Development of a 3D-Multigroup program to simulate anomalous diffusion phenomena in the nuclear reactors

International Nuclear Information System (INIS)

Maleki Moghaddam, Nader; Afarideh, Hossein; Espinosa-Paredes, Gilberto

2015-01-01

Highlights: • The new version of neutron diffusion equation for simulating anomalous diffusion is presented. • Application of fractional calculus in the nuclear reactor is revealed. • A 3D-Multigroup program is developed based on the fractional operators. • The super-diffusion and sub-diffusion phenomena are modeled in the nuclear reactors core. - Abstract: The diffusion process is categorized in three parts, normal diffusion, super-diffusion and sub-diffusion. The classical neutron diffusion equation is used to model normal diffusion. A new scheme of derivatives is required to model anomalous diffusion phenomena. The fractional space derivatives are employed to model anomalous diffusion processes where a plume of particles spreads at an inconsistent rate with the classical Brownian motion model. In the fractional diffusion equation, the fractional Laplacians are used; therefore the statistical jump length of neutrons is unrestricted. It is clear that the fractional Laplacians are capable to model the anomalous phenomena in nuclear reactors. We have developed a NFDE-3D (neutron fractional diffusion equation) as a core calculation code to model normal and anomalous diffusion phenomena. The NFDE-3D is validated against the LMW-LWR reactor. The results demonstrate that reactors exhibit complex behavior versus order of the fractional derivatives which depends on the competition between neutron absorption and super-diffusion phenomenon

Anomalous diffusion in niobium. Study of solute diffusion mechanism of iron in niobium

International Nuclear Information System (INIS)

Ablitzer, D.

1977-01-01

In order to explain anomalously high diffusion velocities observed for iron diffusion in niobium, the following parameters were measured: isotope effect, b factor (which expresses the effect of iron on niobium self-diffusion), self-diffusion coefficient of niobium, solute diffusion coefficient of iron in niobium. The results obtained show that neither pure vacancy models, nor diffusion in the lattice defects (dislocations, sub-boundaries, grain boundaries), nor pure interstitialy mechanisms, nor simple or cyclic exchange mechanisms agree with experiments. A mechanism is proposed which considers an equilibrium between substitution iron atoms and interstitial iron atoms. The diffusion of iron then occurs through interstitial vancancy pairs [fr

Anomalous fast diffusion in Cu-NiFe nanolaminates.

Energy Technology Data Exchange (ETDEWEB)

Jankowski, Alan F. [Sandia National Laboratories (SNL-CA), Livermore, CA (United States). Energy Nanomaterials Dept.

2017-09-01

For this work, the decomposition of the one-dimensional composition wave in Cu-NiFe nanolaminate structures is examined using x-ray diffraction to assess the kinetics of phase decomposition. The anomalously high diffusivity value found for long-term aging at room temperature is attributed to the inherent nanostructure that features paths for short-circuit diffusion in nanolaminates as attributed to interlayer grain boundaries.

Anomalous dimension in a two-species reaction-diffusion system

Science.gov (United States)

Vollmayr-Lee, Benjamin; Hanson, Jack; McIsaac, R. Scott; Hellerick, Joshua D.

2018-01-01

We study a two-species reaction-diffusion system with the reactions A+A\\to (0, A) and A+B\\to A , with general diffusion constants D A and D B . Previous studies showed that for dimensions d≤slant 2 the B particle density decays with a nontrivial, universal exponent that includes an anomalous dimension resulting from field renormalization. We demonstrate via renormalization group methods that the scaled B particle correlation function has a distinct anomalous dimension resulting in the asymptotic scaling \\tilde CBB(r, t) ˜ tφf(r/\\sqrt{t}) , where the exponent ϕ results from the renormalization of the square of the field associated with the B particles. We compute this exponent to first order in \

Anomalous diffusion of water molecules at grain boundaries in ice Ih.

Science.gov (United States)

Moreira, Pedro Augusto Franco Pinheiro; Veiga, Roberto Gomes de Aguiar; Ribeiro, Ingrid de Almeida; Freitas, Rodrigo; Helfferich, Julian; de Koning, Maurice

2018-05-23

Using ab initio and classical molecular dynamics simulations, we study pre-melting phenomena in pristine coincident-site-lattice grain boundaries (GBs) in proton-disordered hexagonal ice Ih at temperatures just below the melting point Tm. Concerning pre-melt-layer thicknesses, the results are consistent with the available experimental estimates for low-disorder impurity-free GBs. With regard to molecular mobility, the simulations provide a key new insight: the translational motion of the water molecules is found to be subdiffusive for time scales from ∼10 ns up to at least 0.1 μs. Moreover, the fact that the anomalous diffusion occurs even at temperatures just below Tm where the bulk supercooled liquid still diffuses normally suggests that it is related to the confinement of the GB pre-melt layers by the surrounding crystalline environment. Furthermore, we show that this behavior can be characterized by continuous-time random walk models in which the waiting-time distributions decay according to power-laws that are very similar to those describing dynamics in glass-forming systems.

Self-similar anomalous diffusion and Levy-stable laws

International Nuclear Information System (INIS)

Uchaikin, Vladimir V

2003-01-01

Stochastic principles for constructing the process of anomalous diffusion are considered, and corresponding models of random processes are reviewed. The self-similarity and the independent-increments principles are used to extend the notion of diffusion process to the class of Levy-stable processes. Replacing the independent-increments principle with the renewal principle allows us to take the next step in generalizing the notion of diffusion, which results in fractional-order partial space-time differential equations of diffusion. Fundamental solutions to these equations are represented in terms of stable laws, and their relationship to the fractality and memory of the medium is discussed. A new class of distributions, called fractional stable distributions, is introduced. (reviews of topical problems)

Condition of damping of anomalous radial transport, determined by ordered convective electron dynamics

International Nuclear Information System (INIS)

Maslov, V.I.; Barchuk, S.V.; Lapshin, V.I.; Volkov, E.D.; Melentsov, Yu.V.

2006-01-01

It is shown, that at development of instability due to a radial gradient of density in the crossed electric and magnetic fields in nuclear fusion installations ordering convective cells can be excited. It provides anomalous particle transport. The spatial structures of these convective cells have been constructed. The radial dimensions of these convective cells depend on their amplitudes and on a radial gradient of density. The convective-diffusion equation for radial dynamics of the electrons has been derived. At the certain value of the universal controlling parameter, the convective cell excitation and the anomalous radial transport are suppressed. (author)

The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion

International Nuclear Information System (INIS)

Guo, Ran; Du, Jiulin

2015-01-01

We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution

The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion

Energy Technology Data Exchange (ETDEWEB)

Guo, Ran; Du, Jiulin, E-mail: jiulindu@aliyun.com

2015-08-15

We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution.

Trapped ion depletion by anomalous diffusion due to the dissipative trapped ion instability

International Nuclear Information System (INIS)

Wimmel, H.K.

1975-07-01

At high temperatures the KADOMTSEV-POGUTSE diffusion in tokamaks can become so large as to cause depletion of trapped ions if these are replaced with free ions by means of collisions rather than being directly recycled or injected. Modified KADOMTSEV-POGUTSE diffusion formulas are employed in order to estimate this effect in the cases of classical and anomalous collisions. The maximum trapped-ion depletion is estimated from the PENROSE stability condition. For anomalous collisions a BOHM-type diffusion is derived. Numerical examples are given for JET-like parameters (JET = Joint European Torus). Depletion is found to reduce diffusion by factors of up to 10 and more. (orig.) [de

Anomalous transport regimes in a stochastic advection-diffusion model

International Nuclear Information System (INIS)

Dranikov, I.L.; Kondratenko, P.S.; Matveev, L.V.

2004-01-01

A general solution to the stochastic advection-diffusion problem is obtained for a fractal medium with long-range correlated spatial fluctuations. A particular transport regime is determined by two basic parameters: the exponent 2h of power-law decay of the two-point velocity correlation function and the mean advection velocity u. The values of these parameters corresponding to anomalous diffusion are determined, and anomalous behavior of the tracer distribution is analyzed for various combinations of u and h. The tracer concentration is shown to decrease exponentially at large distances, whereas power-law decay is predicted by fractional differential equations. Equations that describe the essential characteristics of the solution are written in terms of coupled space-time fractional differential operators. The analysis relies on a diagrammatic technique and makes use of scale-invariant properties of the medium

Anomalous diffusion on 2d randomly oriented diode networks

International Nuclear Information System (INIS)

Aydiner, E.; Kiymach, K.

2002-01-01

In this work, we have studied the diffusion properties of a randomly oriented two- dimensional diode network, using Monte Carlo Simulation method. The characteristic exponent α of the diffusion is obtained against the reverse transition probability W γ . We have found two critical values of W γ ; 0.003 and 0.4. α has been found to be 0.376 for W γ ≤ 0.003, and ≅ 1 for W γ ≥ 0.4 . For W γ >0.4 normal diffusion, and for 0.003≤W γ ≤0.4 anomalous sub-diffusion are observed. But for W γ ≤0.003 there seems to be no diffusion at all

A fractional Fokker-Planck model for anomalous diffusion

Energy Technology Data Exchange (ETDEWEB)

Anderson, Johan, E-mail: anderson.johan@gmail.com [Department of Earth and Space Sciences, Chalmers University of Technology, SE-412 96 Göteborg (Sweden); Kim, Eun-jin [Department of Mathematics and Statistics, University of Sheffield, Hicks Building, Hounsfield Road, Sheffield S3 7RH (United Kingdom); Moradi, Sara [Ecole Polytechnique, CNRS UMR7648, LPP, F-91128 Palaiseau (France)

2014-12-15

In this paper, we present a study of anomalous diffusion using a Fokker-Planck description with fractional velocity derivatives. The distribution functions are found using numerical means for varying degree of fractionality of the stable Lévy distribution. The statistical properties of the distribution functions are assessed by a generalized normalized expectation measure and entropy in terms of Tsallis statistical mechanics. We find that the ratio of the generalized entropy and expectation is increasing with decreasing fractionality towards the well known so-called sub-diffusive domain, indicating a self-organising behavior.

Anomalous diffusion in geophysical and laboratory turbulence

Directory of Open Access Journals (Sweden)

A. Tsinober

1994-01-01

Full Text Available We present an overview and some new results on anomalous diffusion of passive scalar in turbulent flows (including those used by Richardson in his famous paper in 1926. The obtained results are based on the analysis of the properties of invariant quantities (energy, enstrophy, dissipation, enstrophy generation, helicity density, etc. - i.e. independent of the choice of the system of reference as the most appropriate to describe physical processes - in three different turbulent laboratory flows (grid-flow, jet and boundary layer, see Tsinober et al. (1992 and Kit et al. (1993. The emphasis is made on the relations between the asymptotic properties of the intermittency exponents of higher order moments of different turbulent fields (energy, dissipation, helicity, spontaneous breaking of isotropy and reflexional symmetry and the variability of turbulent diffusion in the atmospheric boundary layer, in the troposphere and in the stratosphere. It is argued that local spontaneous breaking of isotropy of turbulent flow results in anomalous scaling laws for turbulent diffusion (as compared to the scaling law of Richardson which are observed, as a rule, in different atmospheric layers from the atmospheric boundary layer (ABL to the stratosphere. Breaking of rotational symmetry is important in the ABL, whereas reflexional symmetry breaking is dominating in the troposphere locally and in the stratosphere globally. The results are of speculative nature and further analysis is necessary to validate or disprove the claims made, since the correspondence with the experimental results may occur for the wrong reasons as happens from time to time in the field of turbulence.

Superstatistical generalised Langevin equation: non-Gaussian viscoelastic anomalous diffusion

Science.gov (United States)

Ślęzak, Jakub; Metzler, Ralf; Magdziarz, Marcin

2018-02-01

Recent advances in single particle tracking and supercomputing techniques demonstrate the emergence of normal or anomalous, viscoelastic diffusion in conjunction with non-Gaussian distributions in soft, biological, and active matter systems. We here formulate a stochastic model based on a generalised Langevin equation in which non-Gaussian shapes of the probability density function and normal or anomalous diffusion have a common origin, namely a random parametrisation of the stochastic force. We perform a detailed analysis demonstrating how various types of parameter distributions for the memory kernel result in exponential, power law, or power-log law tails of the memory functions. The studied system is also shown to exhibit a further unusual property: the velocity has a Gaussian one point probability density but non-Gaussian joint distributions. This behaviour is reflected in the relaxation from a Gaussian to a non-Gaussian distribution observed for the position variable. We show that our theoretical results are in excellent agreement with stochastic simulations.

