a tesla positron pre-accelerator
Moiseev, V A; Flöttmann, K
2001-01-01
The TESLA linear collider is based on superconducting accelerating cavities.Behind the positron production target normal conducting cavities have to be used in order to cope with high particle losses and with focusing solenoid surrounding the cavities.The main purpose of this pre-accelerator is to provide maximum capture efficiency for the useful part of the totally acceptable positron beam with technically reasonable parameters of the linac.The coupled optimization of the capture optics behind the target and pre-accelerator rf-operation has been carried out.The beam dynamics simulation results as well as the pre-accelerator peculiarities are presented.
The international entrepreneurial dynamics of accelerated internationalization
John A. Mathews; Zander, Ivo
2007-01-01
New forms of international business and multinational enterprises continue to be observed, and finding ways to account for their appearance constitutes a continuing challenge for IB scholars. In this paper we aim to delineate an emerging field of IB scholarship; we focus on the appearance of international new ventures, and the phenomenon of early and accelerated internationalization that they feature, as one that has slipped through the net of some of the existing IB frameworks. We propose th...
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.
Laser fields in dynamically ionized plasma structures for coherent acceleration
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.
Nonlinear dynamics of autonomous vehicles with limits on acceleration
Davis, L. C.
2014-07-01
The stability of autonomous vehicle platoons with limits on acceleration and deceleration is determined. If the leading-vehicle acceleration remains within the limits, all vehicles in the platoon remain within the limits when the relative-velocity feedback coefficient is equal to the headway time constant [k=1/h]. Furthermore, if the sensitivity α>1/h, no collisions occur. String stability for small perturbations is assumed and the initial condition is taken as the equilibrium state. Other values of k and α that give stability with no collisions are found from simulations. For vehicles with non-negligible mechanical response, simulations indicate that the acceleration-feedback-control gain might have to be dynamically adjusted to obtain optimal performance as the response time changes with engine speed. Stability is demonstrated for some perturbations that cause initial acceleration or deceleration greater than the limits, yet do not cause collisions.
Spin dynamics in storage rings and linear accelerators
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
Accelerating Dynamic Cardiac MR Imaging Using Structured Sparse Representation
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.
A structural approach to relaxation in glassy liquids
Schoenholz, S. S.; Cubuk, E. D.; Sussman, D. M.; Kaxiras, E.; Liu, A. J.
2016-05-01
In contrast with crystallization, there is no noticeable structural change at the glass transition. Characteristic features of glassy dynamics that appear below an onset temperature, T0 (refs ,,), are qualitatively captured by mean field theory, which assumes uniform local structure. Studies of more realistic systems have found only weak correlations between structure and dynamics. This raises the question: is structure important to glassy dynamics in three dimensions? We answer this question affirmatively, using machine learning to identify a new field, `softness' which characterizes local structure and is strongly correlated with dynamics. We find that the onset of glassy dynamics at T0 corresponds to the onset of correlations between softness (that is, structure) and dynamics. Moreover, we construct a simple model of relaxation that agrees well with our simulation results, showing that a theory of the evolution of softness in time would constitute a theory of glassy dynamics.
Beam dynamics studies of the Heavy Ion Fusion Accelerator injector
A driver-scale injector for the Heavy Ion Fusion Accelerator project has been built at LBL. This machine has exceeded the design goals of high voltage (> 2 MV), high current (> 0.8 A of K+) and low normalized emittance (< 1 π mm-mr). The injector consists of a 750 keV diode pre-injector followed by an electrostatic quadrupole accelerator (ESQ) which provides strong (alternating gradient) focusing for the space-charge dominated beam and simultaneously accelerates the ions to 2 MeV. The fully 3-D PIC code WARP together with EGUN and POISSON were used to design the machine and analyze measurements of voltage, current and phase space distributions. A comparison between beam dynamics characteristics as measured for the injector and corresponding computer calculations will be presented
Spectral Ewald Acceleration of Stokesian Dynamics for polydisperse suspensions
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...
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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.
Glassy behavior in magnetic fine particles
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.
GPU accelerated dynamic functional connectivity analysis for functional MRI data.
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. PMID:25805449
Ferromagnetic bulk glassy alloys
This paper deals with the review on the formation, thermal stability and magnetic properties of the Fe-based bulk glassy alloys in as-cast bulk and melt-spun ribbon forms. A large supercooled liquid region over 50 K before crystallization was obtained in Fe-(Al, Ga)-(P, C, B, Si), Fe-(Cr, Mo, Nb)-(Al, Ga)-(P, C, B) and (Fe, Co, Ni)-Zr-M-B (M=Ti, Hf, V, Nb, Ta, Cr, Mo and W) systems and bulk glassy alloys were produced in a thickness range below 2 mm for the Fe-(Al, Ga)-(P, C, B, Si) system and 6 mm for the Fe-Co-(Zr, Nb, Ta)-(Mo, W)-B system by copper-mold casting. The ring-shaped glassy Fe-(Al, Ga)-(P, C, B, Si) alloys exhibit much better soft magnetic properties as compared with the ring-shaped alloy made from the melt-spun ribbon because of the formation of the unique domain structure. The good combination of high glass-forming ability and good soft magnetic properties indicates the possibility of future development as a new bulk glassy magnetic material
Radio Frequency Station - Beam Dynamics Interaction in Circular Accelerators
Mastoridis, Themistoklis; /Stanford U., Elect. Eng. Dept. /SLAC
2011-03-01
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
Radio Frequency Station - Beam Dynamics Interaction in Circular Accelerators
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
Radio Frequency Station - Beam Dynamics Interaction in Circular Accelerators
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
A gas-dynamical approach to radiation pressure acceleration
Schmidt, Peter; Boine-Frankenheim, Oliver
2016-06-01
The study of high intensity ion beams driven by high power pulsed lasers is an active field of research. Of particular interest is the radiation pressure acceleration, for which simulations predict narrow band ion energies up to GeV. We derive a laser-piston model by applying techniques for non-relativistic gas-dynamics. The model reveals a laser intensity limit, below which sufficient laser-piston acceleration is impossible. The relation between target thickness and piston velocity as a function of the laser pulse length yields an approximation for the permissible target thickness. We performed one-dimensional Particle-In-Cell simulations to confirm the predictions of the analytical model. These simulations also reveal the importance of electromagnetic energy transport. We find that this energy transport limits the achievable compression and rarefies the plasma.
Kapko, Vitaliy; Zhao, Zuofeng; Matyushov, Dmitry V; Austen Angell, C
2013-03-28
also be highly fragile systems, approaching the "ideal glass" condition. We link this to the high "volume fragility" behavior observed in recent hard dumbbell studies at similar length∕diameter ratios [R. Zhang and K. S. Schweitzer, J. Chem. Phys. 133, 104902 (2010)]. The discussion suggests some unusual systems for laboratory study. Using differential scanning calorimetry detection of fusion points T(m), liquidus temperatures T(l), and glass transition temperatures T(g), we describe a system that would seem incapable of crystallizing before glass transition, i.e., an "ideal glassformer." The existence of crystal-free routes to the glassy state will eliminate precrystalline fluctuations as a source of the dynamic heterogeneities that are generally considered important in the discussion of the "glassy state problem [P. W. Anderson, Science 267, 1615 (1995)]." PMID:23556800
Kapko, Vitaliy; Zhao, Zuofeng; Matyushov, Dmitry V.; Austen Angell, C.
2013-03-01
of "ideal glassformers" - single or multicomponent liquids that vitrify before ever becoming metastable with respect to crystals. We find evidence that "ideal glassformer" systems might also be highly fragile systems, approaching the "ideal glass" condition. We link this to the high "volume fragility" behavior observed in recent hard dumbbell studies at similar length/diameter ratios [R. Zhang and K. S. Schweitzer, J. Chem. Phys. 133, 104902 (2010), 10.1063/1.3483601]. The discussion suggests some unusual systems for laboratory study. Using differential scanning calorimetry detection of fusion points Tm, liquidus temperatures Tl, and glass transition temperatures Tg, we describe a system that would seem incapable of crystallizing before glass transition, i.e., an "ideal glassformer." The existence of crystal-free routes to the glassy state will eliminate precrystalline fluctuations as a source of the dynamic heterogeneities that are generally considered important in the discussion of the "glassy state problem [P. W. Anderson, Science 267, 1615 (1995), 10.1126/science.267.5204.1615-e]."
The Acceleration Scale, Modified Newtonian Dynamics and Sterile Neutrinos
Diaferio, Antonaldo; Angus, Garry W.
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 MOND with hot dark matter made of sterile neutrinos seems to be able to describe most of the astrophysical phenomenology, from the power spectrum of the cosmic microwave background anisotropies to the dynamics of dwarf galaxies. Whether there exists a yet unknown covariant theory that contains general relativity and Newtonian gravity in the weak field limit and MOND as the ultra-weak field limit is still an open question.
Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo
Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficient as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In most cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems
Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo
Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficient as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In many cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems
Structural order in glassy water.
Giovambattista, Nicolas; Debenedetti, Pablo G; Sciortino, Francesco; Stanley, H Eugene
2005-06-01
We investigate structural order in glassy water by performing classical molecular dynamics simulations using the extended simple point charge (SPC/E) model of water. We perform isochoric cooling simulations across the glass transition temperature at different cooling rates and densities. We quantify structural order by orientational and translational order metrics. Upon cooling the liquid into the glassy state, both the orientational order parameter Q and translational order parameter tau increase. At T=0 K, the glasses fall on a line in the Q-tau plane or order map. The position of this line depends only on density and coincides with the location in the order map of the inherent structures (IS) sampled upon cooling. We evaluate the energy of the IS, eIS(T), and find that both order parameters for the IS are proportional to eIS. We also study the structural order during the transformation of low-density amorphous ice (LDA) to high-density amorphous ice (HDA) upon isothermal compression and are able to identify distinct regions in the order map corresponding to these glasses. Comparison of the order parameters for LDA and HDA with those obtained upon isochoric cooling indicates major structural differences between glasses obtained by cooling and glasses obtained by compression. These structural differences are only weakly reflected in the pair correlation function. We also characterize the evolution of structural order upon isobaric annealing, leading at high pressure to very-high density amorphous ice (VHDA). PMID:16089741
Accelerating convergence of molecular dynamics-based structural relaxation
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...
The Acceleration Scale, Modified Newtonian Dynamics, and Sterile Neutrinos
Antonaldo DiaferioUniversita' di Torino and INFN Torino; Angus, Garry W.
2015-01-01
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 standa...
Enhanced Lipid Diffusion and Mixing in Accelerated Molecular Dynamics
Wang, Yi; Markwick, Phineus R.L.; de Oliveira, César Augusto F.; McCammon, J. Andrew
2011-01-01
Accelerated molecular dynamics (aMD) is an enhanced sampling technique that expedites conformational space sampling by reducing the barriers separating various low-energy states of a system. Here, we present the first application of the aMD method on lipid membranes. Altogether, ∼1.5 μs simulations were performed on three systems: a pure POPC bilayer, a pure DMPC bilayer, and a mixed POPC:DMPC bilayer. Overall, the aMD simulations are found to produce significant speedup in trans–gauche isome...
Ubiquitous "glassy" relaxation in catalytic reaction networks
Awazu, Akinori; Kaneko, Kunihiko
2009-01-01
Study of reversible catalytic reaction networks is important not only as an issue for chemical thermodynamics but also for protocells. From extensive numerical simulations and theoretical analysis, slow relaxation dynamics to sustain nonequlibrium states are commonly observed. These dynamics show two types of salient behaviors that are reminiscent of glassy behavior: slow relaxation along with the logarithmic time dependence of the correlation function and the emergence of plateaus in the rel...
Accelerated molecular dynamics methods: introduction and recent developments
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.
The Acceleration Scale, Modified Newtonian Dynamics, and Sterile Neutrinos
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 ...
Beam Dynamics Studies for a Laser Acceleration Experiment
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...
Cooperative strings and glassy interfaces.