On mean square displacement behaviors of anomalous diffusions with variable and random orders

International Nuclear Information System (INIS)

Sun Hongguang; Chen Wen; Sheng Hu; Chen Yangquan

2010-01-01

Mean square displacement (MSD) is used to characterize anomalous diffusion. Recently, models of anomalous diffusion with variable-order and random-order were proposed, but no MSD analysis has been given so far. The purpose of this Letter is to offer a concise derivation of MSD functions for the variable-order model and the random-order model. Numerical results are presented to illustrate the analytical results. In addition, we show how to establish a variable-random-order model for a given MSD function which has clear application potentials.

Stochastic foundations in movement ecology anomalous diffusion, front propagation and random searches

CERN Document Server

Méndez, Vicenç; Bartumeus, Frederic

2014-01-01

This book presents the fundamental theory for non-standard diffusion problems in movement ecology. Lévy processes and anomalous diffusion have shown to be both powerful and useful tools for qualitatively and quantitatively describing a wide variety of spatial population ecological phenomena and dynamics, such as invasion fronts and search strategies. Adopting a self-contained, textbook-style approach, the authors provide the elements of statistical physics and stochastic processes on which the modeling of movement ecology is based and systematically introduce the physical characterization of ecological processes at the microscopic, mesoscopic and macroscopic levels. The explicit definition of these levels and their interrelations is particularly suitable to coping with the broad spectrum of space and time scales involved in bio-ecological problems.   Including numerous exercises (with solutions), this text is aimed at graduate students and newcomers in this field at the interface of theoretical ecology, mat...

A gedankenexperiment for anomalous diffusion in a charge-fluctuating dusty plasma

International Nuclear Information System (INIS)

Kopp, Andreas; Shchekinov, Yuri A.

2014-01-01

Brownian motion with Gaussian-distributed step-sizes is the prototype of diffusive processes with the typical scaling of the mean-square displacement linear with time. There are, however, processes scaling slower or faster in time due to differently (e.g., power-law) distributed step-sizes, commonly referred to as sub- and superdiffusion, respectively. We address the question whether there is actually a physical reason for a discrimination between normal and anomalous diffusion or whether such processes can be regarded as a special case of normal diffusion with a complicated space- and time-dependent diffusion coefficient. In order to get to the bottom of this question, we construct a numerical gedankenexperiment, which is designed to be as simple as possible and consists of dust particles embedded as test particles into a homogeneous magnetic field that randomly changes their charge. The only parameter governing the system is the ratio of the time-scales for gyration and for recharging. By performing full-orbit simulations of such particles, we are for the first time able to (i) describe a system exhibiting sub-, normal, or superdiffusion as an asymptotic behavior, i.e., not merely as an intermediate state during the evolution of the system. We (ii) observe superdiffusion for low values of the controlling parameter, normal diffusion over a wide plateau of intermediate values, and subdiffusion for high values, i.e., we found (iii) a simple system with one single and illustrative parameter controlling whether the system exhibits super-, normal, or subdiffusion. The crucial point is (iv) a competition between ballistic (particles uncharged, extreme superdiffusion) and confined (charged, extreme subdiffusion) motions. Our system is homogeneous in space and time, so that its (v) behavior cannot be described by normal diffusion with a special diffusion coefficient, and the competition is (vi) fundamentally different from a Gaussian random walk and may be regarded as one

Ohm's law in turbulent plasmas and beta limitations by anomalous diffusion

International Nuclear Information System (INIS)

Borrass, K.

1978-01-01

For axisymmetric diffusive equilibria a condition is derived by means of a generalized Ohm's law. It relates some effective outward particle flux to the toroidal current density. An approximate version of it requires that the corresponding effective diffusion velocity Vsub(D)sup(*) must not exceed the poloidal magnetic diffusion velocity Vsub(m). The simple version of Ohm's law as used in transport calculations only applies if Vsub(D)sup(*)<< Vsub(m). A preliminary discussion is performed for the case of anomalous diffusion due to trapped particle instabilities. (author)

Asymptotic neutron scattering laws for anomalously diffusing quantum particles

Energy Technology Data Exchange (ETDEWEB)

Kneller, Gerald R. [Centre de Biophysique Moléculaire, CNRS, Rue Charles Sadron, 45071 Orléans (France); Université d’Orléans, Chateau de la Source-Ave. du Parc Floral, 45067 Orléans (France); Synchrotron-SOLEIL, L’Orme de Merisiers, 91192 Gif-sur-Yvette (France)

2016-07-28

The paper deals with a model-free approach to the analysis of quasielastic neutron scattering intensities from anomalously diffusing quantum particles. All quantities are inferred from the asymptotic form of their time-dependent mean square displacements which grow ∝t{sup α}, with 0 ≤ α < 2. Confined diffusion (α = 0) is here explicitly included. We discuss in particular the intermediate scattering function for long times and the Fourier spectrum of the velocity autocorrelation function for small frequencies. Quantum effects enter in both cases through the general symmetry properties of quantum time correlation functions. It is shown that the fractional diffusion constant can be expressed by a Green-Kubo type relation involving the real part of the velocity autocorrelation function. The theory is exact in the diffusive regime and at moderate momentum transfers.

Fractional cable equation for general geometry: A model of axons with swellings and anomalous diffusion

Science.gov (United States)

López-Sánchez, Erick J.; Romero, Juan M.; Yépez-Martínez, Huitzilin

2017-09-01

Different experimental studies have reported anomalous diffusion in brain tissues and notably this anomalous diffusion is expressed through fractional derivatives. Axons are important to understand neurodegenerative diseases such as multiple sclerosis, Alzheimer's disease, and Parkinson's disease. Indeed, abnormal accumulation of proteins and organelles in axons is a hallmark of these diseases. The diffusion in the axons can become anomalous as a result of this abnormality. In this case the voltage propagation in axons is affected. Another hallmark of different neurodegenerative diseases is given by discrete swellings along the axon. In order to model the voltage propagation in axons with anomalous diffusion and swellings, in this paper we propose a fractional cable equation for a general geometry. This generalized equation depends on fractional parameters and geometric quantities such as the curvature and torsion of the cable. For a cable with a constant radius we show that the voltage decreases when the fractional effect increases. In cables with swellings we find that when the fractional effect or the swelling radius increases, the voltage decreases. Similar behavior is obtained when the number of swellings and the fractional effect increase. Moreover, we find that when the radius swelling (or the number of swellings) and the fractional effect increase at the same time, the voltage dramatically decreases.

Navigation by anomalous random walks on complex networks.

Science.gov (United States)

Weng, Tongfeng; Zhang, Jie; Khajehnejad, Moein; Small, Michael; Zheng, Rui; Hui, Pan

2016-11-23

Anomalous random walks having long-range jumps are a critical branch of dynamical processes on networks, which can model a number of search and transport processes. However, traditional measurements based on mean first passage time are not useful as they fail to characterize the cost associated with each jump. Here we introduce a new concept of mean first traverse distance (MFTD) to characterize anomalous random walks that represents the expected traverse distance taken by walkers searching from source node to target node, and we provide a procedure for calculating the MFTD between two nodes. We use Lévy walks on networks as an example, and demonstrate that the proposed approach can unravel the interplay between diffusion dynamics of Lévy walks and the underlying network structure. Moreover, applying our framework to the famous PageRank search, we show how to inform the optimality of the PageRank search. The framework for analyzing anomalous random walks on complex networks offers a useful new paradigm to understand the dynamics of anomalous diffusion processes, and provides a unified scheme to characterize search and transport processes on networks.

Navigation by anomalous random walks on complex networks

Science.gov (United States)

Weng, Tongfeng; Zhang, Jie; Khajehnejad, Moein; Small, Michael; Zheng, Rui; Hui, Pan

2016-11-01

Anomalous random walks having long-range jumps are a critical branch of dynamical processes on networks, which can model a number of search and transport processes. However, traditional measurements based on mean first passage time are not useful as they fail to characterize the cost associated with each jump. Here we introduce a new concept of mean first traverse distance (MFTD) to characterize anomalous random walks that represents the expected traverse distance taken by walkers searching from source node to target node, and we provide a procedure for calculating the MFTD between two nodes. We use Lévy walks on networks as an example, and demonstrate that the proposed approach can unravel the interplay between diffusion dynamics of Lévy walks and the underlying network structure. Moreover, applying our framework to the famous PageRank search, we show how to inform the optimality of the PageRank search. The framework for analyzing anomalous random walks on complex networks offers a useful new paradigm to understand the dynamics of anomalous diffusion processes, and provides a unified scheme to characterize search and transport processes on networks.

The influence of collisional and anomalous radial diffusion on parallel ion transport in edge plasmas

International Nuclear Information System (INIS)

Helander, P.; Hazeltine, R.D.; Catto, P.J.

1996-01-01

The orderings in the kinetic equations commonly used to study the plasma core of a tokamak do not allow a balance between parallel ion streaming and radial diffusion, and are, therefore, inappropriate in the plasma edge. Different orderings are required in the edge region where radial transport across the steep gradients associated with the scrape-off layer is large enough to balance the rapid parallel flow caused by conditions close to collecting surfaces (such as the Bohm sheath condition). In the present work, we derive and solve novel kinetic equations, allowing for such a balance, and construct distinctive transport laws for impure, collisional, edge plasmas in which the perpendicular transport is (i) due to Coulomb collisions of ions with heavy impurities, or (ii) governed by anomalous diffusion driven by electrostatic turbulence. In both the collisional and anomalous radial transport cases, we find that one single diffusion coefficient determines the radial transport of particles, momentum and heat. The parallel transport laws and parallel thermal force in the scrape-off layer assume an unconventional form, in which the relative ion-impurity flow is driven by a combination of the conventional parallel gradients, and new (i) collisional or (ii) anomalous terms involving products of radial derivatives of the temperature and density with the radial shear of the parallel velocity. Thus, in the presence of anomalous radial diffusion, the parallel ion transport cannot be entirely classical, as usually assumed in numerical edge computations. The underlying physical reason is the appearance of a novel type of parallel thermal force resulting from the combined action of anomalous diffusion and radial temperature and velocity gradients. In highly sheared flows the new terms can modify impurity penetration into the core plasma

Peclet number as affected by molecular diffusion controls transient anomalous transport in alluvial aquifer-aquitard complexes

Science.gov (United States)

Zhang, Yong; Green, Christopher T.; Tick, Geoffrey R.

2015-01-01

This study evaluates the role of the Peclet number as affected by molecular diffusion in transient anomalous transport, which is one of the major knowledge gaps in anomalous transport, by combining Monte Carlo simulations and stochastic model analysis. Two alluvial settings containing either short- or long-connected hydrofacies are generated and used as media for flow and transport modeling. Numerical experiments show that 1) the Peclet number affects both the duration of the power-law segment of tracer breakthrough curves (BTCs) and the transition rate from anomalous to Fickian transport by determining the solute residence time for a given low-permeability layer, 2) mechanical dispersion has a limited contribution to the anomalous characteristics of late-time transport as compared to molecular diffusion due to an almost negligible velocity in floodplain deposits, and 3) the initial source dimensions only enhance the power-law tail of the BTCs at short travel distances. A tempered stable stochastic (TSS) model is then applied to analyze the modeled transport. Applications show that the time-nonlocal parameters in the TSS model relate to the Peclet number, Pe. In particular, the truncation parameter in the TSS model increases nonlinearly with a decrease in Pe due to the decrease of the mean residence time, and the capacity coefficient increases with an increase in molecular diffusion which is probably due to the increase in the number of immobile particles. The above numerical experiments and stochastic analysis therefore reveal that the Peclet number as affected by molecular diffusion controls transient anomalous transport in alluvial aquifer–aquitard complexes.

Reversible island nucleation and growth with anomalous diffusion

Science.gov (United States)

Sabbar, Ehsan H.; Amar, Jacques G.

2017-10-01

Motivated by recent experiments on submonolayer organic film growth with anomalous diffusion, a general rate-equation (RE) theory of submonolayer island nucleation and growth was developed (Amar and Semaan, 2016) [23], which takes into account the critical island-size i, island fractal dimension df, substrate dimension d, and diffusion exponent μ, and good agreement with simulations was found for the case of irreversible growth corresponding to a critical island-size i = 1 with d = 2 . However, since many experiments correspond to a critical island-size larger than 1, it is of interest to determine if the RE predictions also hold in the case of reversible island nucleation with anomalous diffusion. Here we present the results of simulations of submonolayer growth with i = 2 (d = 2) which were carried out for both the case of superdiffusion (μ > 1) and subdiffusion (μ deposited monomers, excellent agreement is obtained with the predictions of the generalized RE theory for the exponents χ(μ) and χ1(μ) which describe the dependence of the island and monomer densities at fixed coverage on deposition rate F. In addition, the exponents do not depend on whether or not monomers remain superdiffusive or are thermalized (e.g. undergo regular diffusion) after detaching from a dimer. However, we also find that, as was previously found in the case of irreversible growth, the exponent χ only approaches its asymptotic value logarithmically with increasing 1/F. This result has important implications for the interpretation of experiments. Good agreement with the RE theory is also found in the case of subdiffusion for point-islands. However, in the case of ramified islands with subdiffusion and i = 2 , the exponents are significantly higher than predicted due to the fact that monomer capture dominates in the nucleation regime. A modified RE theory which takes this into account is presented, and excellent agreement is found with our simulations.

Probing the type of anomalous diffusion with single-particle tracking.

Science.gov (United States)

Ernst, Dominique; Köhler, Jürgen; Weiss, Matthias

2014-05-07

Many reactions in complex fluids, e.g. signaling cascades in the cytoplasm of living cells, are governed by a diffusion-driven encounter of reactants. Yet, diffusion in complex fluids often exhibits an anomalous characteristic ('subdiffusion'). Since different types of subdiffusion have distinct effects on timing and equilibria of chemical reactions, a thorough determination of the reactants' type of random walk is key to a quantitative understanding of reactions in complex fluids. Here we introduce a straightforward and simple approach for determining the type of subdiffusion from single-particle tracking data. Unlike previous approaches, our method also is sensitive to transient subdiffusion phenomena, e.g. obstructed diffusion below the percolation threshold. We validate our strategy with data from experiment and simulation.

Anomalous Diffusion Approximation of Risk Processes in Operational Risk of Non-Financial Corporations

Science.gov (United States)

Magdziarz, M.; Mista, P.; Weron, A.

2007-05-01

We introduce an approximation of the risk processes by anomalous diffusion. In the paper we consider the case, where the waiting times between successive occurrences of the claims belong to the domain of attraction of alpha -stable distribution. The relationship between the obtained approximation and the celebrated fractional diffusion equation is emphasised. We also establish upper bounds for the ruin probability in the considered model and give some numerical examples.

Lack of anomalous diffusion in linear translationally-invariant systems determined by only one initial condition

International Nuclear Information System (INIS)

Khorrami, Mohammad; Shariati, Ahmad; Aghamohammadi, Amir; Fatollahi, Amir H.

2012-01-01

It is shown that as far as the linear diffusion equation meets both time- and space-translational invariance, the time dependence of a moment of degree α is a polynomial of degree at most equal to α, while all connected moments are at most linear functions of time. As a special case, the variance is an at most linear function of time. -- Highlights: ► The sufficient conditions for having the non-anomalous diffusion are given. ► Conditions are linearity, space-time translation invariance, solution uniqueness. ► Some versions of the fractional derivatives lack the translational invariance. ► It is shown the encoded inhomogeneity in derivatives causes anomalous behavior.

Lack of anomalous diffusion in linear translationally-invariant systems determined by only one initial condition

Energy Technology Data Exchange (ETDEWEB)

Khorrami, Mohammad, E-mail: mamwad@mailaps.org [Department of Physics, Alzahra University, Tehran 19938-93973 (Iran, Islamic Republic of); Shariati, Ahmad, E-mail: shariati@mailaps.org [Department of Physics, Alzahra University, Tehran 19938-93973 (Iran, Islamic Republic of); Aghamohammadi, Amir, E-mail: mohamadi@alzahra.ac.ir [Department of Physics, Alzahra University, Tehran 19938-93973 (Iran, Islamic Republic of); Fatollahi, Amir H., E-mail: ahfatol@gmail.com [Department of Physics, Alzahra University, Tehran 19938-93973 (Iran, Islamic Republic of)

2012-01-16

It is shown that as far as the linear diffusion equation meets both time- and space-translational invariance, the time dependence of a moment of degree α is a polynomial of degree at most equal to α, while all connected moments are at most linear functions of time. As a special case, the variance is an at most linear function of time. -- Highlights: ► The sufficient conditions for having the non-anomalous diffusion are given. ► Conditions are linearity, space-time translation invariance, solution uniqueness. ► Some versions of the fractional derivatives lack the translational invariance. ► It is shown the encoded inhomogeneity in derivatives causes anomalous behavior.

Modeling anomalous diffusion by a subordinated fractional Lévy-stable process

International Nuclear Information System (INIS)

Teuerle, Marek; Wyłomańska, Agnieszka; Sikora, Grzegorz

2013-01-01

Two phenomena that can be discovered in systems with anomalous diffusion are long-range dependence and trapping events. The first effect concerns events that are arbitrarily distant but still influence each other exceptionally strongly, which is characteristic for anomalous regimes. The second corresponds to the presence of constant values of the underlying process. Motivated by the relatively poor class of models that can cover these two phenomena, we introduce subordinated fractional Lévy-stable motion with tempered stable waiting times. We present in detail its main properties, propose a simulation scheme and give an estimation procedure for its parameters. The last part of the paper is a presentation, via the Monte Carlo approach, of the effectiveness of the estimation of the parameters. (paper)

Anomalous diffusion due to hindering by mobile obstacles undergoing Brownian motion or Orstein-Ulhenbeck processes.

Science.gov (United States)

Berry, Hugues; Chaté, Hugues

2014-02-01

In vivo measurements of the passive movements of biomolecules or vesicles in cells consistently report "anomalous diffusion," where mean-squared displacements scale as a power law of time with exponent αmovement hindrance by obstacles is often invoked. However, our understanding of how hindered diffusion leads to subdiffusion is based on diffusion amidst randomly located immobile obstacles. Here, we have used Monte Carlo simulations to investigate transient subdiffusion due to mobile obstacles with various modes of mobility. Our simulations confirm that the anomalous regimes rapidly disappear when the obstacles move by Brownian motion. By contrast, mobile obstacles with more confined displacements, e.g., Orstein-Ulhenbeck motion, are shown to preserve subdiffusive regimes. The mean-squared displacement of tracked protein displays convincing power laws with anomalous exponent α that varies with the density of Orstein-Ulhenbeck (OU) obstacles or the relaxation time scale of the OU process. In particular, some of the values we observed are significantly below the universal value predicted for immobile obstacles in two dimensions. Therefore, our results show that subdiffusion due to mobile obstacles with OU type of motion may account for the large variation range exhibited by experimental measurements in living cells and may explain that some experimental estimates are below the universal value predicted for immobile obstacles.

A tutorial on inverse problems for anomalous diffusion processes

International Nuclear Information System (INIS)

Jin, Bangti; Rundell, William

2015-01-01

Over the last two decades, anomalous diffusion processes in which the mean squares variance grows slower or faster than that in a Gaussian process have found many applications. At a macroscopic level, these processes are adequately described by fractional differential equations, which involves fractional derivatives in time or/and space. The fractional derivatives describe either history mechanism or long range interactions of particle motions at a microscopic level. The new physics can change dramatically the behavior of the forward problems. For example, the solution operator of the time fractional diffusion diffusion equation has only limited smoothing property, whereas the solution for the space fractional diffusion equation may contain weak singularity. Naturally one expects that the new physics will impact related inverse problems in terms of uniqueness, stability, and degree of ill-posedness. The last aspect is especially important from a practical point of view, i.e., stably reconstructing the quantities of interest. In this paper, we employ a formal analytic and numerical way, especially the two-parameter Mittag-Leffler function and singular value decomposition, to examine the degree of ill-posedness of several ‘classical’ inverse problems for fractional differential equations involving a Djrbashian–Caputo fractional derivative in either time or space, which represent the fractional analogues of that for classical integral order differential equations. We discuss four inverse problems, i.e., backward fractional diffusion, sideways problem, inverse source problem and inverse potential problem for time fractional diffusion, and inverse Sturm–Liouville problem, Cauchy problem, backward fractional diffusion and sideways problem for space fractional diffusion. It is found that contrary to the wide belief, the influence of anomalous diffusion on the degree of ill-posedness is not definitive: it can either significantly improve or worsen the conditioning

Anomalous diffusion in the evolution of soccer championship scores: Real data, mean-field analysis, and an agent-based model

Science.gov (United States)

da Silva, Roberto; Vainstein, Mendeli H.; Gonçalves, Sebastián; Paula, Felipe S. F.

2013-08-01

Statistics of soccer tournament scores based on the double round robin system of several countries are studied. Exploring the dynamics of team scoring during tournament seasons from recent years we find evidences of superdiffusion. A mean-field analysis results in a drift velocity equal to that of real data but in a different diffusion coefficient. Along with the analysis of real data we present the results of simulations of soccer tournaments obtained by an agent-based model which successfully describes the final scoring distribution [da Silva , Comput. Phys. Commun.CPHCBZ0010-465510.1016/j.cpc.2012.10.030 184, 661 (2013)]. Such model yields random walks of scores over time with the same anomalous diffusion as observed in real data.

Molecular Dynamics Simulation of Salt Diffusion in Polyelectrolyte Assemblies.

Science.gov (United States)

Zhang, Ran; Duan, Xiaozheng; Ding, Mingming; Shi, Tongfei

2018-06-05

The diffusion of salt ions and charged probe molecules in polyelectrolyte assemblies is often assumed to follow a theoretical hopping model, in which the diffusing ion is hopping between charged sites of chains based on electroneutrality. However, experimental verification of diffusing pathway at such microscales is difficult, and the corresponding molecular mechanisms remain elusive. In this study, we perform all-atom molecular dynamics (MD) simulations of salt diffusion in polyelectrolyte (PE) assembly of poly (sodium 4-styrenesulfonate) (PSS) and poly (diallyldimethylammonium chloride) (PDAC). Besides the ion hopping mode, the diffusing trajectories are found presenting common features of a jump process, i.e., subjecting to PE relaxation, water pockets in the structure open and close, thus the ion can move from one pocket to another. Anomalous subdiffusion of ions and water is observed due to the trapping scenarios in these water pockets. The jump events are much rarer compared with ion hopping but significantly increases salt diffusion with increasing temperature. Our result strongly indicates that salt diffusion in hydrated PDAC/PSS is a combined process of ion hopping and jump motion. This provides new molecular explanation for the coupling of salt motion with chain motion and the nonlinear increase of salt diffusion at glass transition temperature.

ION ACOUSTIC TURBULENCE, ANOMALOUS TRANSPORT, AND SYSTEM DYNAMICS IN HALL EFFECT THRUSTERS

Science.gov (United States)

2017-06-30

NUMBER (Include area code) 30 June 2017 Briefing Charts 26 May 2017 - 30 June 2017 ION ACOUSTIC TURBULENCE, ANOMALOUS TRANSPORT, AND SYSTEM DYNAMICS ...Robert Martin N/A ION ACOUSTIC TURBULENCE, ANOMALOUS TRANSPORT, AND SYSTEM DYNAMICS IN HALL EFFECT THRUSTERS Robert Martin1, Jonathan Tran2 1AIR FORCE...Approved for Public Release; Distribution is Unlimited. PA# 17394 1 / 13 OUTLINE 1 INTRODUCTION 2 TRANSPORT 3 DYNAMIC SYSTEM 4 SUMMARY AND CONCLUSION

Anomalous diffusion and q-Weibull velocity distributions in epithelial cell migration.

Directory of Open Access Journals (Sweden)

Tatiane Souza Vilela Podestá

Full Text Available In multicellular organisms, cell motility is central in all morphogenetic processes, tissue maintenance, wound healing and immune surveillance. Hence, the control of cell motion is a major demand in the creation of artificial tissues and organs. Here, cell migration assays on plastic 2D surfaces involving normal (MDCK and tumoral (B16F10 epithelial cell lines were performed varying the initial density of plated cells. Through time-lapse microscopy quantities such as speed distributions, velocity autocorrelations and spatial correlations, as well as the scaling of mean-squared displacements were determined. We find that these cells exhibit anomalous diffusion with q-Weibull speed distributions that evolves non-monotonically to a Maxwellian distribution as the initial density of plated cells increases. Although short-ranged spatial velocity correlations mark the formation of small cell clusters, the emergence of collective motion was not observed. Finally, simulational results from a correlated random walk and the Vicsek model of collective dynamics evidence that fluctuations in cell velocity orientations are sufficient to produce q-Weibull speed distributions seen in our migration assays.