Salez, Thomas; Salez, Justin; Dalnoki-Veress, Kari; Raphaël, Elie; Forrest, James A
2015-07-01
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. PMID:26100908
Glassy dynamics of convex polyhedra
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
Beam Dynamics Measurements for the SLAC Laser Acceleration Experiment
The NLC Test Accelerator (NLCTA) was built to address beam dynamics issues for the Next Linear Collider and beyond. An S-Band RF gun, diagnostics and low energy spectrometer (LES) at 6 MeV together with a large-angle extraction line at 60 MeV have now been built and commissioned for the laser acceleration experiment, E163. Following a four quad matching section after the NLCTA chicane, the extraction section is followed by another matching section, final focus and buncher. The laser-electron interaction point (IP) is followed by a broad range, high resolving power spectrometer (HES) for electron bunch analysis. Optical symmetries in the design of the 25.5 degree extraction line provide 1:1 phase space transfer without sextupoles for a large, 6D phase space volume and range of input conditions. Spot sizes down to a few microns at the IP (HES object) allow testing microscale structures with high resolving power at the HES image. Tolerances, tuning sensitivities, diagnostics and the latest commissioning results are discussed and compared to design expectations
Beam Dynamics Studies for a Laser Acceleration Experiment
The NLC Test Accelerator (NLCTA) at SLAC was built to address various beam dynamics issues for the Next Linear Collider. An S-Band RF gun is being installed together with a large-angle extraction line at 60 MeV followed by a matching section, buncher and final focus 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. Another spectrometer at 6 MeV will be used for analysis of bunch charges up to 1 nC. Emittance compensating solenoids and the low energy spectrometer (LES) will be used to tune for best operating point and match to the linac. Optical symmetries in the design of the 25.5o extraction line provide 1:1 phase space transfer without use of sextupoles for a large, 6D phase space volume and range of input conditions. Design techniques, tolerances, tuning sensitivities and orthogonal knobs are discussed
Spin dynamics of electron beams in circular accelerators
Experiments using high energy beams of spin polarized, charged particles still prove to be very helpful in disclosing a deeper understanding of the fundamental structure of matter. An important aspect is to control the beam properties, such as brilliance, intensity, energy, and degree of spin polarization. In this context, the present studies show various numerical calculations of the spin dynamics of high energy electron beams in circular accelerators. Special attention has to be paid to the emission of synchrotron radiation, that occurs when deflecting charged particles on circular orbits. In the presence of the fluctuation of the kinetic energy due to the photon emission, each electron spin moves non-deterministically. This stochastic effect commonly slows down the speed of all numeric estimations. However, the shown simulations cover - using appropriate approximations - trackings for the motion of thousands of electron spins for up to thousands of turns. Those calculations are validated and complemented by empirical investigations at the electron stretcher facility ELSA of the University of Bonn. They can largely be extended to other boundary conditions and thus, can be consulted for new accelerator layouts.
Active microrheology of Brownian suspensions via Accelerated Stokesian Dynamics simulations
Chu, Henry; Su, Yu; Gu, Kevin; Hoh, Nicholas; Zia, Roseanna
2015-11-01
The non-equilibrium rheological response of colloidal suspensions is studied via active microrheology utilizing Accelerated Stokesian Dynamics simulations. In our recent work, we derived the theory for micro-diffusivity and suspension stress in dilute suspensions of hydrodynamically interacting colloids. This work revealed that force-induced diffusion is anisotropic, with qualitative differences between diffusion along the line of the external force and that transverse to it, and connected these effects to the role of hydrodynamic, interparticle, and Brownian forces. This work also revealed that these forces play a similar qualitative role in the anisotropy of the stress and in the evolution of the non-equilibrium osmotic pressure. Here, we show that theoretical predictions hold for suspensions ranging from dilute to near maximum packing, and for a range of flow strengths from near-equilibrium to the pure-hydrodynamic limit.
Improved scaling of temperature-accelerated dynamics using localization.
Shim, Yunsic; Amar, Jacques G
2016-07-01
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. PMID:27394097
Single particle dynamics and nonlinear resonances in circular accelerators
The purpose of this paper is to introduce the reader to single particle dynamics in circular accelerators with an emphasis on nonlinear resonances. We begin with the Hamiltonian and the equations of motion in the neighborhood of the design orbit. In the linear theory this yields linear betatron oscillations about a closed orbit. It is useful then to introduce the action-angle variables of the linear problem. Next we discuss the nonlinear terms which are present in an actual accelerator, and in particular, we motivate the inclusion of sextupoles to cure chromatic effects. To study the effects of the nonlinear terms, we next discuss canonical perturbation theory which leads us to nonlinear resonances. After showing a few examples of perturbation theory, we abandon it when very close to a resonance. This leads to the study of an isolated resonance in one degree of freedom with a 'time'-dependent Hamiltonian. We see the familiar resonance structure in phase space which is simply closed islands when the nonlinear amplitude dependence of the frequency or 'tune' is included. To show the limits of the validity of the isolated resonance approximation, we discuss two criteria for the onset of chaotic motion. Finally, we study an isolated coupling resonance in two degrees of freedom with a 'time'-dependent Hamiltonian and calculate the two invariants in this case. This leads to a surface of section which is a 2-torus in 4-dimensional phase space. However, we show that it remains a 2-torus when projected into particular 3-dimensional subspaces, and thus can be viewed in perspective
Single particle dynamics and nonlinear resonances in circular accelerators
Ruth, R.D.
1985-11-01
The purpose of this paper is to introduce the reader to single particle dynamics in circular accelerators with an emphasis on nonlinear resonances. We begin with the Hamiltonian and the equations of motion in the neighborhood of the design orbit. In the linear theory this yields linear betatron oscillations about a closed orbit. It is useful then to introduce the action-angle variables of the linear problem. Next we discuss the nonlinear terms which are present in an actual accelerator, and in particular, we motivate the inclusion of sextupoles to cure chromatic effects. To study the effects of the nonlinear terms, we next discuss canonical perturbation theory which leads us to nonlinear resonances. After showing a few examples of perturbation theory, we abandon it when very close to a resonance. This leads to the study of an isolated resonance in one degree of freedom with a 'time'-dependent Hamiltonian. We see the familiar resonance structure in phase space which is simply closed islands when the nonlinear amplitude dependence of the frequency or 'tune' is included. To show the limits of the validity of the isolated resonance approximation, we discuss two criteria for the onset of chaotic motion. Finally, we study an isolated coupling resonance in two degrees of freedom with a 'time'-dependent Hamiltonian and calculate the two invariants in this case. This leads to a surface of section which is a 2-torus in 4-dimensional phase space. However, we show that it remains a 2-torus when projected into particular 3-dimensional subspaces, and thus can be viewed in perspective.
Vapor Condensed and Supercooled Glassy Nanoclusters.
Qi, Weikai; Bowles, Richard K
2016-03-22
We use molecular simulation to study the structural and dynamic properties of glassy nanoclusters formed both through the direct condensation of the vapor below the glass transition temperature, without the presence of a substrate, and via the slow supercooling of unsupported liquid nanodroplets. An analysis of local structure using Voronoi polyhedra shows that the energetic stability of the clusters is characterized by a large, increasing fraction of bicapped square antiprism motifs. We also show that nanoclusters with similar inherent structure energies are structurally similar, independent of their history, which suggests the supercooled clusters access the same low energy regions of the potential energy landscape as the vapor condensed clusters despite their different methods of formation. By measuring the intermediate scattering function at different radii from the cluster center, we find that the relaxation dynamics of the clusters are inhomogeneous, with the core becoming glassy above the glass transition temperature while the surface remains mobile at low temperatures. This helps the clusters sample the highly stable, low energy structures on the potential energy surface. Our work suggests the nanocluster systems are structurally more stable than the ultrastable glassy thin films, formed through vapor deposition onto a cold substrate, but the nanoclusters do not exhibit the superheating effects characteristic of the ultrastable glass states. PMID:26866858
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.
Dynamics of a current bridge in a coaxial plasma accelerator
Voronin, A. V.; Gusev, V. K.; Kobyakov, S. V.
2011-07-01
The pioneering investigation of the behavior of a current bridge in a coaxial accelerator with pulsed delivery of a working gas liberated from titanium hydride by an electrical discharge is reported. A new method to trace the motion of the current bridge using LEDs is suggested. The behavior of the current bridge in accelerators with axial and radial gas injection is studied. The parameters of an accelerator generating a pure plasma jet with a high kinetic energy (such as the size and polarity of electrodes, gas flow direction, and time delay between the delivery of the gas to the accelerator and its ionization) are optimized. The applicability of an electrodynamic model to this type of accelerator is discussed. Good agreement between experimental data and calculation results is obtained.
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 ∼50 pC total charge were accelerated to energies up to 450 MeV with a divergence of ∼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. 1018 cm-3 the maximum electric field strength in the plasma wave was determined to be ∼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, was found to be 4.9 mm
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
Scale Invariance at low accelerations (aka MOND) and the dynamical anomalies in the Universe
Milgrom, Mordehai
2016-01-01
Galactic systems, and the Universe at large, exhibit large dynamical anomalies: The observed matter in them falls very short of providing enough gravity to account for their dynamics. The mainstream response to this conundrum is to invoke large quantities of `dark matter' (DM) -- which purportedly supplies the needed extra gravity -- and also of `dark energy' (DE), to account for further anomalies in cosmology, such as the observed, accelerated expansion. The MOND paradigm offers a different solution: a breakdown of standard dynamics (gravity and/or inertia) in the limit of low accelerations -- below some acceleration $a_0$. In this limit, dynamics become space-time scale invariant, and is controlled by a gravitational constant $\\mathcal{A}_0\\equiv Ga_0$, which replaces Newton's $G$. With the new dynamics, the various detailed manifestations of the anomalies in galaxies disappear with no need for DM. The cosmological anomalies could, but need not have to do with small accelerations. For example, the need for ...
The invention claims equipment for stabilizing the position of the front covers of the accelerator chamber in cyclic accelerators which significantly increases accelerator reliability. For stabilizing, it uses hydraulic cushions placed between the electromagnet pole pieces and the front chamber covers. The top and the bottom cushions are hydraulically connected. The cushions are disconnected and removed from the hydraulic line using valves. (J.P.)
Yeung, Chi Ho
In this thesis, we study two interdisciplinary problems in the framework of statistical physics, which show the broad applicability of physics on problems with various origins. The first problem corresponds to an optimization problem in allocating resources on random regular networks. Frustrations arise from competition for resources. When the initial resources are uniform, different regimes with discrete fractions of satisfied nodes are observed, resembling the Devil's staircase. We apply the spin glass theory in analyses and demonstrate how functional recursions are converted to simple recursions of probabilities. Equilibrium properties such as the average energy and the fraction of free nodes are derived. When the initial resources are bimodally distributed, increases in the fraction of rich nodes induce a glassy transition, entering a glassy phase described by the existence of multiple metastable states, in which we employ the replica symmetry breaking ansatz for analysis. The second problem corresponds to the study of multi-agent systems modeling financial markets. Agents in the system trade among themselves, and self-organize to produce macroscopic trading behaviors resembling the real financial markets. These behaviors include the arbitraging activities, the setting up and the following of price trends. A phase diagram of these behaviors is obtained, as a function of the sensitivity of price and the market impact factor. We finally test the applicability of the models with real financial data including the Hang Seng Index, the Nasdaq Composite and the Dow Jones Industrial Average. A substantial fraction of agents gains faster than the inflation rate of the indices, suggesting the possibility of using multi-agent systems as a tool for real trading.
Beam and spin dynamics of hadron beams in intermediate-energy ring accelerators
In this thesis beam and spin dynamics of ring accelerators are described. After a general theoretical treatment methods for the beam optimization and polarization conservation are discussed. Then experiments on spin manipulation at the COSY facility are considered. Finally the beam simulation and accelerator lay-out for the HESR with regards to the FAIR experiment are described. (HSI)
Using Selectively Applied Accelerated Molecular Dynamics to Enhance Free Energy Calculations
Wereszczynski, Jeff; McCammon, J. Andrew
2010-01-01
Accelerated molecular dynamics (aMD) has been shown to enhance conformational space sampling relative to classical molecular dynamics; however, the exponential reweighting of aMD trajectories, which is necessary for the calculation of free energies relating to the classical system, is oftentimes problematic, especially for systems larger than small poly peptides. Here, we propose a method of accelerating only the degrees of freedom most pertinent to sampling, thereby reducing the total accele...
Podbielska, Halina; Kasprzak, Henryk T.; Voloshin, Arkady S.; Pennig, Dietmar; von Bally, Gert
1992-08-01
The unilateral axially dynamic fixator (Orthofix) was mounted on a sheep tibial shaft. Three fixation modes: static, dynamic controlled, and dynamic free were examined by means of double exposure holographic interferometry. Simultaneously, the acceleration was measured by an accelerometer and displayed on the monitor together with loading characteristics. The first exposure was made before the acting force was applied to the tibia plateau. The second one after the moment when the acceleration wave started to propagate through the specimen. We stated that in the case of dynamization less torsion occurs at the fracture site. So far, we have not been able to determine any correlation between results of holographic and accelerometric measurements.
Stochastic dynamics and Fokker-Planck equation in accelerator physics
Mais, H.; Zorzano, M.P.
1999-01-01
The aim of this contribution is to study the particle dynamics in a storage ring under the influence of noise. Some simplified stochastic beam dynamics problems are treated by solving the corresponding Fokker-Planck equations numerically.
Beam dynamics in a long-pulse linear induction accelerator
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.
Beam dynamics in a long-pulse linear induction accelerator
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.
Resonance, particle dynamics, and particle transmission in the micro-accelerator platform
We describe particle dynamics in the Micro-Accelerator Platform (MAP), a slab-symmetric dielectric laser accelerator (DLA), and model the expected performance of recently fabricated MAP structures. The quality of the structure resonances has been characterized optically, and results are compared with simulation. 3D trajectory analysis is used to model acceleration in those same structures “as built.” Results are applied to ongoing beam transmission and acceleration tests at NLCTA/E-163, in which transmission of 60 MeV injected electrons through the beam channel of the MAP was clearly observed, despite the overfilling of the structure by the beam.
Electron beam dynamics in the DARHT-II linear induction accelerator
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, Subrata [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; Trainham, C [NSTEC/STL; Williams, John [Los Alamos National Laboratory; Genoni, Thomas [VOSS; Hughes, Thomas [VOSS; Toma, Carsten [VOSS
2008-01-01
The DARHT-II linear induction accelerator (LIA) accelerates a 2-kA electron beam to more than 17 MeV. The beam pulse has a greater than 1.5-microsecond flattop region over which the electron kinetic energy is constant to within 1%. The beam dynamics are diagnosed with 21 beam-position monitors located throughout the injector, accelerator, and after the accelerator exit, where we also have beam imaging diagnostics. We discuss the tuning of the injector and accelerator, and present data for the resulting beam dynamics. We discuss the tuning procedures and other methods used to minimize beam motion, which is undesirable for its application as a bremsstrahlung source for multi-pulse radiography of exlosively driven hydrodynamic experiments. We also present beam stability measurements, which we relate to previous stability experiments at lower current and energy.
Electron beam dynamics in the DARHT-II linear induction accelerator
The DARHT-II linear induction accelerator (LIA) accelerates a 2-kA electron beam to more than 17 MeV. The beam pulse has a greater than 1.5-microsecond flattop region over which the electron kinetic energy is constant to within 1%. The beam dynamics are diagnosed with 21 beam-position monitors located throughout the injector, accelerator, and after the accelerator exit, where we also have beam imaging diagnostics. We discuss the tuning of the injector and accelerator, and present data for the resulting beam dynamics. We discuss the tuning procedures and other methods used to minimize beam motion, which is undesirable for its application as a bremsstrahlung source for multi-pulse radiography of exlosively driven hydrodynamic experiments. We also present beam stability measurements, which we relate to previous stability experiments at lower current and energy.
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.
Ubiquitous ``glassy'' relaxation in catalytic reaction networks
Awazu, Akinori; Kaneko, Kunihiko
2009-10-01
Study of reversible catalytic reaction networks is important not only as an issue for chemical thermodynamics but also for protocells. From extensive numerical simulations and theoretical analysis, slow relaxation dynamics to sustain nonequlibrium states are commonly observed. These dynamics show two types of salient behaviors that are reminiscent of glassy behavior: slow relaxation along with the logarithmic time dependence of the correlation function and the emergence of plateaus in the relaxation-time course. The former behavior is explained by the eigenvalue distribution of a Jacobian matrix around the equilibrium state that depends on the distribution of kinetic coefficients of reactions. The latter behavior is associated with kinetic constraints rather than metastable states and is due to the absence of catalysts for chemicals in excess and the negative correlation between two chemical species. Examples are given and generality is discussed with relevance to bottleneck-type dynamics in biochemical reactions as well.
Effect of neutron irradiation on properties of glassy carbon
The gas-impermeable chemically inert glassy carbon is considered as the material for manufacturing convective tubes. Its resistance to the neutron irradiation is determined. It is shown, that low crystal structure ordering in combination with the low thermal expansion coefficient conditioned its radiation shrinkage within the range of 140-750 deg C. The glassy hydrogen samples irradiation leads to: increase in the materials density; decrease in the specific electric resistance (increase in the thermal conductivity); insignificant increase in the dynamic modulus elasticity. The radiation effects decrease with the material treatment temperature increase
Dynamics and transport of laser-accelerated particle beams
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
Dynamics and transport of laser-accelerated particle beams
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
Beam dynamics at the main LEBT of RAON accelerator
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.
Self-accelerating Universe in modified gravity with dynamical torsion
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.
De Martino, Salvatore; De Siena, Silvio; Illuminati, Fabrizio
1998-01-01
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_...
Particle acceleration by turbulent magnetohydro-dynamic reconnection
Matthaeus, W. H.; Ambrosiano, J. J.; Goldstein, M. L.
1984-01-01
Test particles in a two dimensional, turbulent MHD simulation are found to undergo significant acceleration. The magnetic field configuration is a periodic sheet pinch which undergoes reconnection. The test particles are trapped in the reconnection region for times of order an Alfven transit time in the large electric fields that characterize the turbulent reconnection process at the relatively large magnetic Reynolds number used in the simulation. The maximum speed attained by these particles is consistent with an analytic estimate which depends on the reconnection electric field, the Alfven speed, and the ratio of Larmor period to the Alfven transit time.
Single Particle Dynamics in a Quasi-Integrable Nonlinear Accelerator Lattice
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...
Dynamic response of an accelerator driven system to accelerator beam interruptions for criticality
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
Beam dynamics simulations of post low energy beam transport section in RAON heavy ion accelerator
Jin, Hyunchang, E-mail: hcjin@ibs.re.kr; Jang, Ji-Ho; Jang, Hyojae; Hong, In-Seok [Institute for Basic Science, Yuseong-daero 1689-gil, Yuseong-gu, Daejeon (Korea, Republic of)
2016-02-15
RAON (Rare isotope Accelerator Of Newness) heavy ion accelerator of the rare isotope science project in Daejeon, Korea, has been designed to accelerate multiple-charge-state beams to be used for various science programs. In the RAON accelerator, the rare isotope beams which are generated by an isotope separation on-line system with a wide range of nuclei and charges will be transported through the post Low Energy Beam Transport (LEBT) section to the Radio Frequency Quadrupole (RFQ). In order to transport many kinds of rare isotope beams stably to the RFQ, the post LEBT should be devised to satisfy the requirement of the RFQ at the end of post LEBT, simultaneously with the twiss parameters small. We will present the recent lattice design of the post LEBT in the RAON accelerator and the results of the beam dynamics simulations from it. In addition, the error analysis and correction in the post LEBT will be also described.
Electron cloud dynamics in the Cornell Electron Storage Ring Test Accelerator wiggler
Celata, C. M.
2011-01-01
The interference of stray electrons (also called “electron clouds”) with accelerator beams is important in modern intense-beam accelerators, especially those with beams of positive charge. In magnetic wigglers, used, for instance, for transverse emittance damping, the intense synchrotron radiation produced by the beam can generate an electron cloud of relatively high density. In this paper the complicated dynamics of electron clouds in wigglers is examined using the example of a wiggler in th...
Acceleration-Extended Galilean Symmetries with Central Charges and their Dynamical Realizations
Lukierski, J.; Stichel, P. C.; Zakrzewski, W. J.
2007-01-01
We add to Galilean symmetries the transformations describing constant accelerations. The corresponding extended Galilean algebra allows, in any dimension $D=d+1$, the introduction of one central charge $c$ while in $D=2+1$ we can have three such charges: c, \\theta and \\theta'. We present nonrelativistic classical mechanics models, with higher order time derivatives and show that they give dynamical realizations of our algebras. The presence of central charge $c$ requires the acceleration squa...
The full set of partial structure factors for glassy germania, or GeO2, were accurately measured by using the method of isotopic substitution in neutron diffraction in order to elucidate the nature of the pair correlations for this archetypal strong glass former. The results show that the basic tetrahedral Ge(O1/2)4 building blocks share corners with a mean inter-tetrahedral Ge-O-circumflex-Ge bond angle of 132(2)0. The topological and chemical ordering in the resultant network displays two characteristic length scales at distances greater than the nearest neighbour. One of these describes the intermediate range order, and manifests itself by the appearance of a first sharp diffraction peak in the measured diffraction patterns at a scattering vector kFSDP∼1.53 A-1, while the other describes so-called extended range order, and is associated with the principal peak at kPP = 2.66(1) A-1. We find that there is an interplay between the relative importance of the ordering on these length scales for tetrahedral network forming glasses that is dominated by the extended range ordering with increasing glass fragility. The measured partial structure factors for glassy GeO2 are used to reproduce the total structure factor measured by using high energy x-ray diffraction and the experimental results are also compared to those obtained by using classical and first principles molecular dynamics simulations
DTL cavity design and beam dynamics for a TAC linear proton accelerator
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.
DTL cavity design and beam dynamics for a TAC linear proton accelerator
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. (authors)
Phase Space Dynamics of Ionization Injection in Plasma Based Accelerators
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.
Wavelet approach to accelerator problems. 1: Polynomial dynamics
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
Soft matter dynamics: Accelerated fluid squeeze-out during slip
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.
Vretenar, M
2014-01-01
The main features of radio-frequency linear accelerators are introduced, reviewing the different types of accelerating structures and presenting the main characteristics aspects of linac beam dynamics.
Acceleration-extended Galilean symmetries with central charges and their dynamical realizations
Lukierski, J. [Institute for Theoretical Physics, University of Wroclaw, pl. Maxa Borna 9, 50-205 Wroclaw (Poland)]. E-mail: lukier@ift.uni.wroc.pl; Stichel, P.C. [An der Krebskuhle 21, D-33619 Bielefeld (Germany)]. E-mail: peter@physik.uni-bielefeld.de; Zakrzewski, W.J. [Department of Mathematical Sciences, University of Durham, Durham DH1 3LE (United Kingdom)]. E-mail: W.J.Zakrzewski@durham.ac.uk
2007-06-28
We add to Galilean symmetries the transformations describing constant accelerations. The corresponding extended Galilean algebra allows, in any dimension D=d+1, the introduction of one central charge c while in D=2+1 we can have three such charges: c,{theta} and {theta}{sup '}. We present nonrelativistic classical mechanics models, with higher order time derivatives and show that they give dynamical realizations of our algebras. The presence of central charge c requires the acceleration square Lagrangian term. We show that the general Lagrangian with three central charges can be reinterpreted as describing an exotic planar particle coupled to a dynamical electric and a constant magnetic field.
Acceleration-Extended Galilean Symmetries with Central Charges and their Dynamical Realizations
Lukierski, J; Zakrzewski, W J
2007-01-01
We add to Galilean symmetries the transformations describing constant accelerations. The corresponding extended Galilean algebra allows, in any dimension $D=d+1$, the introduction of one central charge $c$ while in $D=2+1$ we can have three such charges: c, \\theta and \\theta'. We present nonrelativistic classical mechanics models, with higher order time derivatives and show that they give dynamical realizations of our algebras. The presence of central charge $c$ requires the acceleration square Lagrangian term. We show that the general Lagrangian with three central charges can be reinterpreted as describing an exotic planar particle coupled to a dynamical electric and a constant magnetic field.
Acceleration-extended Galilean symmetries with central charges and their dynamical realizations
We add to Galilean symmetries the transformations describing constant accelerations. The corresponding extended Galilean algebra allows, in any dimension D=d+1, the introduction of one central charge c while in D=2+1 we can have three such charges: c,θ and θ'. We present nonrelativistic classical mechanics models, with higher order time derivatives and show that they give dynamical realizations of our algebras. The presence of central charge c requires the acceleration square Lagrangian term. We show that the general Lagrangian with three central charges can be reinterpreted as describing an exotic planar particle coupled to a dynamical electric and a constant magnetic field
GPU accelerated Trotter-Suzuki solver for quantum spin dynamics
Dente, Axel D; Zangara, Pablo R; Pastawski, Horacio M
2013-01-01
The resolution of dynamics in out of equilibrium quantum spin systems relies at the heart of fundamental questions among Quantum Information Processing, Statistical Mechanics and Nano-Technologies. Efficient computational simulations of interacting many-spin systems are extremely valuable tools for tackling such questions. Here, we use the Trotter-Suzuki (TS) algorithm, a well-known strategy that provides the evolution of quantum systems, to address the spin dynamics. We present a GPU implementation of a particular TS version, which has been previously implemented on single cores in CPUs. We develop a massive parallel version of this algorithm and compare the efficiency between CPU and GPU implementations. This boosted method reduces the execution time in several hundred times and is capable to deal with systems of up to 27 spins (only limited by the GPU memory).