Simulations of anomalous ion diffusion in experimentally measured turbulent potential

Czech Academy of Sciences Publication Activity Database

Seidl, Jakub; Krlín, Ladislav; Pánek, Radomír; Pavlo, Pavol; Stöckel, Jan; Svoboda, V.

2009-01-01

Roč. 54, č. 2 (2009), s. 399-407 ISSN 1434-6060. [Symposium on Plasma Physics and Technology/23rd./. Prague, 16.06.2008-19.06.2008] R&D Projects: GA ČR GA202/07/0044; GA AV ČR IAA100430502 Institutional research plan: CEZ:AV0Z20430508 Keywords : plasma turbulence * Lévy-walk * anomalous diffusion * plasma impurities Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 1.420, year: 2009 http://www.springerlink.com/content/hn8041u48795847m/

A nonlinear Fokker-Planck equation approach for interacting systems: Anomalous diffusion and Tsallis statistics

Science.gov (United States)

Marin, D.; Ribeiro, M. A.; Ribeiro, H. V.; Lenzi, E. K.

2018-07-01

We investigate the solutions for a set of coupled nonlinear Fokker-Planck equations coupled by the diffusion coefficient in presence of external forces. The coupling by the diffusion coefficient implies that the diffusion of each species is influenced by the other and vice versa due to this term, which represents an interaction among them. The solutions for the stationary case are given in terms of the Tsallis distributions, when arbitrary external forces are considered. We also use the Tsallis distributions to obtain a time dependent solution for a linear external force. The results obtained from this analysis show a rich class of behavior related to anomalous diffusion, which can be characterized by compact or long-tailed distributions.

Anomalous dynamics of capillary rise in porous media

KAUST Repository

Shikhmurzaev, Yulii D.; Sprittles, James E.

2012-01-01

The anomalous dynamics of capillary rise in a porous medium discovered experimentally more than a decade ago is described. The developed theory is based on considering the principal modes of motion of the menisci that collectively form the wetting

Effect of anomalous resistivity on the dynamics of plasma switching

Energy Technology Data Exchange (ETDEWEB)

Kingsep, A [Kurchatov Institute, Moscow (Russian Federation); Munier, A [Centre d` Etudes Limeil-Vaneton, Villeneuve St. Georges (France)

1997-12-31

Some of the conditions for electron MHD are recollected, and it is shown how this leads to anomalous resistivity which may play an important role in the dynamics of POS. It has been shown that not only the order of value of the resistance of the plasma-filled diode but rather basic scalings have to be changed in the regime of essential anomalous resistivity. (author). 11 refs.

Trapped-ion anomalous diffusion coefficient on the basis of single mode saturation

International Nuclear Information System (INIS)

Koshi, Yuji; Hatayama, Akiyoshi; Ogasawara, Masatada.

1982-03-01

Expressions of the anomalous diffusion coefficient due to the dissipative trapped ion instability (DTII) are derived for the case with and without the effect of magnetic shear. Derivation is made by taking into account of the single mode saturation of the DTII previously obtained numerically. In the absence of the shear effect, the diffusion coefficient is proportional to #betta#sub(i)a 2 (#betta#sub(i) is the effective collision frequency of the trapped ions and a is the minor radius of a torus) and is much larger than the neoclassical ion heat conductivity. In the presence of the shear effect, the diffusion coefficient is much smaller than the Kadomtsev and Pogutse's value and is the same order of magnitude as the neoclassical ion heat conductivity. Dependences of the diffusion coefficient on the temperature and on the total particle number density are rather complicated due to the additional spectral cut-off, which is introduced to regularize the short wavelength modes in the numerical analysis. (author)

Investigating the interplay between mechanisms of anomalous diffusion via fractional Brownian walks on a comb-like structure

International Nuclear Information System (INIS)

Ribeiro, Haroldo V; Alves, Luiz G A; Zola, Rafael S; Lenzi, Ervin K; Tateishi, Angel A

2014-01-01

The comb model is a simplified description for anomalous diffusion under geometric constraints. It represents particles spreading out in a two-dimensional space where the motions in the x-direction are allowed only when the y coordinate of the particle is zero. Here, we propose an extension for the comb model via Langevin-like equations driven by fractional Gaussian noises (long-range correlated). By carrying out computer simulations, we show that the correlations in the y-direction affect the diffusive behavior in the x-direction in a non-trivial fashion, resulting in a quite rich diffusive scenario characterized by usual, superdiffusive or subdiffusive scaling of second moment in the x-direction. We further show that the long-range correlations affect the probability distribution of the particle positions in the x-direction, making their tails longer when noise in the y-direction is persistent and shorter for anti-persistent noise. Our model thus combines and allows the study/analysis of the interplay between different mechanisms of anomalous diffusion (geometric constraints and long-range correlations) and may find direct applications for describing diffusion in complex systems such as living cells. (paper)

Protein Crowding in Lipid Bilayers Gives Rise to Non-Gaussian Anomalous Lateral Diffusion of Phospholipids and Proteins

Czech Academy of Sciences Publication Activity Database

Jeon, J. H.; Javanainen, M.; Martinez-Seara, Hector; Metzler, R.; Vattulainen, I.

2016-01-01

Roč. 6, č. 2 (2016), č. článku 021006. ISSN 2160-3308 Institutional support: RVO:61388963 Keywords : protein crowding * membranes * simulations * diffusion * non-Gaussian anomalous diffusion Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 12.789, year: 2016 http://journals.aps.org/prx/abstract/10.1103/PhysRevX.6.021006

In vivo Anomalous Diffusion and Weak Ergodicity Breaking of Lipid Granules

DEFF Research Database (Denmark)

Jeon, J.-H.; Tejedor, V.; Burov, S.

2011-01-01

Combining extensive single particle tracking microscopy data of endogenous lipid granules in living fission yeast cells with analytical results we show evidence for anomalous diffusion and weak ergodicity breaking. Namely we demonstrate that at short times the granules perform subdiffusion...... according to the laws of continuous time random walk theory. The associated violation of ergodicity leads to a characteristic turnover between two scaling regimes of the time averaged mean squared displacement. At longer times the granule motion is consistent with fractional Brownian motion....

Renewal-anomalous-heterogeneous files

International Nuclear Information System (INIS)

Flomenbom, Ophir

2010-01-01

Renewal-anomalous-heterogeneous files are solved. A simple file is made of Brownian hard spheres that diffuse stochastically in an effective 1D channel. Generally, Brownian files are heterogeneous: the spheres' diffusion coefficients are distributed and the initial spheres' density is non-uniform. In renewal-anomalous files, the distribution of waiting times for individual jumps is not exponential as in Brownian files, yet obeys: ψ α (t)∼t -1-α , 0 2 >, obeys, 2 >∼ 2 > nrml α , where 2 > nrml is the MSD in the corresponding Brownian file. This scaling is an outcome of an exact relation (derived here) connecting probability density functions of Brownian files and renewal-anomalous files. It is also shown that non-renewal-anomalous files are slower than the corresponding renewal ones.

Anomalous spreading of a density front from an infinite continuous source in a concentration-dependent lattice gas automaton diffusion model

CERN Document Server

Kuentz, M

2003-01-01

A two-dimensional lattice gas automaton (LGA) is used for simulating concentration-dependent diffusion in a microscopically random heterogeneous structure. The heterogeneous medium is initialized at a low density rho sub 0 and then submitted to a steep concentration gradient by continuous injection of particles at a concentration rho sub 1 >rho sub 0 from a one-dimensional source to model spreading of a density front. Whereas the nonlinear diffusion equation generally used to describe concentration-dependent diffusion processes predicts a scaling law of the type phi = xt sup - sup 1 sup / sup 2 in one dimension, the spreading process is shown to deviate from the expected t sup 1 sup / sup 2 scaling. The time exponent is found to be larger than 1/2, i.e. diffusion of the density front is enhanced with respect to standard Fickian diffusion. It is also established that the anomalous time exponent decreases as time elapses: anomalous spreading is thus not a timescaling process. We demonstrate that occurrence of a...

Modeling of 1D Anomalous Diffusion in Fractured Nanoporous Media

Directory of Open Access Journals (Sweden)

Albinali Ali

2016-07-01

Full Text Available Fractured nanoporous reservoirs include multi-scale and discontinuous fractures coupled with a complex nanoporous matrix. Such systems cannot be described by the conventional dual-porosity (or multi-porosity idealizations due to the presence of different flow mechanisms at multiple scales. More detailed modeling approaches, such as Discrete Fracture Network (DFN models, similarly suffer from the extensive data requirements dictated by the intricacy of the flow scales, which eventually deter the utility of these models. This paper discusses the utility and construction of 1D analytical and numerical anomalous diffusion models for heterogeneous, nanoporous media, which is commonly encountered in oil and gas production from tight, unconventional reservoirs with fractured horizontal wells. A fractional form of Darcy’s law, which incorporates the non-local and hereditary nature of flow, is coupled with the classical mass conservation equation to derive a fractional diffusion equation in space and time. Results show excellent agreement with established solutions under asymptotic conditions and are consistent with the physical intuitions.

Fractional single-phase-lagging heat conduction model for describing anomalous diffusion

Directory of Open Access Journals (Sweden)

T.N. Mishra

2016-03-01

Full Text Available The fractional single-phase-lagging (FSPL heat conduction model is obtained by combining scalar time fractional conservation equation to the single-phase-lagging (SPL heat conduction model. Based on the FSPL heat conduction model, anomalous diffusion within a finite thin film is investigated. The effect of different parameters on solution has been observed and studied the asymptotic behavior of the FSPL model. The analytical solution is obtained using Laplace transform method. The whole analysis is presented in dimensionless form. Numerical examples of particular interest have been studied and discussed in details.

Divergent series and memory of the initial condition in the long-time solution of some anomalous diffusion problems.

Science.gov (United States)

Yuste, S Bravo; Borrego, R; Abad, E

2010-02-01

We consider various anomalous d -dimensional diffusion problems in the presence of an absorbing boundary with radial symmetry. The motion of particles is described by a fractional diffusion equation. Their mean-square displacement is given by r(2) proportional, variant t(gamma)(0divergent series appear when the concentration or survival probabilities are evaluated via the method of separation of variables. While the solution for normal diffusion problems is, at most, divergent as t-->0 , the emergence of such series in the long-time domain is a specific feature of subdiffusion problems. We present a method to regularize such series, and, in some cases, validate the procedure by using alternative techniques (Laplace transform method and numerical simulations). In the normal diffusion case, we find that the signature of the initial condition on the approach to the steady state rapidly fades away and the solution approaches a single (the main) decay mode in the long-time regime. In remarkable contrast, long-time memory of the initial condition is present in the subdiffusive case as the spatial part Psi1(r) describing the long-time decay of the solution to the steady state is determined by a weighted superposition of all spatial modes characteristic of the normal diffusion problem, the weight being dependent on the initial condition. Interestingly, Psi1(r) turns out to be independent of the anomalous diffusion exponent gamma .

Non-Brownian diffusion in lipid membranes: Experiments and simulations.

Science.gov (United States)

Metzler, R; Jeon, J-H; Cherstvy, A G

2016-10-01

The dynamics of constituents and the surface response of cellular membranes-also in connection to the binding of various particles and macromolecules to the membrane-are still a matter of controversy in the membrane biophysics community, particularly with respect to crowded membranes of living biological cells. We here put into perspective recent single particle tracking experiments in the plasma membranes of living cells and supercomputing studies of lipid bilayer model membranes with and without protein crowding. Special emphasis is put on the observation of anomalous, non-Brownian diffusion of both lipid molecules and proteins embedded in the lipid bilayer. While single component, pure lipid bilayers in simulations exhibit only transient anomalous diffusion of lipid molecules on nanosecond time scales, the persistence of anomalous diffusion becomes significantly longer ranged on the addition of disorder-through the addition of cholesterol or proteins-and on passing of the membrane lipids to the gel phase. Concurrently, experiments demonstrate the anomalous diffusion of membrane embedded proteins up to macroscopic time scales in the minute time range. Particular emphasis will be put on the physical character of the anomalous diffusion, in particular, the occurrence of ageing observed in the experiments-the effective diffusivity of the measured particles is a decreasing function of time. Moreover, we present results for the time dependent local scaling exponent of the mean squared displacement of the monitored particles. Recent results finding deviations from the commonly assumed Gaussian diffusion patterns in protein crowded membranes are reported. The properties of the displacement autocorrelation function of the lipid molecules are discussed in the light of their appropriate physical anomalous diffusion models, both for non-crowded and crowded membranes. In the last part of this review we address the upcoming field of membrane distortion by elongated membrane

A new fractional operator of variable order: Application in the description of anomalous diffusion

Science.gov (United States)

Yang, Xiao-Jun; Machado, J. A. Tenreiro

2017-09-01

In this paper, a new fractional operator of variable order with the use of the monotonic increasing function is proposed in sense of Caputo type. The properties in term of the Laplace and Fourier transforms are analyzed and the results for the anomalous diffusion equations of variable order are discussed. The new formulation is efficient in modeling a class of concentrations in the complex transport process.

Unfair and Anomalous Evolutionary Dynamics from Fluctuating Payoffs

Science.gov (United States)

Stollmeier, Frank; Nagler, Jan

2018-02-01

Evolution occurs in populations of reproducing individuals. Reproduction depends on the payoff a strategy receives. The payoff depends on the environment that may change over time, on intrinsic uncertainties, and on other sources of randomness. These temporal variations in the payoffs can affect which traits evolve. Understanding evolutionary game dynamics that are affected by varying payoffs remains difficult. Here we study the impact of arbitrary amplitudes and covariances of temporally varying payoffs on the dynamics. The evolutionary dynamics may be "unfair," meaning that, on average, two coexisting strategies may persistently receive different payoffs. This mechanism can induce an anomalous coexistence of cooperators and defectors in the prisoner's dilemma, and an unexpected selection reversal in the hawk-dove game.

Diffusive and subdiffusive dynamics of indoor microclimate: a time series modeling.

Science.gov (United States)

Maciejewska, Monika; Szczurek, Andrzej; Sikora, Grzegorz; Wyłomańska, Agnieszka

2012-09-01

The indoor microclimate is an issue in modern society, where people spend about 90% of their time indoors. Temperature and relative humidity are commonly used for its evaluation. In this context, the two parameters are usually considered as behaving in the same manner, just inversely correlated. This opinion comes from observation of the deterministic components of temperature and humidity time series. We focus on the dynamics and the dependency structure of the time series of these parameters, without deterministic components. Here we apply the mean square displacement, the autoregressive integrated moving average (ARIMA), and the methodology for studying anomalous diffusion. The analyzed data originated from five monitoring locations inside a modern office building, covering a period of nearly one week. It was found that the temperature data exhibited a transition between diffusive and subdiffusive behavior, when the building occupancy pattern changed from the weekday to the weekend pattern. At the same time the relative humidity consistently showed diffusive character. Also the structures of the dependencies of the temperature and humidity data sets were different, as shown by the different structures of the ARIMA models which were found appropriate. In the space domain, the dynamics and dependency structure of the particular parameter were preserved. This work proposes an approach to describe the very complex conditions of indoor air and it contributes to the improvement of the representative character of microclimate monitoring.

Anomalous behaviour of thermophysical properties of stoichiometric uranium dioxide by molecular dynamics simulation

International Nuclear Information System (INIS)

Lunev, A.V.; Tarasov, B.A.; Nazarov, A.V.

2011-01-01

We present a classical molecular dynamics simulation of uranium dioxide in the temperature range of 300-3000 K. Temperature dependences of thermal conductivity, heat capacity and ionic conductivity are investigated. Our study shows the rise of thermal conductivity of uranium dioxide at very high temperatures (above 2500 K), which is not predicted by the former anharmonic theories. Several pair potentials are used in the simulation, and they depict similar effects. Long range forces are accounted by Ewald sums. Static thermal properties are evaluated in NPT ensemble. It is shown that a high-temperature peak on heat capacity is present and is more legible in large systems. To ensure the best reliability, transport properties are evaluated using the theory of autocorrelation functions in NVE ensemble. In order to properly define thermal conductivity in ionic systems with charge fluxes, an expression which accounts the thermoelectric effect is derived from Onsager reciprocal relations. The rise on temperature dependence of thermal conductivity is accompanied by the peak on heat capacity and an anomalous rise of ionic conductivity. However, it is shown that there is no partial melting of the oxygen sublattice, which suggests that the system does not necessarily exhibit a superionic transition. Instead, kick-out diffusion in oxygen sublattice is proposed to be the origin of such anomalous behavior of thermophysical properties. (author)

Extended diffusion weighted magnetic resonance imaging with two-compartment and anomalous diffusion models for differentiation of low-grade and high-grade brain tumors in pediatric patients

Energy Technology Data Exchange (ETDEWEB)

Burrowes, Delilah; Deng, Jie [Ann and Robert H. Lurie Children' s Hospital of Chicago, Department of Medical Imaging, Chicago, IL (United States); Northwestern University, Feinberg School of Medicine, Department of Radiology, Chicago, IL (United States); Fangusaro, Jason R. [Ann and Robert H. Lurie Children' s Hospital of Chicago, Department of Hematology/Oncology, Chicago, IL (United States); Northwestern University, Feinberg School of Medicine, Department of Pediatrics-Hematology, Oncology, and Stem Cell Transplantation, Chicago, IL (United States); Nelson, Paige C.; Rozenfeld, Michael J. [Ann and Robert H. Lurie Children' s Hospital of Chicago, Department of Medical Imaging, Chicago, IL (United States); Zhang, Bin [Cincinnati Children' s Hospital Medical Center, Department of Biostatistics and Epidemiology, Cincinnati, OH (United States); Wadhwani, Nitin R. [Ann and Robert H. Lurie Children' s Hospital of Chicago, Department of Pathology and Laboratory Medicine, Chicago, IL (United States); Northwestern University, Feinberg School of Medicine, Department of Pathology, Chicago, IL (United States)

2017-08-15

The purpose of this study was to examine advanced diffusion-weighted magnetic resonance imaging (DW-MRI) models for differentiation of low- and high-grade tumors in the diagnosis of pediatric brain neoplasms. Sixty-two pediatric patients with various types and grades of brain tumors were evaluated in a retrospective study. Tumor type and grade were classified using the World Health Organization classification (WHO I-IV) and confirmed by pathological analysis. Patients underwent DW-MRI before treatment. Diffusion-weighted images with 16 b-values (0-3500 s/mm{sup 2}) were acquired. Averaged signal intensity decay within solid tumor regions was fitted using two-compartment and anomalous diffusion models. Intracellular and extracellular diffusion coefficients (D{sub slow} and D{sub fast}), fractional volumes (V{sub slow} and V{sub fast}), generalized diffusion coefficient (D), spatial constant (μ), heterogeneity index (β), and a diffusion index (index{sub d}iff = μ x V{sub slow}/β) were calculated. Multivariate logistic regression models with stepwise model selection algorithm and receiver operating characteristic (ROC) analyses were performed to evaluate the ability of each diffusion parameter to distinguish tumor grade. Among all parameter combinations, D and index{sub d}iff jointly provided the best predictor for tumor grades, where lower D (p = 0.03) and higher index{sub d}iff (p = 0.009) were significantly associated with higher tumor grades. In ROC analyses of differentiating low-grade (I-II) and high-grade (III-IV) tumors, index{sub d}iff provided the highest specificity of 0.97 and D provided the highest sensitivity of 0.96. Multi-parametric diffusion measurements using two-compartment and anomalous diffusion models were found to be significant discriminants of tumor grading in pediatric brain neoplasms. (orig.)

Anomalous relaxation in binary mixtures: a dynamic facilitation picture

International Nuclear Information System (INIS)

Moreno, A J; Colmenero, J

2007-01-01

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

Jigsaw puzzle metasurface for multiple functions: polarization conversion, anomalous reflection and diffusion.

Science.gov (United States)

Zhao, Yi; Cao, Xiangyu; Gao, Jun; Liu, Xiao; Li, Sijia

2016-05-16

We demonstrate a simple reconfigurable metasurface with multiple functions. Anisotropic tiles are investigated and manufactured as fundamental elements. Then, the tiles are combined in a certain sequence to construct a metasurface. Each of the tiles can be adjusted independently which is like a jigsaw puzzle and the whole metasurface can achieve diverse functions by different layouts. For demonstration purposes, we realize polarization conversion, anomalous reflection and diffusion by a jigsaw puzzle metasurface with 6 × 6 pieces of anisotropic tile. Simulated and measured results prove that our method offers a simple and effective strategy for metasurface design.

Hydrodynamic theory of convective transport across a dynamically stabilized diffuse boundary layer

International Nuclear Information System (INIS)

Gerhauser, H.

1983-09-01

The diffuse boundary layer between miscible liquids is subject to Rayleigh-Taylor instabilities if the heavy fluid is supported by the light one. The resulting rapid interchange of the liquids can be suppressed by enforcing vertical oscillations on the whole system. This dynamic stabilization is incomplete and produces some peculiar novel transport phenomena such as decay off the density profile into several steps, periodic peeling of density sheets of the boundary layer and the appearance of steady vortex flow. The theory presented in this paper identifies the basic mechanism as formation of convective cells leading to enhanced diffusion, and explains previous experimental results with water and ZnJ 2 -solutions. A nonlinear treatment of the stationary convective flow problem gives the saturation amplitude of the ground mode and provides an upper bound for the maximum convective transport. The hydrodynamic model can be used for visualizing similar transport processes in the plasma of toroidal confinement devices such as sawtooth oscillations in soft disruptions of tokamak discharges and anomalous diffusion by excitation of convective cells. The latter process is investigated here in some detail, leading to the result that the maximum possible transport is of the order of Bohm diffusion. (orig.)

Anomalous transport of charged dust grains in a magnetized collisional plasma: A molecular dynamics study

Science.gov (United States)

Bezbaruah, Pratikshya; Das, Nilakshi

2018-05-01

Anomalous diffusion of charged dust grains immersed in a plasma in the presence of strong ion-neutral collision, flowing ions, and a magnetic field has been observed. Molecular Dynamics simulation confirms the deviation from normal diffusion in an ensemble of dust grains probed in laboratory plasma chambers. Collisional effects are significant in governing the nature of diffusion. In order to have a clear idea on the transport of particles in a real experimental situation, the contribution of streaming ions and the magnetic field along with collision is considered through the relevant interaction potential. The nonlinear evolution of Mean Square Displacement is an indication of the modification in particle trajectories due to several effects as mentioned above. It is found that strong collision and ion flow significantly affect the interparticle interaction potential in the presence of the magnetic field and lead to the appearance of the asymmetric type of Debye Hückel (D H) potential. Due to the combined effect of the magnetic field, ion flow, and collision, dusty plasma exhibits a completely novel behavior. The coupling parameter Γ enhances the asymmetric D H type potential arising due to ion flow, and this may drive the system to a disordered state.