Accelerating Molecular Dynamic Simulation on Graphics Processing Units
Friedrichs, Mark S.; Eastman, Peter; Vaidyanathan, Vishal; Houston, Mike; Legrand, Scott; Beberg, Adam L.; Ensign, Daniel L.; Bruns, Christopher M.; Pande, Vijay S.
2009-01-01
We describe a complete implementation of all-atom protein molecular dynamics running entirely on a graphics processing unit (GPU), including all standard force field terms, integration, constraints, and implicit solvent. We discuss the design of our algorithms and important optimizations needed to fully take advantage of a GPU. We evaluate its performance, and show that it can be more than 700 times faster than a conventional implementation running on a single CPU core.
Mechanisms of Acceleration and Retardation of Water Dynamics by Ions
Stirnemann, G.; Wernersson, Erik; Jungwirth, Pavel; Laage, D.
2013-01-01
Roč. 135, č. 32 (2013), s. 11824-11831. ISSN 0002-7863 R&D Projects: GA ČR GBP208/12/G016 Grant ostatní: European Research Council(XE) FP7-279977 Institutional support: RVO:61388963 Keywords : ions * water * molecular dynamics * NMR * IR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 11.444, year: 2013
Embarrassingly Parallel Acceleration of Global Tractography via Dynamic Domain Partitioning
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. PMID:27468263
Ion and neutral dynamics in Hall plasma accelerator ionization instabilities
Lucca Fabris, Andrea; Young, Christopher; Cappelli, Mark
2015-09-01
Hall thrusters, the extensively studied E × B devices used for space propulsion applications, are rife with instabilities and fluctuations. Many are thought to be fundamentally linked to microscopic processes like electron transport across magnetic field lines and propellant ionization that in turn affect macroscopic properties like device performance and lifetime. One of the strongest oscillatory regimes is the ``breathing mode,'' characterized by a propagating ionization front, time-varying ion acceleration profiles, and quasi-periodic 10-50 kHz current oscillations. Determining the temporal and spatial evolution of plasma properties is critical to achieving a fundamental physical understanding of these processes. We present non-intrusive laser-induced fluorescence measurements of the local ion and neutral velocity distribution functions synchronized with the breathing mode oscillations. Measurements reveal strong ion velocity fluctuations, multiple ion populations arising in narrow time windows throughout the near-field plume, and the periodic population and depopulation of neutral excited states. Analyzing these detailed experimental results in the context of the existing literature clarifies the fundamental physical processes underlying the breathing mode. This work is sponsored by the U.S. Air Force Office of Scientific Research with Dr. M. Birkan as program manager. C.Y. acknowledges support from the DOE NSSA Stewardship Science Graduate Fellowship under contract DE-FC52-08NA28752.
Glassy carbon based supercapacitor stacks
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..
Scale Invariance at low accelerations (aka MOND) and the dynamical anomalies in the Universe
Milgrom, Mordehai
2016-01-01
Galactic systems, and the Universe at large, exhibit large dynamical anomalies: The observed matter in them falls very short of providing enough gravity to account for their dynamics. The mainstream response to this conundrum is to invoke large quantities of `dark matter' -- which purportedly supplies the needed extra gravity -- and also of `dark energy', to account for further anomalies in cosmology, such as the observed, accelerated expansion. The MOND paradigm offers a different solution: ...
Simulations of Soft Glassy Matter with Ripening
Hwang, Hyun Joo; Riggleman, Robert; Crocker, John
2015-03-01
Soft glassy matter (SGM) such as foams, emulsions, and colloids, exhibit interesting rheological properties that have long defied explanation. In particular, the shear modulus of these materials displays weak power law frequency dependence. To understand the origin of this property in more depth, we have built a three-dimensional, modified Bubble Dynamics model. The bubbles interact with a purely repulsive harmonic potential and ripen according to diffusion-based governing equations. An energy minimizer is implemented to quasi-statically relax topological rearrangements in the system as ripening proceeds. Preliminary results show that the model displays expected intermittent particle rearrangements and a weakly frequency-dependent shear modulus behaving like a power law fluid. We find that the anomalous relaxation properties and avalanche-like nature of the rearrangements can be related to different measures of the systems potential energy landscape.
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.
MD or DM? Modified dynamics at low accelerations vs dark matter
Milgrom, Mordehai
2011-01-01
The MOND paradigm posits a departure from standard Newtonian dynamics, and from General Relativity, in the limit of small accelerations. The resulting modified dynamics aim to account for the mass discrepancies in the universe without non-baryonic dark matter. I briefly review this paradigm with its basic tenets, and its underlying theories--nonrelativistic and relativistic--including a novel, bimetric MOND gravity theory. I also comment on MOND's possible connection to, and origin in, the cosmological state of the universe at large. Some of its main predictions, achievements, and remaining desiderata are listed. I then succinctly pit MOND against the competing paradigm of standard dynamics with cold, dark matter. (Abridged)
Start-to-end simulations for beam dynamics in the RISP heavy-ion accelerator
Kim, Eun-San, E-mail: eskim1@knu.ac.kr [Department of Physics, Kyungpook National University, Deagu (Korea, Republic of); Bahng, JungBae [Department of Physics, Kyungpook National University, Deagu (Korea, Republic of); Hwang, Ji-Gwang [KIRAMS, Seoul (Korea, Republic of); Choi, Bong-Hyuk; Kim, Hye-Jin; Jeon, Dong-O [Institute for Basic Science, Daejeon (Korea, Republic of)
2015-09-11
RAON has been designed as a rare isotope accelerator facility for the Rare Isotope Science Project (RISP). The main accelerator for the in-flight system accelerates uranium and proton beams to 200 MeV/u and 660 MeV, respectively, with a beam power of 400 kW. The front-end system consists of two 28 GHz electron cyclotron resonance ion sources (10 keV/u), a low-energy beam transport (LEBT) line with two 90° bends, a multi-harmonic buncher with three different rf frequencies, a radio-frequency quadrupole (RFQ), and a medium-energy beam transport line (MEBT) with three rebunchers and eight quadrupoles. A driver linac system consisting of Linac-1 and Linac-2 has been designed to optimize the beam and accelerator parameters so as to meet the required design goals. A charge stripper section is located between Linac-1 and Linac-2. To optimize these designs, we performed start-to-end simulations with the beams from the LEBT to Linac-2 using 1 million macroparticles. We present the resulting beam dynamics to evaluate the performance of the accelerator. Our simulation results predict that the transmission rate of the uranium beam is 85.8% from the LEBT to Linac-2. The designed facility is expected to achieve the required beam loss condition of less than 1 W/m. The RAON driver linac lattice design was developed and an overview of the beam dynamics is presented.
Dynamics of Particles in Non Scaling Fixed Field Alternating Gradient Accelerators
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.
Dynamics of Particles in Non Scaling Fixed Field Alternating Gradient Accelerators
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.
We investigate the consequences of Birkhoff's theorem in general relativity (GR) and in modified Newtonian dynamics (MOND). We study, in particular, the system of a finite-mass test particle inside a spherical shell. In both GR and MOND, we find nonvanishing acceleration for that test particle. The direction of the acceleration is such that it pushes the test particle toward the center of the shell. In GR, the acceleration is found analytically in the case of a small test mass with a small displacement from the center of the shell. In MOND, the acceleration is found analytically in the limit of large test mass and small displacement, and a comparison to numerical values is made. Numerical simulations are done for more general cases with parameters that mimic the system of a galaxy in a cluster. In GR, the acceleration is highly suppressed and physically insignificant. In MOND, on the contrary, the acceleration of the point particle can be a significant fraction of the field just outside of the spherical shell.
rf-induced beam dynamics in rf guns and accelerating cavities
Floettmann, Klaus
2015-01-01
In this paper, a detailed discussion of the rf-related beam dynamics in rf guns and accelerating cavities is presented. Other rf-gun-related aspects such as space charge and cathode physics are not treated. An effective start phase is introduced in order to yield a better description for the synchronous phase, the energy gain, and the bunch compression factor in gun cavities. Energy spread and longitudinal emittance are treated in a form applicable to guns as well as to accelerating cavities....
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...
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. PMID:23155997
Beam dynamics of a double-gap acceleration cell for ion implantation with multiple atomic species
As a result of our work on ion implantation, we derived equations for the beam dynamics of a two-gap-resonator cavity for accelerating and bunching various ion species of varying energies with the cavity designed for one particular ion species of a given energy (the design-reference particle). A two gap structure is useful at low resonant frequencies where lumped circuit elements (inductors) can be used and the structure kept small. A single gap structure has the advantage that each gap can be independently phased to produce the desired beam dynamics behavior for various ion species and ion energies. However at low frequencies, single gap resonant structures can be large. We find that the two-gap structure, where the phase difference between gaps, for the design reference particle, is fixed at π radians can give acceptable performance provided that the individual two gap cells in the entire accelerator are optimized for the ion species having the largest mass to charge ratio and having the maximum required output energy. Our equations show how to adjust the cavity phases and electric fields to obtain equivalent first-order accelerator performance for various ion species and energies. These equations allow for the effective evaluation of various accelerator concepts and can facilitate the tuning of a linac when changing energies and ion species. Extensive simulations have confirmed the efficacy of our equations. copyright 1997 American Institute of Physics
NONLINEAR DYNAMICS OF AXIALLY ACCELERATING VISCOELASTIC BEAMS BASED ON DIFFERENTIAL QUADRATURE
Hu Ding; Liqun Chen
2009-01-01
This paper investigates nonlinear dynamical behaviors in transverse motion of an axially accelerating viscoelastic beam via the differential quadrature method. The governing equa-tion, a nonlinear partial-differential equation, is derived from the viscoelastic constitution relation using the material derivative. The differential quadrature scheme is developed to solve numeri-cally the governing equation. Based on the numerical solutions, the nonlinear dynamical behaviors presented in the case that the mean axial speed and the amplitude of the speed fluctuation are respectively varied while other parameters are fixed. The Lyapunov exponent and the initial value sensitivity of the different points of the beam, calculated from the time series based on the numer-ical solutions, are used to indicate periodic motions or chaotic motions occurring in the transverse motion of the axially accelerating viscoelastic beam.
Object-Oriented Parallel Particle-in-Cell Code for Beam Dynamics Simulation in Linear Accelerators
Qiang, J.; Ryne, R.D.; Habib, S.; Decky, V.
1999-11-13
In this paper, we present an object-oriented three-dimensional parallel particle-in-cell code for beam dynamics simulation in linear accelerators. A two-dimensional parallel domain decomposition approach is employed within a message passing programming paradigm along with a dynamic load balancing. Implementing object-oriented software design provides the code with better maintainability, reusability, and extensibility compared with conventional structure based code. This also helps to encapsulate the details of communications syntax. Performance tests on SGI/Cray T3E-900 and SGI Origin 2000 machines show good scalability of the object-oriented code. Some important features of this code also include employing symplectic integration with linear maps of external focusing elements and using z as the independent variable, typical in accelerators. A successful application was done to simulate beam transport through three superconducting sections in the APT linac design.
Ending Aging in Super Glassy Polymer Membranes
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.
Ending aging in super glassy polymer membranes.