'Complexity' and anomalous transport in space plasmas

International Nuclear Information System (INIS)

Chang, Tom; Wu Chengchin

2002-01-01

'Complexity' has become a hot topic in nearly every field of modern physics. Space plasma is of no exception. In this paper, it is demonstrated that the sporadic and localized interactions of magnetic coherent structures are the origin of 'complexity' in space plasmas. The intermittent localized interactions, which generate the anomalous diffusion, transport, and evolution of the macroscopic state variables of the overall dynamical system, may be modeled by a triggered (fast) localized chaotic growth equation of a set of relevant order parameters. Such processes would generally pave the way for the global system to evolve into a 'complex' state of long-ranged interactions of fluctuations, displaying the phenomenon of forced and/or self-organized criticality. An example of such type of anomalous transport and evolution in a sheared magnetic field is provided via two-dimensional magnetohydrodynamic simulations. The coarse-grained dissipation due to the intermittent triggered interactions among the magnetic coherent structures induces a 'fluctuation-induced nonlinear instability' that reconfigures the sheared magnetic field into an X-point magnetic geometry (in the mean field sense), leading to the anomalous acceleration of the magnetic coherent structures. A phenomenon akin to such type of anomalous transport and acceleration, the so-called bursty bulk flows, has been commonly observed in the plasma sheet of the Earth's magnetotail

Dynamic correlation of photo-excited electrons: Anomalous levels induced by light–matter coupling

Energy Technology Data Exchange (ETDEWEB)

Jiang, Xiankai [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China); Song, Bo, E-mail: bosong@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China)

2014-04-01

Nonlinear light–matter coupling plays an important role in many aspects of modern physics, such as spectroscopy, photo-induced phase transition, light-based devices, light-harvesting systems, light-directed reactions and bio-detection. However, excited states of electrons are still unclear for nano-structures and molecules in a light field. Our studies unexpectedly present that light can induce anomalous levels in the electronic structure of a donor–acceptor nanostructure with the help of the photo-excited electrons transferring dynamically between the donor and the acceptor. Furthermore, the physics underlying is revealed to be the photo-induced dynamical spin–flip correlation among electrons. These anomalous levels can significantly enhance the electron current through the nanostructure. These findings are expected to contribute greatly to the understanding of the photo-excited electrons with dynamic correlations, which provides a push to the development and application of techniques based on photosensitive molecules and nanostructures, such as light-triggered molecular devices, spectroscopic analysis, bio-molecule detection, and systems for solar energy conversion.

Continuous-time random-walk model for anomalous diffusion in expanding media

Science.gov (United States)

Le Vot, F.; Abad, E.; Yuste, S. B.

2017-09-01

Expanding media are typical in many different fields, e.g., in biology and cosmology. In general, a medium expansion (contraction) brings about dramatic changes in the behavior of diffusive transport properties such as the set of positional moments and the Green's function. Here, we focus on the characterization of such effects when the diffusion process is described by the continuous-time random-walk (CTRW) model. As is well known, when the medium is static this model yields anomalous diffusion for a proper choice of the probability density function (pdf) for the jump length and the waiting time, but the behavior may change drastically if a medium expansion is superimposed on the intrinsic random motion of the diffusing particle. For the case where the jump length and the waiting time pdfs are long-tailed, we derive a general bifractional diffusion equation which reduces to a normal diffusion equation in the appropriate limit. We then study some particular cases of interest, including Lévy flights and subdiffusive CTRWs. In the former case, we find an analytical exact solution for the Green's function (propagator). When the expansion is sufficiently fast, the contribution of the diffusive transport becomes irrelevant at long times and the propagator tends to a stationary profile in the comoving reference frame. In contrast, for a contracting medium a competition between the spreading effect of diffusion and the concentrating effect of contraction arises. In the specific case of a subdiffusive CTRW in an exponentially contracting medium, the latter effect prevails for sufficiently long times, and all the particles are eventually localized at a single point in physical space. This "big crunch" effect, totally absent in the case of normal diffusion, stems from inefficient particle spreading due to subdiffusion. We also derive a hierarchy of differential equations for the moments of the transport process described by the subdiffusive CTRW model in an expanding medium

Continuous-time random-walk model for anomalous diffusion in expanding media.

Science.gov (United States)

Le Vot, F; Abad, E; Yuste, S B

2017-09-01

Expanding media are typical in many different fields, e.g., in biology and cosmology. In general, a medium expansion (contraction) brings about dramatic changes in the behavior of diffusive transport properties such as the set of positional moments and the Green's function. Here, we focus on the characterization of such effects when the diffusion process is described by the continuous-time random-walk (CTRW) model. As is well known, when the medium is static this model yields anomalous diffusion for a proper choice of the probability density function (pdf) for the jump length and the waiting time, but the behavior may change drastically if a medium expansion is superimposed on the intrinsic random motion of the diffusing particle. For the case where the jump length and the waiting time pdfs are long-tailed, we derive a general bifractional diffusion equation which reduces to a normal diffusion equation in the appropriate limit. We then study some particular cases of interest, including Lévy flights and subdiffusive CTRWs. In the former case, we find an analytical exact solution for the Green's function (propagator). When the expansion is sufficiently fast, the contribution of the diffusive transport becomes irrelevant at long times and the propagator tends to a stationary profile in the comoving reference frame. In contrast, for a contracting medium a competition between the spreading effect of diffusion and the concentrating effect of contraction arises. In the specific case of a subdiffusive CTRW in an exponentially contracting medium, the latter effect prevails for sufficiently long times, and all the particles are eventually localized at a single point in physical space. This "big crunch" effect, totally absent in the case of normal diffusion, stems from inefficient particle spreading due to subdiffusion. We also derive a hierarchy of differential equations for the moments of the transport process described by the subdiffusive CTRW model in an expanding medium

Anomalous dynamics of capillary rise in porous media

KAUST Repository

Shikhmurzaev, Yulii D.

2012-07-09

The anomalous dynamics of capillary rise in a porous medium discovered experimentally more than a decade ago is described. The developed theory is based on considering the principal modes of motion of the menisci that collectively form the wetting front on the Darcy scale. These modes, which include (i) dynamic wetting mode, (ii) threshold mode, and (iii) interface depinning process, are incorporated into the boundary conditions for the bulk equations formulated in the regular framework of continuum mechanics of porous media, thus allowing one to consider a general case of three-dimensional flows. The developed theory makes it possible to describe all regimes observed in the experiment, with the time spanning more than four orders of magnitude, and highlights the dominant physical mechanisms at different stages of the process. © 2012 American Physical Society.

Theoretical analysis of turbulent transport through the diffuse boundary layer in the dynamic stabilization of superimposed miscible liquids

International Nuclear Information System (INIS)

Gerhauser, H.

1980-02-01

Two superimposed miscible liquids are separated by a diffuse boundary layer providing a steady transition of density. If the heavy fluid is on top of the light one, Rayleigh-Taylor-instabilities develop and cause a rapid interchange and eventually an intermixing. This process can be subjected to dynamic stabilization by enforcing vertical oscillations upon the whole system. However, since only part of the unstable mode spectrum is completely stabilized, the remaining weakly unstable modes lead to turbulent transport processes through the boundary layer ('anomalous diffusion'), so that only a quasistationary equilibrium is achieved. In the present paper, previous experimental results on the dynamic stabilization of water superimposed by an aqueous ZnJ-solution are theoretically interpreted, and the observed spatial structure as well as the time development of the density profiles are explained. There exists an analogy between these phenomena and turbulent transport processes in tokamak discharges such as the sawtooth oscillations of internal disruptions. (orig.) [de

Inference of protein diffusion probed via fluorescence correlation spectroscopy

Science.gov (United States)

Tsekouras, Konstantinos

2015-03-01

Fluctuations are an inherent part of single molecule or few particle biophysical data sets. Traditionally, ``noise'' fluctuations have been viewed as a nuisance, to be eliminated or minimized. Here we look on how statistical inference methods - that take explicit advantage of fluctuations - have allowed us to draw an unexpected picture of single molecule diffusional dynamics. Our focus is on the diffusion of proteins probed using fluorescence correlation spectroscopy (FCS). First, we discuss how - in collaboration with the Bustamante and Marqusee labs at UC Berkeley - we determined using FCS data that individual enzymes are perturbed by self-generated catalytic heat (Riedel et al, Nature, 2014). Using the tools of inference, we found how distributions of enzyme diffusion coefficients shift in the presence of substrate revealing that enzymes performing highly exothermic reactions dissipate heat by transiently accelerating their center of mass following a catalytic reaction. Next, when molecules diffuse in the cell nucleus they often appear to diffuse anomalously. We analyze FCS data - in collaboration with Rich Day at the IU Med School - to propose a simple model for transcription factor binding-unbinding in the nucleus to show that it may give rise to apparent anomalous diffusion. Here inference methods extract entire binding affinity distributions for the diffusing transcription factors, allowing us to precisely characterize their interactions with different components of the nuclear environment. From this analysis, we draw key mechanistic insight that goes beyond what is possible by simply fitting data to ``anomalous diffusion'' models.

Guidelines for the fitting of anomalous diffusion mean square displacement graphs from single particle tracking experiments.

Directory of Open Access Journals (Sweden)

Eldad Kepten

Full Text Available Single particle tracking is an essential tool in the study of complex systems and biophysics and it is commonly analyzed by the time-averaged mean square displacement (MSD of the diffusive trajectories. However, past work has shown that MSDs are susceptible to significant errors and biases, preventing the comparison and assessment of experimental studies. Here, we attempt to extract practical guidelines for the estimation of anomalous time averaged MSDs through the simulation of multiple scenarios with fractional Brownian motion as a representative of a large class of fractional ergodic processes. We extract the precision and accuracy of the fitted MSD for various anomalous exponents and measurement errors with respect to measurement length and maximum time lags. Based on the calculated precision maps, we present guidelines to improve accuracy in single particle studies. Importantly, we find that in some experimental conditions, the time averaged MSD should not be used as an estimator.

Anomalous behavior of the diffusion coefficient in thin active films

International Nuclear Information System (INIS)

Basu, Abhik; Joanny, Jean-Francois; Prost, Jacques; Jülicher, Frank

2012-01-01

Inspired by recent experiments in cell biology, we elucidate the visco-elastic properties of an active gel by studying the dynamics of a small tracer particle inside it. In a stochastic hydrodynamic approach for an active gel of finite thickness L, we calculate the mean square displacement of a particle. These particle displacements are governed by fluctuations in the velocity field. We characterize the short-time behavior when the gel is a solid as well as the limit of long times when the gel becomes a fluid and the particle shows simple diffusion. Active stresses together with local polar order give rise to velocity fluctuations that lead to characteristic behaviors of the diffusion coefficient that differ fundamentally from those found in a passive system: the diffusion coefficient can depend on system size and diverges as L approaches an instability threshold. Furthermore, the diffusion coefficient becomes independent of the particle size in this case. (paper)

Non-equilibrium dynamics in disordered materials: Ab initio molecular dynamics simulations

International Nuclear Information System (INIS)

Ohmura, Satoshi; Nagaya, Kiyonobu; Yao, Makoto; Shimojo, Fuyuki

2015-01-01

The dynamic properties of liquid B 2 O 3 under pressure and highly-charged bromophenol molecule are studied by using molecular dynamics (MD) simulations based on density functional theory (DFT). Diffusion properties of covalent liquids under high pressure are very interesting in the sense that they show unexpected pressure dependence. It is found from our simulation that the magnitude relation of diffusion coefficients for boron and oxygen in liquid B 2 O 3 shows the anomalous pressure dependence. The simulation clarified the microscopic origin of the anomalous diffusion properties. Our simulation also reveals the dissociation mechanism in the coulomb explosion of the highly-charged bromophenol molecule. When the charge state n is 6, hydrogen atom in the hydroxyl group dissociates at times shorter than 20 fs while all hydrogen atoms dissociate when n is 8. After the hydrogen dissociation, the carbon ring breaks at about 100 fs. There is also a difference on the mechanism of the ring breaking depending on charge states, in which the ring breaks with expanding (n = 6) or shrink (n = 8)

Spin-diffusions and diffusive molecular dynamics

Science.gov (United States)

Farmer, Brittan; Luskin, Mitchell; Plecháč, Petr; Simpson, Gideon

2017-12-01

Metastable configurations in condensed matter typically fluctuate about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of classical molecular dynamics (MD) methods and has spurned the development of a host of approximate algorithms. One recently proposed method is diffusive MD which aims at integrating a system of ordinary differential equations describing the likelihood of occupancy by one of two species, in the case of a binary alloy, while quasistatically evolving the locations of the atoms. While diffusive MD has shown itself to be efficient and provide agreement with observations, it is fundamentally a model, with unclear connections to classical MD. In this work, we formulate a spin-diffusion stochastic process and show how it can be connected to diffusive MD. The spin-diffusion model couples a classical overdamped Langevin equation to a kinetic Monte Carlo model for exchange amongst the species of a binary alloy. Under suitable assumptions and approximations, spin-diffusion can be shown to lead to diffusive MD type models. The key assumptions and approximations include a well-defined time scale separation, a choice of spin-exchange rates, a low temperature approximation, and a mean field type approximation. We derive several models from different assumptions and show their relationship to diffusive MD. Differences and similarities amongst the models are explored in a simple test problem.