Lau, Cher Hon; Nguyen, Phuc Tien; Hill, Matthew R; Thornton, Aaron W; Konstas, Kristina; Doherty, Cara M; Mulder, Roger J; Bourgeois, Laure; Liu, Amelia C Y; Sprouster, David J; Sullivan, James P; Bastow, Timothy J; Hill, Anita J; Gin, Douglas L; Noble, Richard D
2014-05-19
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/N2 selectivity. This approach could allow super glassy polymers to be revisited for commercial application in gas separations. PMID:24740816
Sasagawa, Shun; Shinya, Masahiro; Nakazawa, Kimitaka
2014-01-01
Recent studies have demonstrated that human quiet standing is a multijoint movement, whereby the central nervous system (CNS) is required to deal with dynamic interactions among the joints to achieve optimal motor performance. The purpose of this study was to investigate how the CNS deals with such interjoint interaction during quiet standing by examining the relationship between the kinetics (torque) and kinematics (angular acceleration) within the multi-degree of freedom system. We modeled quiet standing as a double-link inverted pendulum involving both ankle and hip joints and conducted an "induced acceleration analysis." We found that the net ankle and hip torques induced angular accelerations of comparable magnitudes to the ankle (3.8 ± 1.4°/s(2) and 3.3 ± 1.2°/s(2)) and hip (9.1 ± 3.2°/s(2) and 10.5 ± 3.5°/s(2)) joints, respectively. Angular accelerations induced by the net ankle and hip torques were modulated in a temporally antiphase pattern to one another in each of the two joints. These quantitative and temporal relationships allowed the angular accelerations induced by the two net torques to countercompensate one another, thereby substantially (∼70%) reducing the resultant angular accelerations of the individual joints. These results suggest that, by taking advantage of the interjoint interaction, the CNS prevents the net torques from producing large amplitudes of the resultant angular accelerations when combined with the kinematic effects of all other torques in the chain. PMID:24089399
Predictive Simulation and Design of Materials by Quasicontinuum and Accelerated Dynamics Methods
Luskin, Mitchell [University of Minnesota; James, Richard; Tadmor, Ellad
2014-03-30
This project developed the hyper-QC multiscale method to make possible the computation of previously inaccessible space and time scales for materials with thermally activated defects. The hyper-QC method combines the spatial coarse-graining feature of a finite temperature extension of the quasicontinuum (QC) method (aka “hot-QC”) with the accelerated dynamics feature of hyperdynamics. The hyper-QC method was developed, optimized, and tested from a rigorous mathematical foundation.
Wittenberg, Nathan J.; Zheng, Leiliang; Winograd, Nicholas; Ewing, Andrew G.
2008-01-01
We have used amperometric measurements in a model system consisting of two liposomes connected with a membrane nanotube to monitor catechol release during artificial exocytosis and thereby to elucidate the effect of small-chain alcohols on this dynamic membrane process. To determine the rate of membrane shape change, catechol release during membrane distention was monitored amperometrically, and the presence of alcohols in the buffer was shown to accelerate the membrane distention process in ...
Cameron Abrams; Giovanni Bussi
2013-01-01
We review a selection of methods for performing enhanced sampling in molecular dynamics simulations. We consider methods based on collective variable biasing and on tempering, and offer both historical and contemporary perspectives. In collective-variable biasing, we first discuss methods stemming from thermodynamic integration that use mean force biasing, including the adaptive biasing force algorithm and temperature acceleration. We then turn to methods that use bias potentials, including u...
Lindert, Steffen; Bucher, Denis; Eastman, Peter; Pande, Vijay; McCammon, J. Andrew
2013-01-01
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 eve...
Lindert, S; Bucher, D; Eastman, P; Pande, V.; McCammon, JA
2013-01-01
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 eve...
Dynamics of double layers, ion acceleration, and heat flux suppression during solar flares
Li, T. C. [Current address: Department of Physics and Astronomy, University of Iowa, Iowa City, IA 52242, USA. (United States); Drake, J. F.; Swisdak, M., E-mail: takchu-li@uiowa.edu [Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, MD 20742 (United States)
2014-09-20
Observations of flare-heated electrons in the corona typically suggest confinement of electrons. The confinement mechanism, however, remains unclear. The transport of coronal hot electrons into ambient plasma was recently investigated by particle-in-cell (PIC) simulations. Electron transport was significantly suppressed by the formation of a highly localized, nonlinear electrostatic potential in the form of a double layer (DL). In this work large-scale PIC simulations are performed to explore the dynamics of DLs in larger systems where, instead of a single DL, multiple DLs are generated. The primary DL accelerates return current electrons, resulting in high velocity electron beams that interact with ambient ions. This forms a Buneman unstable system that spawns more DLs. Trapping of heated return current electrons between multiple DLs strongly suppresses electron transport. DLs also accelerate ambient ions and produce strong ion flows over an extended region. This clarifies the mechanism by which hot electrons in the corona couple to and accelerate ions to form the solar wind. These new dynamics in larger systems reveal a more likely picture of DL development and their impact on the ambient plasma in the solar corona. They are applicable to the preparation for in situ coronal space missions like the Solar Probe Plus.
Dynamics of double layers, ion acceleration, and heat flux suppression during solar flares
Observations of flare-heated electrons in the corona typically suggest confinement of electrons. The confinement mechanism, however, remains unclear. The transport of coronal hot electrons into ambient plasma was recently investigated by particle-in-cell (PIC) simulations. Electron transport was significantly suppressed by the formation of a highly localized, nonlinear electrostatic potential in the form of a double layer (DL). In this work large-scale PIC simulations are performed to explore the dynamics of DLs in larger systems where, instead of a single DL, multiple DLs are generated. The primary DL accelerates return current electrons, resulting in high velocity electron beams that interact with ambient ions. This forms a Buneman unstable system that spawns more DLs. Trapping of heated return current electrons between multiple DLs strongly suppresses electron transport. DLs also accelerate ambient ions and produce strong ion flows over an extended region. This clarifies the mechanism by which hot electrons in the corona couple to and accelerate ions to form the solar wind. These new dynamics in larger systems reveal a more likely picture of DL development and their impact on the ambient plasma in the solar corona. They are applicable to the preparation for in situ coronal space missions like the Solar Probe Plus.
The research works presented in this memoir are oriented not only to the R and D programs towards future linear colliders, but also to the pedagogic purposes. The first part of this memoir (from Chapter 2 to Chapter 9) establishes an analytical framework of the disk-loaded slow wave accelerating structures with can be served as the advanced courses for the students who have got some basic trainings in the linear accelerator theories. The analytical formulae derived in this part describe clearly the properties of the disk-loaded accelerating structures, such as group velocity, shunt impedance, coupling coefficients κ and β, loss factors, and wake fields. The second part (from Chapter 11 to Chapter 13) gives the beam dynamics simulations and the final proposal of an S-Band Superconducting Linear Collider (SSLC) which is aimed to avoid the dark current problem in TESLA project. This memoir has not included all the works conducted since April 1992, such as beam dynamics simulations for CLIC Test Facility (CFT-2) and the design of High Charge Structures (HCS) (11π/12 mode) for CFT-2, in order to make this memoir more harmonious, coherent and continuous. (author)
Electron-beam dynamics for an advanced flash-radiography accelerator
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.
Dynamics of double layers, ion acceleration and heat flux suppression during solar flares
Li, T C; Swisdak, M
2014-01-01
Observations of flare-heated electrons in the corona typically suggest confinement of electrons. The confinement mechanism, however, remains unclear. The transport of coronal hot electrons into ambient plasma was recently investigated by particle-in-cell (PIC) simulations. Electron transport was significantly suppressed by the formation of a highly localized, nonlinear electrostatic electric potential in the form of a double layer (DL). In this work large-scale PIC simulations are performed to explore the dynamics of DLs in larger systems where, instead of a single DL, multiple DLs are generated. The primary DL accelerates return current electrons, resulting in high velocity electron beams that interact with ambient ions. This forms a Buneman unstable system that spawns more DLs. Trapping of heated return current electrons between multiple DLs strongly suppresses electron transport. DLs also accelerate ambient ions and produce strong ion flows over an extended region. This clarifies the mechanism by which hot...
Molecular mechanisms of deformation and failure in glassy materials
Rottler, Joerg
2004-03-01
Understanding the molecular origins of macroscopic mechanical properties is a fundamental scientific challenge. Fracture of both amorphous and crystalline materials involves many length scales reaching from the continuum to atomic level processes near a crack tip. Using molecular simulations of simple models for amorphous glassy materials, we first study elastoplastic deformation and discuss the nature of the shear yield stress and its dependence on loading conditions, strain rate and temperature. We then focus on the deformation of glassy polymeric systems into crazes at large strains. In the craze, polymers ( 0.5 nm diameter) are bundled into an intricate network of 10 nm diameter fibrils that extends 10 micrometers on either side of a mm crack tip. Analysis of local geometry and stresses provide insight into the real-space nature of the entanglements that control craze formation as well as melt dynamics. Crazes are also shown to share many features with jammed systems such as granular media and foams, but are unique in jamming under a tensile load. This allows explanations for the exponential force distribution in jammed systems to be tested. The force distribution strongly influences the ultimate breakdown of the craze fibrils either through disentanglement or chain scission. We conclude by quantifying the contribution of crazing to the unusually large fracture energy of glassy polymers.
Studies on the particle dynamics in high-frequency quadrupole accelerators
In the present thesis the particle dynamics in rf quadrupole accelerators (RFQ) was studied. First the analytic theory of the particle motion is presented which results directly from the equations of motion. From this follow especially equations for the maximally transportable current strength in a RFQ accelerator. Because this theory however is at higher phase shift no longer correct and can in this case only serve as approximational method and because also the anharmonic longitudinal motion was linearized it was necessary to study the particle dynamics by means of numerical solution of the equations of motion, by the PARMTEQ program the equations of motion were directly integrated whereby the space-charge effect can be included. The comparison of the simulation calcualtion with the analytic theory and the test of both in the experiment was at first performed for the proton model of a heavy ion RFQ. An essential object of the study was hereby the influence of the higher harmonics of the field distribution on the particle dynamics which were at the proton model especially high because of a low transverse phase shift. (orig./HSI)
Direct imaging of the dynamics of a laser-plasma accelerator operating in the bubble-regime
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 ...
Otazo, Ricardo; Sodickson, Daniel K.; Candès, Emmanuel J.
2013-09-01
L+S matrix decomposition finds the low-rank (L) and sparse (S) components of a matrix M by solving the following convex optimization problem: min‖L‖*L+S matrix decomposition finds the low-rank (L) and sparse (S) components of a matrix M by solving the following convex optimization problem: ‖L ‖* + λ‖S‖1, subject to M=L+S, where ‖L‖* is the nuclear-norm or sum of singular values of L and ‖S‖1 is the 11-norm| or sum of absolute values of S. This work presents the application of the L+S decomposition to reconstruct incoherently undersampled dynamic MRI data as a superposition of a slowly or coherently changing background and sparse innovations. Feasibility of the method was tested in several accelerated dynamic MRI experiments including cardiac perfusion, time-resolved peripheral angiography and liver perfusion using Cartesian and radial sampling. The high acceleration and background separation enabled by L+S reconstruction promises to enhance spatial and temporal resolution and to enable background suppression without the need of subtraction or modeling.
Beam dynamics design of the main accelerating section with KONUS in the CSR-LINAC
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.
The generalized geometrical optics model for the detonation shock dynamics (DSD) has been incorporated into the two dimensional hydro-code WSU to form a combination code ADW for numerical simulation of explosive acceleration of metals. An analytical treatment of the coupling conditions at the nodes just behind the detonation front is proposed. The experiments on two kinds of explosive-flyer assemblies with different length/diameter ratio were carried out to verify the ADW calculations, where the tested explosive was HMX or TATB based. It is found that the combination of DSD and hydro-code can improve the calculation precision, and has advantages in larger meshes and less CPU time
Molecular mobility in glassy dispersions
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.
Accelerated molecular dynamics and equation-free methods for simulating diffusion in solids.
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.
Fast and dynamic generation of linear octrees for geological bodies under hardware acceleration
无
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.
Accelerating the convergence of path integral dynamics with a generalized Langevin equation
Ceriotti, Michele; Parrinello, Michele; 10.1063/1.3556661
2012-01-01
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 quasi-harmonic 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.
Sorella, Sandro
2016-01-01
We propose an ab-initio molecular dynamics method, capable to reduce dramatically the autocorrelation time required for the simulation of classical and quantum particles at finite temperature. The method is based on an efficient implementation of a first order Langevin dynamics modified by means of a suitable, position dependent acceleration matrix $S$. Here we apply this technique, within a Quantum Monte Carlo (QMC) based wavefuntion approach and within the Born-Oppheneimer approximation, for determining the phase diagram of high-pressure Hydrogen with simulations much longer than the autocorrelation time. With the proposed method, we are able to equilibrate in few hundreds steps even close to the liquid-liquid phase transition (LLT). Within our approach we find that the LLT transition is consistent with recent density functionals predicting a much larger transition pressures when the long range dispersive forces are taken into account.