Probing the surface swelling in ultra-thin supported polystyrene films during case II diffusion of n-hexane

NARCIS (Netherlands)

Ogieglo, Wojciech; Wormeester, Herbert; Wessling, Matthias; Benes, Nieck Edwin

2013-01-01

In situ time-resolved spectroscopic ellipsometry is used to study the dynamics of n-hexane diffusion into, and the corresponding induced swelling of, ultra-thin polystyrene films. The experimental conditions are carefully selected to facilitate the observation of anomalous Case II diffusion in the

Solutions for a non-Markovian diffusion equation

International Nuclear Information System (INIS)

Lenzi, E.K.; Evangelista, L.R.; Lenzi, M.K.; Ribeiro, H.V.; Oliveira, E.C. de

2010-01-01

Solutions for a non-Markovian diffusion equation are investigated. For this equation, we consider a spatial and time dependent diffusion coefficient and the presence of an absorbent term. The solutions exhibit an anomalous behavior which may be related to the solutions of fractional diffusion equations and anomalous diffusion.

Anomalous magnetohydrodynamics in the extreme relativistic domain

CERN Document Server

Giovannini, Massimo

2016-01-01

The evolution equations of anomalous magnetohydrodynamics are derived in the extreme relativistic regime and contrasted with the treatment of hydromagnetic nonlinearities pioneered by Lichnerowicz in the absence of anomalous currents. In particular we explore the situation where the conventional vector currents are complemented by the axial-vector currents arising either from the pseudo Nambu-Goldstone bosons of a spontaneously broken symmetry or because of finite fermionic density effects. After expanding the generally covariant equations in inverse powers of the conductivity, the relativistic analog of the magnetic diffusivity equation is derived in the presence of vortical and magnetic currents. While the anomalous contributions are generally suppressed by the diffusivity, they are shown to disappear in the perfectly conducting limit. When the flow is irrotational, boost-invariant and with vanishing four-acceleration the corresponding evolution equations are explicitly integrated so that the various physic...

Anomalous convection diffusion and wave coupling transport of cells on comb frame with fractional Cattaneo-Christov flux

Science.gov (United States)

Liu, Lin; Zheng, Liancun; Liu, Fawang; Zhang, Xinxin

2016-09-01

An improved Cattaneo-Christov flux model is proposed which can be used to capture the effects of the time and spatial relaxations, the time and spatial inhomogeneous diffusion and the spatial transition probability of cell transport in a highly non-homogeneous medium. Solutions are obtained by numerical discretization method where the time and spatial fractional derivative are discretized by the L1-approximation and shifted Grünwald definition, respectively. The solvability, stability and convergence of the numerical method for the special case of the Cattaneo-Christov equation are proved. Results indicate that the fractional convection diffusion-wave equation is an evolution equation which displays the coexisting characteristics of parabolicity and hyperbolicity. In other words, for α in (0, 1), the cells transport occupies the characteristics of coupling convection diffusion and wave spreading. Moreover, the effects of pertinent time parameter, time and spatial fractional derivative parameters, relaxation parameter, weight coefficient and the convection velocity on the anomalous transport of cells are shown graphically and analyzed in detail.

Diffusion in randomly perturbed dissipative dynamics

Science.gov (United States)

Rodrigues, Christian S.; Chechkin, Aleksei V.; de Moura, Alessandro P. S.; Grebogi, Celso; Klages, Rainer

2014-11-01

Dynamical systems having many coexisting attractors present interesting properties from both fundamental theoretical and modelling points of view. When such dynamics is under bounded random perturbations, the basins of attraction are no longer invariant and there is the possibility of transport among them. Here we introduce a basic theoretical setting which enables us to study this hopping process from the perspective of anomalous transport using the concept of a random dynamical system with holes. We apply it to a simple model by investigating the role of hyperbolicity for the transport among basins. We show numerically that our system exhibits non-Gaussian position distributions, power-law escape times, and subdiffusion. Our simulation results are reproduced consistently from stochastic continuous time random walk theory.

Modelling of cation displacements in SrTiO.sub.3./sub. by means of multi-energy anomalous X-ray diffuse scattering

Czech Academy of Sciences Publication Activity Database

Kopecký, Miloš; Fábry, Jan; Kub, Jiří

2016-01-01

Roč. 49, Jun (2016), 1016-1020 ISSN 1600-5767 R&D Projects: GA ČR GA15-04121S Institutional support: RVO:68378271 Keywords : X-ray diffuse scattering * atomic displacements * anomalous X-ray scattering * SrTiO 3 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.495, year: 2016

A two-Lane model with anomalous slow dynamics

Science.gov (United States)

Linford, Dan; Richards, Trevor; Pleimling, Michel

2011-10-01

It is known that in one-dimensional equilibrium systems with short range interactions a phase transition cannot exist at finite, non-zero temperatures. However, far from equilibrium, one-dimensional systems with local interactions can exhibit a phase transition. The ABC model, a three species model defined on a chain characterized by non-symmetric exchanges between particles, is known to possess a non-equilibrium phase transition. This model exhibits anomalous slow dynamics that we investigate in some detail using two-time quantities. In addition we discuss an extension of this model to a case where this single lane is coupled to a one-dimensional particle bath. This coupling yields an additional phase transition that we discuss in some detail.

Quantifying the chiral magnetic effect from anomalous-viscous fluid dynamics

Science.gov (United States)

Jiang, Yin; Shi, Shuzhe; Yin, Yi; Liao, Jinfeng

2018-01-01

The Chiral Magnetic Effect (CME) is a macroscopic manifestation of fundamental chiral anomaly in a many-body system of chiral fermions, and emerges as an anomalous transport current in the fluid dynamics framework. Experimental observation of the CME is of great interest and has been reported in Dirac and Weyl semimetals. Significant efforts have also been made to look for the CME in heavy ion collisions. Critically needed for such a search is the theoretical prediction for the CME signal. In this paper we report a first quantitative modeling framework, Anomalous Viscous Fluid Dynamics (AVFD), which computes the evolution of fermion currents on top of realistic bulk evolution in heavy ion collisions and simultaneously accounts for both anomalous and normal viscous transport effects. AVFD allows a quantitative understanding of the generation and evolution of CME-induced charge separation during the hydrodynamic stage, as well as its dependence on theoretical ingredients. With reasonable estimates of key parameters, the AVFD simulations provide the first phenomenologically successful explanation of the measured signal in 200 AGeV AuAu collisions. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, within the framework of the Beam Energy Scan Theory (BEST) Topical Collaboration. The work is also supported in part by the National Science Foundation under Grant No. PHY-1352368 (SS and JL), by the National Science Foundation of China under Grant No. 11735007 (JL) and by the U.S. Department of Energy under grant Contract Number No. DE- SC0012704 (BNL)/DE-SC0011090 (MIT) (YY). JL is grateful to the Institute for Nuclear Theory for hospitality during the INT-16-3 Program. The computation of this research was performed on IU’s Big Red II cluster, supported in part by Lilly Endowment, Inc. (through its support for the Indiana University Pervasive Technology Institute) and in part by the Indiana METACyt

Dynamics of the diffusive DM-DE interaction – Dynamical system approach

Energy Technology Data Exchange (ETDEWEB)

Haba, Zbigniew [Institute of Theoretical Physics, University of Wroclaw, Plac Maxa Borna 9, 50-204 Wrocław (Poland); Stachowski, Aleksander; Szydłowski, Marek, E-mail: zhab@ift.uni.wroc.pl, E-mail: aleksander.stachowski@uj.edu.pl, E-mail: marek.szydlowski@uj.edu.pl [Astronomical Observatory, Jagiellonian University, Orla 171, 30-244 Krakow (Poland)

2016-07-01

We discuss dynamics of a model of an energy transfer between dark energy (DE) and dark matter (DM) . The energy transfer is determined by a non-conservation law resulting from a diffusion of dark matter in an environment of dark energy. The relativistic invariance defines the diffusion in a unique way. The system can contain baryonic matter and radiation which do not interact with the dark sector. We treat the Friedman equation and the conservation laws as a closed dynamical system. The dynamics of the model is examined using the dynamical systems methods for demonstration how solutions depend on initial conditions. We also fit the model parameters using astronomical observation: SNIa, H ( z ), BAO and Alcock-Paczynski test. We show that the model with diffuse DM-DE is consistent with the data.

Diffusive Dynamics of Nanoparticles in Arrays of Nanoposts

KAUST Repository

He, Kai; Babaye Khorasani, Firoozeh; Retterer, Scott T.; Thomas, Darrell K.; Conrad, Jacinta C.; Krishnamoorti, Ramanan

2013-01-01

The diffusive dynamics of dilute dispersions of nanoparticles of diameter 200-400 nm were studied in microfabricated arrays of nanoposts using differential dynamic microscopy and single particle tracking. Posts of diameter 500 nm and height 10 μm were spaced by 1.2-10 μm on a square lattice. As the spacing between posts was decreased, the dynamics of the nanoparticles slowed. Moreover, the dynamics at all length scales were best represented by a stretched exponential rather than a simple exponential. Both the relative diffusivity and the stretching exponent decreased linearly with increased confinement and, equivalently, with decreased void volume. The slowing of the overall diffusive dynamics and the broadening distribution of nanoparticle displacements with increased confinement are consistent with the onset of dynamic heterogeneity and the approach to vitrification. © 2013 American Chemical Society.

Diffusive Dynamics of Nanoparticles in Arrays of Nanoposts

KAUST Repository

He, Kai

2013-06-25

The diffusive dynamics of dilute dispersions of nanoparticles of diameter 200-400 nm were studied in microfabricated arrays of nanoposts using differential dynamic microscopy and single particle tracking. Posts of diameter 500 nm and height 10 μm were spaced by 1.2-10 μm on a square lattice. As the spacing between posts was decreased, the dynamics of the nanoparticles slowed. Moreover, the dynamics at all length scales were best represented by a stretched exponential rather than a simple exponential. Both the relative diffusivity and the stretching exponent decreased linearly with increased confinement and, equivalently, with decreased void volume. The slowing of the overall diffusive dynamics and the broadening distribution of nanoparticle displacements with increased confinement are consistent with the onset of dynamic heterogeneity and the approach to vitrification. © 2013 American Chemical Society.

1D momentum-conserving systems: the conundrum of anomalous versus normal heat transport

International Nuclear Information System (INIS)

Li, Yunyun; Li, Nianbei; Hänggi, Peter; Li, Baowen; Liu, Sha

2015-01-01

Transport and the spread of heat in Hamiltonian one dimensional momentum conserving nonlinear systems is commonly thought to proceed anomalously. Notable exceptions, however, do exist of which the coupled rotator model is a prominent case. Therefore, the quest arises to identify the origin of manifest anomalous energy and momentum transport in those low dimensional systems. We develop the theory for both, the statistical densities for momentum- and energy-spread and particularly its momentum-/heat-diffusion behavior, as well as its corresponding momentum/heat transport features. We demonstrate that the second temporal derivative of the mean squared deviation of the momentum spread is proportional to the equilibrium correlation of the total momentum flux. Subtracting the part which corresponds to a ballistic momentum spread relates (via this integrated, subleading momentum flux correlation) to an effective viscosity, or equivalently, to the underlying momentum diffusivity. We next put forward the intriguing hypothesis: normal spread of this so adjusted excess momentum density causes normal energy spread and alike normal heat transport (Fourier Law). Its corollary being that an anomalous, superdiffusive broadening of this adjusted excess momentum density in turn implies an anomalous energy spread and correspondingly anomalous, superdiffusive heat transport. This hypothesis is successfully corroborated within extensive molecular dynamics simulations over large extended time scales. Our numerical validation of the hypothesis involves four distinct archetype classes of nonlinear pair-interaction potentials: (i) a globally bounded pair interaction (the noted coupled rotator model), (ii) unbounded interactions acting at large distances (the coupled rotator model amended with harmonic pair interactions), (iii) the case of a hard point gas with unbounded square-well interactions and (iv) a pair interaction potential being unbounded at short distances while displaying an

1D momentum-conserving systems: the conundrum of anomalous versus normal heat transport

Science.gov (United States)

Li, Yunyun; Liu, Sha; Li, Nianbei; Hänggi, Peter; Li, Baowen

2015-04-01

Transport and the spread of heat in Hamiltonian one dimensional momentum conserving nonlinear systems is commonly thought to proceed anomalously. Notable exceptions, however, do exist of which the coupled rotator model is a prominent case. Therefore, the quest arises to identify the origin of manifest anomalous energy and momentum transport in those low dimensional systems. We develop the theory for both, the statistical densities for momentum- and energy-spread and particularly its momentum-/heat-diffusion behavior, as well as its corresponding momentum/heat transport features. We demonstrate that the second temporal derivative of the mean squared deviation of the momentum spread is proportional to the equilibrium correlation of the total momentum flux. Subtracting the part which corresponds to a ballistic momentum spread relates (via this integrated, subleading momentum flux correlation) to an effective viscosity, or equivalently, to the underlying momentum diffusivity. We next put forward the intriguing hypothesis: normal spread of this so adjusted excess momentum density causes normal energy spread and alike normal heat transport (Fourier Law). Its corollary being that an anomalous, superdiffusive broadening of this adjusted excess momentum density in turn implies an anomalous energy spread and correspondingly anomalous, superdiffusive heat transport. This hypothesis is successfully corroborated within extensive molecular dynamics simulations over large extended time scales. Our numerical validation of the hypothesis involves four distinct archetype classes of nonlinear pair-interaction potentials: (i) a globally bounded pair interaction (the noted coupled rotator model), (ii) unbounded interactions acting at large distances (the coupled rotator model amended with harmonic pair interactions), (iii) the case of a hard point gas with unbounded square-well interactions and (iv) a pair interaction potential being unbounded at short distances while displaying an

Direct in situ observations of single Fe atom catalytic processes and anomalous diffusion at graphene edges

Science.gov (United States)

Zhao, Jiong; Deng, Qingming; Avdoshenko, Stanislav M.; Fu, Lei; Eckert, Jürgen; Rümmeli, Mark H.