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. PMID:24634618
Role of radiation reaction forces in the dynamics of centrifugally accelerated particles
In this paper we study the influence of radiation reaction (RR) forces on the dynamics of centrifugally accelerated particles. It is assumed that the particles move along magnetic field lines anchored in the rotating central object. The common 'bead-on-the-wire' approximation is used. The solutions are found and analyzed for cases when the form of the prescribed trajectory (rigidly rotating field line) is approximated by: (a) straight line, and (b) Archimedes spiral. Dynamics of neutral and charged particles are compared with the emphasis on the role of RR forces in the latter case. It is shown that for charged particles there exist locations of stable equilibrium. It is demonstrated that for particular initial conditions RR forces cause centripetal motion of the particles: their 'falling' on the central rotating object. It is found that in the case of Archimedes spiral both neutral and charged particles can reach infinity where their motion has asymptotically force-free character. The possible importance of these processes for the acceleration of relativistic, charged particles by rotating magnetospheres in the context of the generation of nonthermal, high-energy emission of AGN and pulsars is discussed
Investigation of glassy state molecular motions in thermoset polymers
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
Accelerated large volume irradiation with dynamic Jaw/Dynamic Couch Helical Tomotherapy
Helical Tomotherapy (HT) has unique capacities for the radiotherapy of large and complicated target volumes. Next generation Dynamic Jaw/Dynamic Couch HT delivery promises faster treatments and reduced exposure of organs at risk due to a reduced dose penumbra. Three challenging clinical situations were chosen for comparison between Regular HT delivery with a field width of 2.5 cm (Reg 2.5) and 5.0 cm (Reg 5.0) and DJDC delivery with a maximum field width of 5.0 cm (DJDC 5.0): Hemithoracic Irradiation, Whole Abdominal Irradiation (WAI) and Total Marrow Irradiation (TMI). For each setting, five CT data sets were chosen, and target coverage, conformity, integral dose, dose exposure of organs at risk (OAR) and treatment time were calculated. Both Reg 5.0 and DJDC 5.0 achieved a substantial reduction in treatment time while maintaining similar dose coverage. Treatment time could be reduced from 10:57 min to 3:42 min / 5:10 min (Reg 5.0 / DJDC 5.0) for Hemithoracic Irradiation, from 18:03 min to 8:02 min / 8:03 min for WAI and to 18:25 min / 18:03 min for TMI. In Hemithoracic Irradiation, OAR exposure was identical in all modalities. For WAI, Reg 2.5 resulted in lower exposure of liver and bone. DJDC plans showed a small but significant increase of ∼ 1 Gy to the kidneys, the parotid glans and the thyroid gland. While Reg 5.0 and DJDC were identical in terms of OAR exposure, integral dose was substantially lower with DJDC, caused by a smaller dose penumbra. Although not clinically available yet, next generation DJDC HT technique is efficient in improving the treatment time while maintaining comparable plan quality
Accelerated large volume irradiation with dynamic Jaw/Dynamic Couch Helical Tomotherapy
Krause Sonja
2012-11-01
Full Text Available Abstract Background Helical Tomotherapy (HT has unique capacities for the radiotherapy of large and complicated target volumes. Next generation Dynamic Jaw/Dynamic Couch HT delivery promises faster treatments and reduced exposure of organs at risk due to a reduced dose penumbra. Methods Three challenging clinical situations were chosen for comparison between Regular HT delivery with a field width of 2.5 cm (Reg 2.5 and 5.0 cm (Reg 5.0 and DJDC delivery with a maximum field width of 5.0 cm (DJDC 5.0: Hemithoracic Irradiation, Whole Abdominal Irradiation (WAI and Total Marrow Irradiation (TMI. For each setting, five CT data sets were chosen, and target coverage, conformity, integral dose, dose exposure of organs at risk (OAR and treatment time were calculated. Results Both Reg 5.0 and DJDC 5.0 achieved a substantial reduction in treatment time while maintaining similar dose coverage. Treatment time could be reduced from 10:57 min to 3:42 min / 5:10 min (Reg 5.0 / DJDC 5.0 for Hemithoracic Irradiation, from 18:03 min to 8:02 min / 8:03 min for WAI and to 18:25 min / 18:03 min for TMI. In Hemithoracic Irradiation, OAR exposure was identical in all modalities. For WAI, Reg 2.5 resulted in lower exposure of liver and bone. DJDC plans showed a small but significant increase of ∼ 1 Gy to the kidneys, the parotid glans and the thyroid gland. While Reg 5.0 and DJDC were identical in terms of OAR exposure, integral dose was substantially lower with DJDC, caused by a smaller dose penumbra. Conclusions Although not clinically available yet, next generation DJDC HT technique is efficient in improving the treatment time while maintaining comparable plan quality.
Glassy slags for minimum additive waste stabilization
Glassy slag waste forms are being developed to complement glass waste forms in implementing Minimum Additive Waste Stabilization (MAWS) for supporting DOE's environmental restoration efforts. The glassy slag waste form is composed of various crystalline and metal oxide phases embedded in a silicate glass phase. The MAWS approach was adopted by blending multiple waste streams to achieve up to 100% waste loadings. The crystalline phases, such as spinels, are very durable and contain hazardous and radioactive elements in their lattice structures. These crystalline phases may account for up to 80% of the total volume of slags having over 80% metal loading. The structural bond strength model was used to quantify the correlation between glassy slag composition and chemical durability so that optimized slag compositions were obtained with limited crucible melting and testing. Slag compositions developed through crucible melts were also successfully generated in a pilot-scale Retech plasma centrifugal furnace at Ukiah, California. Utilization of glassy slag waste forms allows the MAWS approach to be applied to a much wider range of waste streams than glass waste forms. The initial work at ANL has indicated that glassy slags are good final waste forms because of (1) their high chemical durability; (2) their ability to incorporate large amounts of metal oxides; (3) their ability to incorporate waste streams having low contents of flux components; (4) their less stringent requirements on processing parameters, compared to glass waste forms; and (5) their low requirements for purchased additives, which means greater waste volume reduction and treatment cost savings
Electron beam dynamics in the long-pulse, high-current DARHT-II linear induction accelerator
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.
Electron beam dynamics in the long-pulse, high-current DARHT-II linear induction accelerator
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.
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
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.
Intergranular glassy films: An overview
Subramaniam, Anandh [Indian Institute of Technology, New Delhi 110016 (India)]. E-mail: anandh333@rediffmail.com; Koch, Christoph T. [Max-Planck-Institut fuer Metallforschung, Heisenbergstr. 3, 70569 Stuttgart (Germany); Cannon, Rowland M. [Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States); Ruehle, Manfred [Max-Planck-Institut fuer Metallforschung, Heisenbergstr. 3, 70569 Stuttgart (Germany)
2006-04-25
In certain ceramics like Si{sub 3}N{sub 4}, SiC, SrTiO{sub 3}, Al{sub 2}O{sub 3}, etc., the grain boundary (GB) region can have an amorphous film of about 1-2 nm thickness. These intergranular glassy films (IGFs) are characterized by a nearly constant thickness which is basically independent of the orientation of the bounding grains, but is dependent on the composition of the ceramic. The IGF is resistant to crystallization and is thought to represent an equilibrium configuration. The presence of the IGF, along with its structure, plays an important role in determining the properties of the ceramic as a whole. Important amongst these properties, keeping in mind the system based specificities, are fracture, creep, oxidation and electrical behaviour. Depending on the system, various synthetic routes like liquid phase sintering, solid-state activated sintering, crystallization of glass surrounding the crystal, etc., have led to the formation of IGFs. Equilibrium thickness amorphous films on surfaces have also been synthesized which are considered to be the surface analogue of IGFs. Important advances in the microscopy techniques have provided invaluable insights into the structure of IGFs, along with its interface with the bounding crystals. These techniques include: high-resolution microscopy, Fresnel contrast imaging, diffuse dark field imaging, diffraction analysis, electron holography, high-angle annular dark field imaging, energy-dispersive X-ray analysis and electron energy loss spectroscopy. It is now being progressively realized that the composition and structure within the IGF is graded, i.e., it has a diffuse interface with the bounding crystals and that the amorphous material in the IGF is different from the bulk glass forming in that system. The order induced by the bounding crystals on the IGF is seen as a contributing factor to the gradation. In spite of the achievements, a lot of open questions remain regarding the formation of IGFs, its behaviour with
Intergranular glassy films: An overview
In certain ceramics like Si3N4, SiC, SrTiO3, Al2O3, etc., the grain boundary (GB) region can have an amorphous film of about 1-2 nm thickness. These intergranular glassy films (IGFs) are characterized by a nearly constant thickness which is basically independent of the orientation of the bounding grains, but is dependent on the composition of the ceramic. The IGF is resistant to crystallization and is thought to represent an equilibrium configuration. The presence of the IGF, along with its structure, plays an important role in determining the properties of the ceramic as a whole. Important amongst these properties, keeping in mind the system based specificities, are fracture, creep, oxidation and electrical behaviour. Depending on the system, various synthetic routes like liquid phase sintering, solid-state activated sintering, crystallization of glass surrounding the crystal, etc., have led to the formation of IGFs. Equilibrium thickness amorphous films on surfaces have also been synthesized which are considered to be the surface analogue of IGFs. Important advances in the microscopy techniques have provided invaluable insights into the structure of IGFs, along with its interface with the bounding crystals. These techniques include: high-resolution microscopy, Fresnel contrast imaging, diffuse dark field imaging, diffraction analysis, electron holography, high-angle annular dark field imaging, energy-dispersive X-ray analysis and electron energy loss spectroscopy. It is now being progressively realized that the composition and structure within the IGF is graded, i.e., it has a diffuse interface with the bounding crystals and that the amorphous material in the IGF is different from the bulk glass forming in that system. The order induced by the bounding crystals on the IGF is seen as a contributing factor to the gradation. In spite of the achievements, a lot of open questions remain regarding the formation of IGFs, its behaviour with temperature, its dependence on
Valter, A. A.; Dobraynskii, Yu. P.
2002-03-01
The cooling down dynamics was calculated for the rock mass of essentially glassy tagamites from the Boltysh Astrobleme on the Ukrainian Shield and for the body of diamond-bearing tagamites of the Popigai Astrobleme in the north of West Siberia.
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.
The increasing use of biodegradable devices in tissue engineering and regenerative medicine means it is essential to study and understand their degradation behaviour. Accelerated degradation systems aim to achieve similar degradation profiles within a shorter period of time, compared with standard conditions. However, these conditions only partially mimic the actual situation, and subsequent analyses and derived mechanisms must be treated with caution and should always be supported by actual long-term degradation data obtained under physiological conditions. Our studies revealed that polycaprolactone (PCL) and PCL-composite scaffolds degrade very differently under these different degradation conditions, whilst still undergoing hydrolysis. Molecular weight and mass loss results differ due to the different degradation pathways followed (surface degradation pathway for accelerated conditions and bulk degradation pathway for simulated physiological conditions). Crystallinity studies revealed similar patterns of recrystallization dynamics, and mechanical data indicated that the scaffolds retained their functional stability, in both instances, over the course of degradation. Ultimately, polymer degradation was shown to be chiefly governed by molecular weight, crystallinity susceptibility to hydrolysis and device architecture considerations whilst maintaining its thermodynamic equilibrium
A comprehensive tool to analyse dynamic log files from an Elekta-Synergy accelerator
This study presents the development of a software tool 'Treat Check' to analyse the dynamic log files from an Elekta – Synergy accelerator. The software generates formatted output in the form of a plot presenting errors in various treatment delivery parameters such as gantry angle, Multi Leaf Collimator (MLC) leaf position, jaw position and Monitor Units (MU) for each of the control-points (CP) of the treatment beam. The plots are automatically saved in Portable Document Format (pdf). The software also has the functionality to introduce these treatment delivery errors into the original plan in the Pinnacle (Philips) treatment planning system (TPS) in order to assess the clinical impact of treatment delivery errors on delivered dose.
Studies of the chromatic properties and dynamic aperture of the BNL colliding-beam accelerator
The PATRICIA particle tracking program has been used to study chromatic effects in the Brookhaven CBA (Colliding Beam Accelerator). The short term behavior of particles in the CBA has been followed for particle histories of 300 turns. Contributions from magnet multipoles characteristic of superconducting magnets and closed orbit errors have been included in determining the dynamic aperture of the CBA for on and off momentum particles. The width of the third integer stopband produced by the temperature dependence of magnetization induced sextupoles in the CBA cable dipoles is evaluated for helium distribution systems having periodicity of one and six. The stopband width at a tune of 68/3 is naturally zero for the system having a periodicity of six and is approx. 10-4 for the system having a periodicity of one. Results from theory are compared with results obtained with PATRICIA; the results agree within a factor of slightly more than two
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 ...
Studies of the chromatic properties and dynamic aperture of the BNL colliding beam accelerator
The PATRICIA particle tracking program has been used to study chromatic effects in the Brookhaven CBA (Colliding Beam Accelerator). The short term behavior of particles in the CBA has been followed for particle histories of 300 turns. Contributions from magnet multipoles characteristic of superconducting magnets and closed orbit errors have been included in determining the dynamic aperture of the CBA for on and off momentum particles. The width of the third integer stopband produced by the temperature dependence of magnetization induced sextupoles in the CBA cable dipoles is evaluated for helium distribution systems having periodicity of one and six. The stopband width at a tune of 68/3 is naturally zero for the system having a periodicity of six and is ∫10-4 for the system having a periodicity of one. Results from theory are compared with results obtained with PATRICIA; the results agree within a factor of slightly more than two
Evaluation of Dynamic Mechanical Loading as an Accelerated Test Method for Ribbon Fatigue: Preprint
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.
Hung, R. J.; Pan, H. L.
1995-01-01
The dynamical behavior of spacecraft propellant affected by the asymmetric combined gravity gradient and jitter accelerations, in particular the effect of surface tension on partially-filled rotating fluids applicable to a full-scale Gravity Probe-B Spacecraft dewar tank has been investigated. Three different cases of orbital accelerations: (1) gravity gradient-dominated, (2) equally weighted between gravity gradient and jitter, and (3) gravity jitter-dominated accelerations are studied. The results of slosh wave excitation along the liquid-vapor interface induced by gravity gradient-dominated accelerations provide a torsional moment with tidal motion of bubble oscillations in the rotating dewar. The results are clearly seen from the twisting shape of the bubble oscillations driven by gravity gradient-dominated acceleration. The results of slosh wave excitation along the liquid-vapor interface induced by gravity jitter-dominated acceleration indicate the results of bubble motion in a manner of down-and-up and leftward-and-rightward movement of oscillation when the bubble is rotating with respect to rotating dewar axis. Fluctuations of angular momentum, fluid moment and bubble mass center caused by slosh wave excitations driven by gravity gradient acceleration or gravity jitter acceleration are also investigated.
Synthesis and Characterization of Glassy Carbon Nanowires
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.
Mechanical Properties for Reliability Analysis of Structures in Glassy Carbon
Garion, Cédric
2014-01-01
Despite its good physical properties, the glassy carbon material is not widely used, especially for structural applications. Nevertheless, its transparency to particles and temperature resistance are interesting properties for the applications to vacuum chambers and components in high energy physics. For example, it has been proposed for fast shutter valve in particle accelerator [1] [2]. The mechanical properties have to be carefully determined to assess the reliability of structures in such a material. In this paper, mechanical tests have been carried out to determine the elastic parameters, the strength and toughness on commercial grades. A statistical approach, based on the Weibull’s distribution, is used to characterize the material both in tension and compression. The results are compared to the literature and the difference of properties for these two loading cases is shown. Based on a Finite Element analysis, a statistical approach is applied to define the reliability of a structural component in gl...
Enthalpy and Mechanical Relaxation of Glassy Gelatin Films
F Badii
2005-10-01
Full Text Available Glassy materials are not thermodynamically stable and during storage below the glass transition temperature (Tg, they are subjected to the time dependent changes towards the equilibrium. These changes are known as physical ageing, which is the basic feature of glassy materials below Tg. During ageing process, physical properties such as enthalpy and volume decrease and these changes are accompanied by important changes in mechanical properties such as change to modulus, compliance and mechanical relaxation, which are of great technological importance. The aim of this study is to investigate the occurrence of the mechanical relaxation in the glassy gelatin and compare it to the enthalpy relaxation phenomenon and try to correlate the rate of mechanical relaxation to the rate of enthalpy relaxation, which is the more reliable and frequent way for studying physical ageing. The extent of enthalpy relaxation of gelatin films with different water contents of 8%, 12 and 17%, measured by differential scanning calorimetry (DSC, was found to increase with increasing the ageing time. The mechanical behaviour of the gelatin films was measured, using dynamic mechanical thermal analysis (DMTA. The mechanical behaviour of gelatin showed time and frequency-dependent changes. Storage modulus increased during isothermal ageing and gelatin became harder and stiffer at higher frequency than that at low frequency. In order to assess the rate of mechanical relaxation, the classical time-ageing time superposition was applied to the results. The rate and extent of mechanical ageing were increased at higher water contents. A good agreement was found between the rate of the enthalpy relaxation and the changes to the mechanical properties at different water contents, suggesting that DSC measurements of enthalpy relaxation, which can be more easily implemented, can be used as indicator of mechanical changes.
k-t Group sparse: a method for accelerating dynamic MRI.
Usman, M; Prieto, C; Schaeffter, T; Batchelor, P G
2011-10-01
Compressed sensing (CS) is a data-reduction technique that has been applied to speed up the acquisition in MRI. However, the use of this technique in dynamic MR applications has been limited in terms of the maximum achievable reduction factor. In general, noise-like artefacts and bad temporal fidelity are visible in standard CS MRI reconstructions when high reduction factors are used. To increase the maximum achievable reduction factor, additional or prior information can be incorporated in the CS reconstruction. Here, a novel CS reconstruction method is proposed that exploits the structure within the sparse representation of a signal by enforcing the support components to be in the form of groups. These groups act like a constraint in the reconstruction. The information about the support region can be easily obtained from training data in dynamic MRI acquisitions. The proposed approach was tested in two-dimensional cardiac cine MRI with both downsampled and undersampled data. Results show that higher acceleration factors (up to 9-fold), with improved spatial and temporal quality, can be obtained with the proposed approach in comparison to the standard CS reconstructions. PMID:21394781
Dynamics of a non-cylindrical Z-pinch and the particle acceleration mechanism
The dynamics of a plasma in a Z-pinch is considered theoretically, and it is shown that: (1) anisotropic hydrodynamics with magnetic visconsity is a correct collisionless MHD model for the plasma; (2) this model enables the drift instability of the Z-pinch boundary which results in turbulent diffusion with the ''Bohm'' coefficient D approximately cT/eB to be investigated; (3) this coefficient in accordance with the formula lambda approximately √2Dt approximately √a/J0 defines the length of the sausage-type instability which is the same as that observed; (4) as a result of the partial replacement of the conduction current by a displacement current, a wave in which the condition E>B is inevitably satisfied develops and this results in acceleration of both the ions and the electrons; (5) allowance for the Hall effect results in increased escape of plasma from the sausage-type instability; (6) transverse-current instabilities play an important part in the dynamics of the final stage of the plasma focus, and the anomalous conductivity due to these instabilities gives rise to increased heating and cessation of radial plasma confinement; (7) the neutron yield from the plasma focus may be explained quantitatively by a thermonuclear mechanism on the basis of a simple model for the development of the plasma focus. (author)
Accelerated dynamic MRI exploiting sparsity and low-rank structure: k-t SLR.
Lingala, Sajan Goud; Hu, Yue; DiBella, Edward; Jacob, Mathews
2011-05-01
We introduce a novel algorithm to reconstruct dynamic magnetic resonance imaging (MRI) data from under-sampled k-t space data. In contrast to classical model based cine MRI schemes that rely on the sparsity or banded structure in Fourier space, we use the compact representation of the data in the Karhunen Louve transform (KLT) domain to exploit the correlations in the dataset. The use of the data-dependent KL transform makes our approach ideally suited to a range of dynamic imaging problems, even when the motion is not periodic. In comparison to current KLT-based methods that rely on a two-step approach to first estimate the basis functions and then use it for reconstruction, we pose the problem as a spectrally regularized matrix recovery problem. By simultaneously determining the temporal basis functions and its spatial weights from the entire measured data, the proposed scheme is capable of providing high quality reconstructions at a range of accelerations. In addition to using the compact representation in the KLT domain, we also exploit the sparsity of the data to further improve the recovery rate. Validations using numerical phantoms and in vivo cardiac perfusion MRI data demonstrate the significant improvement in performance offered by the proposed scheme over existing methods. PMID:21292593
Jacobitz, Frank G; Schneider, Kai; Bos, Wouter J T; Farge, Marie
2016-01-01
The acceleration statistics of sheared and rotating homogeneous turbulence are studied using direct numerical simulation results. The statistical properties of Lagrangian and Eulerian accelerations are considered together with the influence of the rotation to shear ratio, as well as the scale dependence of their statistics. The probability density functions (pdfs) of both Lagrangian and Eulerian accelerations show a strong and similar dependence on the rotation to shear ratio. The variance and flatness of both accelerations are analyzed and the extreme values of the Eulerian acceleration are observed to be above those of the Lagrangian acceleration. For strong rotation it is observed that flatness yields values close to three, corresponding to Gaussian-like behavior, and for moderate and vanishing rotation the flatness increases. Furthermore, the Lagrangian and Eulerian accelerations are shown to be strongly correlated for strong rotation due to a reduced nonlinear term in this case. A wavelet-based scale-dependent analysis shows that the flatness of both Eulerian and Lagrangian accelerations increases as scale decreases, which provides evidence for intermittent behavior. For strong rotation the Eulerian acceleration is even more intermittent than the Lagrangian acceleration, while the opposite result is obtained for moderate rotation. Moreover, the dynamics of a passive scalar with gradient production in the direction of the mean velocity gradient is analyzed and the influence of the rotation to shear ratio is studied. Concerning the concentration of a passive scalar spread by the flow, the pdf of its Eulerian time rate of change presents higher extreme values than those of its Lagrangian time rate of change. This suggests that the Eulerian time rate of change of scalar concentration is mainly due to advection, while its Lagrangian counterpart is only due to gradient production and viscous dissipation. PMID:26871161
Jacobitz, Frank G.; Schneider, Kai; Bos, Wouter J. T.; Farge, Marie
2016-01-01
The acceleration statistics of sheared and rotating homogeneous turbulence are studied using direct numerical simulation results. The statistical properties of Lagrangian and Eulerian accelerations are considered together with the influence of the rotation to shear ratio, as well as the scale dependence of their statistics. The probability density functions (pdfs) of both Lagrangian and Eulerian accelerations show a strong and similar dependence on the rotation to shear ratio. The variance and flatness of both accelerations are analyzed and the extreme values of the Eulerian acceleration are observed to be above those of the Lagrangian acceleration. For strong rotation it is observed that flatness yields values close to three, corresponding to Gaussian-like behavior, and for moderate and vanishing rotation the flatness increases. Furthermore, the Lagrangian and Eulerian accelerations are shown to be strongly correlated for strong rotation due to a reduced nonlinear term in this case. A wavelet-based scale-dependent analysis shows that the flatness of both Eulerian and Lagrangian accelerations increases as scale decreases, which provides evidence for intermittent behavior. For strong rotation the Eulerian acceleration is even more intermittent than the Lagrangian acceleration, while the opposite result is obtained for moderate rotation. Moreover, the dynamics of a passive scalar with gradient production in the direction of the mean velocity gradient is analyzed and the influence of the rotation to shear ratio is studied. Concerning the concentration of a passive scalar spread by the flow, the pdf of its Eulerian time rate of change presents higher extreme values than those of its Lagrangian time rate of change. This suggests that the Eulerian time rate of change of scalar concentration is mainly due to advection, while its Lagrangian counterpart is only due to gradient production and viscous dissipation.
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. PMID:25340458
Infiltration of Glassy Bodies with Zirconia Nanoparticles
Zirconia nanoparticles (10-50 nm) were infiltrated into commercial glasses to modify their mechanical properties. The process developed allows a homogeneous distribution of the nanoparticles within the glassy matrix. Differential thermal analysis, thermo-gravimetric analysis, X-ray diffraction, scanning and transmission electron microscopy and energy dispersive spectroscopy mapping analysis where utilized to characterize the resulting composites
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.
Stock Market Dynamics, Leveraged Network-Based Financial Accelerator and Monetary Policy
Luca RICCETTI; Russo, Alberto; Gallegati, Mauro
2015-01-01
In this paper we build an agent-based model based on a threefold financial accelerator: (i) leverage accelerator - negative shocks on firms' output make banks less willing to loan funds, and firms less willing to make investments, hence a credit reduction follows further reducing the output; (ii) stock market accelerator - due to lower profit, firms' capitalization on the stock market decreases, thus the distance-to-default (DD) diminishes and it reinforces the leverage accelerator; (iii) net...
We investigate a linear accelerator system capable of generating short electron beams and femtosecond hard X-ray pulses. We show a detailed for a two-stage bunch compressor to generate the short electron beams in the linear accelerator. The bunch compressor system consists of two chicanes with a short system length that can compress an electron bunch of 0.6 nC and beam energy of 162 MeV, from 3 to 0.5 ps rms. One important design issue in the bunch compressor is to make as small growths of the emittance and energy spread as possible. The normalized horizontal emittance of 3 mm mrad is increased by approximately 10% due to coherent synchrotron radiation in the designed bunch compressor. Lattice distortions due to machine errors associate with quadrupole magnets, bending magnets and beam position monitors in the linear accelerator were investigated. It is shown that the lattice distortions due to the machine errors can be easily compensated by performing both orbit correction and dispersion correction in the linear accelerator. We have performed tolerance studies due to the various jitter sources in the linear accelerator to examine their sensitivities on the beam quality. From these results, it is shown that the linear accelerator system provides sufficient tolerances to maintain stable electron beams. We also investigated the generation of femtosecond hard X-ray pulses that may be provided by the interactions at 90deg of the short electron beams in the linear accelerator with a laser system. It is shown that 3.4x106 photons within 10% bandwidth at 0.04 A wavelength in about 350 fs rms pulse may be provided using the linear accelerator system. We presented studies on beam dynamics in the linear accelerator system that may provide the short beams and intense X-ray pulses. (author)
Plastic flow modeling in glassy polymers
Clements, Brad [Los Alamos National Laboratory
2010-12-13
Glassy amorphous and semi-crystalline polymers exhibit strong rate, temperature, and pressure dependent polymeric yield. As a rule of thumb, in uniaxial compression experiments the yield stress increases with the loading rate and applied pressure, and decreases as the temperature increases. Moreover, by varying the loading state itself complex yield behavior can be observed. One example that illustrates this complexity is that most polymers in their glassy regimes (i.e., when the temperature is below their characteristic glass transition temperature) exhibit very pronounced yield in their uniaxial stress stress-strain response but very nebulous yield in their uniaxial strain response. In uniaxial compression, a prototypical glassy-polymer stress-strain curve has a stress plateau, often followed by softening, and upon further straining, a hardening response. Uniaxial compression experiments of this type are typically done from rates of 10{sup -5} s{sup -1} up to about 1 s{sup -1}. At still higher rates, say at several thousands per second as determined from Split Hopkinson Pressure Bar experiments, the yield can again be measured and is consistent with the above rule of thumb. One might expect that that these two sets of experiments should allow for a successful extrapolation to yet higher rates. A standard means to probe high rates (on the order of 105-107 S-I) is to use a uniaxial strain plate impact experiment. It is well known that in plate impact experiments on metals that the yield stress is manifested in a well-defined Hugoniot Elastic Limit (HEL). In contrast however, when plate impact experiments are done on glassy polymers, the HEL is arguably not observed, let alone observed at the stress estimated by extrapolating from the lower strain rate experiments. One might argue that polymer yield is still active but somehow masked by the experiment. After reviewing relevant experiments, we attempt to address this issue. We begin by first presenting our recently
Transverse beam dynamics in non-linear Fixed Field Alternating Gradient accelerators
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.
The dynamics of ionization-induced electron injection in high density (∼1.2 × 1019 cm−3) regime of laser wakefield acceleration is investigated by analyzing the betatron X-ray emission. In such high density operation, the laser normalized vector potential exceeds the injection-thresholds of both ionization-injection and self-injection due to self-focusing. In this regime, direct experimental evidence of early on-set of ionization-induced injection into the plasma wave is given by mapping the X-ray emission zone inside the plasma. Particle-In-Cell simulations show that this early on-set of ionization-induced injection, due to its lower trapping threshold, suppresses the trapping of self-injected electrons. A comparative study of the electron and X-ray properties is performed for both self-injection and ionization-induced injection. An increase of X-ray fluence by at least a factor of two is observed in the case of ionization-induced injection due to increased trapped charge compared to self-injection mechanism
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...
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.
Investigations of Beam Dynamics Issues at Current and Future Hadron Accelerators
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
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. PMID:27323281
Wafer-level microstructuring of glassy carbon
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.
A general comparison is made between two methods of measuring the gravitational constant G. The angular acceleration method can avoid the anelasticity effect since the torsion fiber is not twisted. The dynamic deflection method is similar in principle but it does not use feedback, therefore a major noise introduced by the feedback control system in the angular acceleration method can be avoided. Both methods have their advantages and can be performed with the same device. Based on different expressions of G, we have expressed the signal-to-noise ratio and calculated the thermal noise limit for both methods. In order to get a lower thermal noise limit, the dynamic deflection method should avoid resonance.
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
Suzuki, Yasuyuki; Morimoto, Hiroki; Kiyono, Ken; Morasso, Pietro; Nomura, Taishin
2015-08-01
Multiple joint movements during human quiet standing exhibit characteristic inter-joint coordination, shortly referred to as reciprocal relationship, in which angular acceleration of the hip joint is linearly and negatively correlated with that of the ankle joint (antiphase coordination) and, moreover, acceleration of the center of mass (CoM) of the double-inverted-pendulum (DIP) model of the human body is close to zero constantly. A question considered in this study is whether the reciprocal relationship is established by active neural control of the posture, or rather it is a biomechanical consequence of non-actively controlled body dynamics. To answer this question, we consider a DIP model of quiet standing, and show that the reciprocal relationship always holds by Newton's second law applied to the DIP model with human anthropometric dimensions, regardless of passive and active joint torque patterns acting on the ankle and hip joints. We then show that characteristic frequencies included in experimental sway trajectories with the reciprocal relationship match with harmonics of the eigenfrequency of the stable antiphase eigenmode of the non-actively controlled DIP-like unstable body dynamics. The results suggest that non-actively controlled DIP-like mechanical dynamics is a major cause of the minimization of the CoM acceleration during quiet standing, which is consistent with a type of control strategy that allows switching off active neural control intermittently for suitable periods of time during quiet standing. PMID:26736538
A Framework for Dynamically-Loaded Hardware Library (HLL) in FPGA Acceleration
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...... 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...
Cooperative heterogeneous facilitation: multiple glassy states and glass-glass transition
Sellitto, Mauro
2012-01-01
The formal structure of glass singularities in the mode-coupling theory (MCT) of supercooled liquids dynamics is closely related to that appearing in the analysis of heterogeneous bootstrap percolation on Bethe lattices, random graphs and complex networks. Starting from this observation one can build up microscopic on lattice realizations of schematic MCT based on cooperative facilitated spin mixtures. I discuss a microscopic implementation of the F13 schematic model including multiple glassy...
Masafumi Miwa; Kazato Oishi; Yasuhiro Nakagawa; Hiromichi Maeno; Hiroki Anzai; Hajime Kumagai; Kanji Okano; Hisaya Tobioka; Hiroyuki Hirooka
2015-01-01
Estimating the energy expenditure of farm animals at pasture is important for efficient animal management. In recent years, an alternative technique for estimating energy expenditure by measuring body acceleration has been widely performed in wildlife and human studies, but the availability of the technique in farm animals has not yet been examined. In the present study, we tested the potential use of an acceleration index, overall dynamic body acceleration (ODBA), as a new proxy for estimati...
Daniel Ruijters
2009-01-01
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 lenticu...
Transverse beam dynamics in recirculating accelerators for heavy-ion fusion
A conceptual design for a circular induction accelerator has been proposed as a driver for heavy-ion fusion. In such an accelerator, errors in dipole strength and quadrupole alignment affect the transverse motion of the beam centroid. Analytic and numerical estimates are made of the beam-centroid displacement due to these errors, and a steering algorithm to correct the transverse mismatch from these errors is described and tested numerically
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%.
Water sorption and diffusion in glassy polymers
Davis, Eric Mikel
Water sorption and diffusion in glassy polymers is important in many fields, including drug delivery, desalination, energy storage and delivery, and packaging. Accurately measuring and understanding the underlying transport mechanisms of water in these glassy polymers is often complex due to both the nonequilibrium state of the polymer and the self-associating nature of water (e.g., hydrogen bonding). In this work, water sorption and diffusion in a number of glassy polymers were measured using gravimetric and spectroscopic techniques, including quartz spring microbalance, quartz crystal microbalance, and in situ time-resolved Fourier transform infrared-attenuated total reflectance (FTIR-ATR) spectroscopy. Non-Fickian diffusion was observed in all polymers studied, indicated by an initial stage of water uptake, followed by a second stage of continuous, gradual uptake of water at later experimental times. These phenomena were attributed to diffusion driven by a concentration gradient, as well as diffusion driven by slow polymer relaxation resulting in additional water ingress over time. In order to gain additional insight into these phenomena, which are a product of nonequilibrium state of the polymers, diffusion-relaxation models were developed and employed to determine the time scales for both diffusion and polymer relaxation, where the ratio of these values (Deborah number) confirmed the observed non-Fickian water diffusion. In addition, the solubility of water in these polymers was predicted using two nonequilibrium thermodynamic models: the nonequilibrium lattice fluid (NELF) model and the nonequilibrium statistical associating fluid theory (NE-SAFT), where excellent agreement between the NE-SAFT predictions and experimental data was obtained over the entire water vapor activity range explored. Furthermore, the states of water were analyzed using the Zimm-Lundberg clustering theory, as well as in situ FTIR-ATR spectroscopy, where the latter technique provides a
Iodine based nuclear waste immobilization in phosphate glassy matrix
The incorporation of iodine in an inorganic matrix is a challenging issue due to its volatility while processed at high temperature. Since one application could be the conditioning of iodine 129, a long-lived radioactive isotope issued from nuclear spent fuel reprocessing, this phenomenon should be strictly controlled. The development of a conditioning matrix could also require chemical durability properties so that to make the final material suitable for a potential long term disposal. Two ways of conditioning, both allowing iodine incorporation at atomic scale -first step for efficient immobilization-, are related in the literature: Ceramic matrix belonging to the lead-vanado-phosphate system and glassy matrices of borosilicate or phosphate systems. In the present study, we present and characterize low melting points glasses of the AgI-Ag2O-P2O5 system, whose potentialities for the atomic incorporation of iodine inactive isotope have already been investigated in the past but with other specifications. The synthesized glasses showed efficient iodine incorporation rate (lesser iodine volatilization than other glassy systems). Nevertheless, the low thermal stability of this material, due to a low glass transition temperature, did not allowed us to carry out durability tests in dynamic conditions at 100 deg C , which would be useful for further compositional benchmarking. Further compositional optimizations have been performed by the use of additives so that to increase both the Tg, and the chemical durability. The effects of phosphate network reticulating additives as well as the mechanisms of iodine atomic incorporation have monitored by NMR spectroscopy. (author)
An S-band (2856 MHz) 5 MeV, 3 kW traveling wave linear accelerator is currently under design and development at Raja Ramanna Centre for Advanced Technology, Indore. The accelerating structure is a 2π/3 mode constant impedance traveling wave structure, designed to accelerates the 50 keV electron beam from the electron gun to 5 MeV. It comprises of traveling wave buncher cells followed by regular accelerating cells. This paper presents the details of electromagnetic design simulations to fix the mechanical dimensions and tolerances, as well as heat loss calculations in the structure. Comparison of the results obtained from detailed numerical simulations with those obtained from approximate analytical calculations is described in the paper. The beam dynamics simulation from beginning to end of the linac is also performed and the required magnetic field profile for keeping the beam focused in the linac has been evaluated. The aim has been to maximize the capture efficiency with reduced energy spread in a short and compact structure. (author)
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.
Approaching theoretical strength in glassy carbon nanolattices
Bauer, J.; Schroer, A.; Schwaiger, R.; Kraft, O.
2016-04-01
The strength of lightweight mechanical metamaterials, which aim to exploit material-strengthening size effects by their microscale lattice structure, has been limited by the resolution of three-dimensional lithography technologies and their restriction to mainly polymer resins. Here, we demonstrate that pyrolysis of polymeric microlattices can overcome these limitations and create ultra-strong glassy carbon nanolattices with single struts shorter than 1 μm and diameters as small as 200 nm. They represent the smallest lattice structures yet produced--achieved by an 80% shrinkage of the polymer during pyrolysis--and exhibit material strengths of up to 3 GPa, corresponding approximately to the theoretical strength of glassy carbon. The strength-to-density ratios of the nanolattices are six times higher than those of reported microlattices. With a honeycomb topology, effective strengths of 1.2 GPa at 0.6 g cm-3 are achieved. Diamond is the only bulk material with a notably higher strength-to-density ratio.