2014-01-01

Single-atom catalysts are of great interest because of their high efficiency. In the case of chemically deposited sp2 carbon, the implementation of a single transition metal atom for growth can provide crucial insight into the formation mechanisms of graphene and carbon nanotubes. This knowledge is particularly important if we are to overcome fabrication difficulties in these materials and fully take advantage of their distinct band structures and physical properties. In this work, we present atomically resolved transmission EM in situ investigations of single Fe atoms at graphene edges. Our in situ observations show individual iron atoms diffusing along an edge either removing or adding carbon atoms (viz., catalytic action). The experimental observations of the catalytic behavior of a single Fe atom are in excellent agreement with supporting theoretical studies. In addition, the kinetics of Fe atoms at graphene edges are shown to exhibit anomalous diffusion, which again, is in agreement with our theoretical investigations. PMID:25331874

Anomalous diffusion and Levy random walk of magnetic field lines in three dimensional turbulence

International Nuclear Information System (INIS)

Zimbardo, G.; Veltri, P.; Basile, G.; Principato, S.

1995-01-01

The transport of magnetic field lines is studied numerically where three dimensional (3-D) magnetic fluctuations, with a power law spectrum, and periodic over the simulation box are superimposed on an average uniform magnetic field. The weak and the strong turbulence regime, δB∼B 0 , are investigated. In the weak turbulence case, magnetic flux tubes are separated from each other by percolating layers in which field lines undergo a chaotic motion. In this regime the field lines may exhibit Levy, rather than Gaussian, random walk, changing from Levy flights to trapped motion. The anomalous diffusion laws left-angle Δx 2 i right-angle ∝s α with α>1 and α<1, are obtained for a number of cases, and the non-Gaussian character of the field line random walk is pointed out by computing the kurtosis. Increasing the fluctuation level, and, therefore stochasticity, normal diffusion (α congruent 1) is recovered and the kurtoses reach their Gaussian value. However, the numerical results show that neither the quasi-linear theory nor the two dimensional percolation theory can be safely extrapolated to the considered 3-D strong turbulence regime. copyright 1995 American Institute of Physics

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

International Nuclear Information System (INIS)

Mittal, R.

2014-01-01

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

Fractal diffusion coefficient from dynamical zeta functions

Energy Technology Data Exchange (ETDEWEB)

Cristadoro, Giampaolo [Max Planck Institute for the Physics of Complex Systems, Noethnitzer Str. 38, D 01187 Dresden (Germany)

2006-03-10

Dynamical zeta functions provide a powerful method to analyse low-dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand, even simple one-dimensional maps can show an intricate structure of the grammar rules that may lead to a non-smooth dependence of global observables on parameters changes. A paradigmatic example is the fractal diffusion coefficient arising in a simple piecewise linear one-dimensional map of the real line. Using the Baladi-Ruelle generalization of the Milnor-Thurnston kneading determinant, we provide the exact dynamical zeta function for such a map and compute the diffusion coefficient from its smallest zero. (letter to the editor)

Fractal diffusion coefficient from dynamical zeta functions

International Nuclear Information System (INIS)

Cristadoro, Giampaolo

2006-01-01

Dynamical zeta functions provide a powerful method to analyse low-dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand, even simple one-dimensional maps can show an intricate structure of the grammar rules that may lead to a non-smooth dependence of global observables on parameters changes. A paradigmatic example is the fractal diffusion coefficient arising in a simple piecewise linear one-dimensional map of the real line. Using the Baladi-Ruelle generalization of the Milnor-Thurnston kneading determinant, we provide the exact dynamical zeta function for such a map and compute the diffusion coefficient from its smallest zero. (letter to the editor)

Interestingness-Driven Diffusion Process Summarization in Dynamic Networks

DEFF Research Database (Denmark)

Qu, Qiang; Liu, Siyuan; Jensen, Christian S.

2014-01-01

The widespread use of social networks enables the rapid diffusion of information, e.g., news, among users in very large communities. It is a substantial challenge to be able to observe and understand such diffusion processes, which may be modeled as networks that are both large and dynamic. A key...... tool in this regard is data summarization. However, few existing studies aim to summarize graphs/networks for dynamics. Dynamic networks raise new challenges not found in static settings, including time sensitivity and the needs for online interestingness evaluation and summary traceability, which...... render existing techniques inapplicable. We study the topic of dynamic network summarization: how to summarize dynamic networks with millions of nodes by only capturing the few most interesting nodes or edges over time, and we address the problem by finding interestingness-driven diffusion processes...

Interfacial Stresses and the Anomalous Character of Thermoelastic-Deformation Curves of a Cu-Al-Ni Shape-Memory Alloy

Science.gov (United States)

Malygin, G. A.; Nikolaev, V. I.; Pulnev, S. A.; Chikiryaka, A. V.

2017-12-01

Thermoelastic-deformation curves of a single-crystalline Cu-13.5 wt % Al-4.0 wt % Ni shapememory (SM) alloy have been studied. Cyclic temperature variation in a 300-450 K interval revealed an anomalous character of thermoelastic hysteresis loops with regions of accelerated straining at both heating and cooling stages. The observed phenomenon can be used for increasing the response speed of SM-alloy based drive and sensor devices. Analysis of this phenomenon in the framework of the theory of diffuse martensitic transformations showed that the anomalous character of thermoelastic hysteresis loops may be related to the influence of interfacial stresses on the dynamics of martensitic transformations in these SM alloys.

Multienergy anomalous diffuse scattering

Czech Academy of Sciences Publication Activity Database

Kopecký, Miloš; Fábry, Jan; Kub, Jiří; Lausi, A.; Busetto, E.

2008-01-01

Roč. 100, č. 19 (2008), 195504/1-195504/4 ISSN 0031-9007 R&D Projects: GA AV ČR IAA100100529 Institutional research plan: CEZ:AV0Z10100523 Keywords : diffuse scattering * x-rays * structure determination Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.180, year: 2008

Anomalous stress diffusion, Omori's law and Continuous Time Random Walk in the 2010 Efpalion aftershock sequence (Corinth rift, Greece)

Science.gov (United States)

Michas, Georgios; Vallianatos, Filippos; Karakostas, Vassilios; Papadimitriou, Eleftheria; Sammonds, Peter

2014-05-01

result that is in accordance to earthquake triggering in global scale (Huc and Main, 2003) and aftershocks diffusion in California (Helmstetter et al., 2003). While other mechanisms may be plausible, the results indicate that anomalous stress transfer due to the occurrence of the two major events control the migration of the aftershock activity, activating different fault segments and having strong implications for the seismic hazard of the area. Acknowledgments. G. Michas wishes to acknowledge the partial financial support from the Greek State Scholarships Foundation (IKY). This work has been accomplished in the framework of the postgraduate program and co-funded through the action "Program for scholarships provision I.K.Y. through the procedure of personal evaluation for the 2011-2012 academic year" from resources of the educational program "Education and Life Learning" of the European Social Register and NSRF 2007- 2013. References Ganas, A., Chousianitis, K., Batsi, E., Kolligri, M., Agalos, A., Chouliaras, G., Makropoulos, K. (2013). The January 2010 Efpalion earthquakes (Gulf of Corinth, central Greece): Earthquake interactions and blind normal faulting. J. of Seism., 17(2), 465-484. Helmstetter, A., Ouillon, G., Sornette, D. (2003). Are aftershocks of large California earthquakes diffusing? J. of Geophys. Res. B, 108(10), 2483. Huc, M., Main, I. G. (2003). Anomalous stress diffusion in earthquake triggering: Correlation length, time dependence, and directionality. J. of Geophys. Res. B, 108(7), 2324. Karakostas, V., Karagianni, E., Paradisopoulou, P. (2012). Space-time analysis, faulting and triggering of the 2010 earthquake doublet in western Corinth gulf. Nat.Haz., 63(2), 1181-1202. Metzler, R., Klafter, J. (2000). The random walk's guide to anomalous diffusion: a fractional dynamics approach. Physics Reports, 339, 1-77. Michas, G., Vallianatos, F., Sammonds, P. (2013). Non-extensivity and long-range correlations in the earthquake activity at the West Corinth

Long-Time Dynamic Response and Stochastic Resonance of Subdiffusive Overdamped Bistable Fractional Fokker-Planck Systems

International Nuclear Information System (INIS)

Yan-Mei, Kang; Yao-Lin, Jiang

2008-01-01

To explore the influence of anomalous diffusion on stochastic resonance (SR) more deeply and effectively, the method of moments is extended to subdiffusive overdamped bistable fractional Fokker-Planck systems for calculating the long-time linear dynamic response. It is found that the method of moments attains high accuracy with the truncation order N = 10, and in normal diffusion such obtained spectral amplification factor (SAF) of the first-order harmonic is also confirmed by stochastic simulation. Observing the SAF of the odd-order harmonics we find some interesting results, i.e. for smaller driving frequency the decrease of sub diffusion exponent inhibits the stochastic resonance (SR), while for larger driving frequency the decrease of sub diffusion exponent enhances the second SR peak, but the first one vanishes and a double SR is induced in the third-order harmonic at the same time. These observations suggest that the anomalous diffusion has important influence on the bistable dynamics

Anomalous diffusion measured by a twice-refocused spin echo pulse sequence: analysis using fractional order calculus.

Science.gov (United States)

Gao, Qing; Srinivasan, Girish; Magin, Richard L; Zhou, Xiaohong Joe

2011-05-01

To theoretically develop and experimentally validate a formulism based on a fractional order calculus (FC) diffusion model to characterize anomalous diffusion in brain tissues measured with a twice-refocused spin-echo (TRSE) pulse sequence. The FC diffusion model is the fractional order generalization of the Bloch-Torrey equation. Using this model, an analytical expression was derived to describe the diffusion-induced signal attenuation in a TRSE pulse sequence. To experimentally validate this expression, a set of diffusion-weighted (DW) images was acquired at 3 Tesla from healthy human brains using a TRSE sequence with twelve b-values ranging from 0 to 2600 s/mm(2). For comparison, DW images were also acquired using a Stejskal-Tanner diffusion gradient in a single-shot spin-echo echo planar sequence. For both datasets, a Levenberg-Marquardt fitting algorithm was used to extract three parameters: diffusion coefficient D, fractional order derivative in space β, and a spatial parameter μ (in units of μm). Using adjusted R-squared values and standard deviations, D, β, and μ values and the goodness-of-fit in three specific regions of interest (ROIs) in white matter, gray matter, and cerebrospinal fluid, respectively, were evaluated for each of the two datasets. In addition, spatially resolved parametric maps were assessed qualitatively. The analytical expression for the TRSE sequence, derived from the FC diffusion model, accurately characterized the diffusion-induced signal loss in brain tissues at high b-values. In the selected ROIs, the goodness-of-fit and standard deviations for the TRSE dataset were comparable with the results obtained from the Stejskal-Tanner dataset, demonstrating the robustness of the FC model across multiple data acquisition strategies. Qualitatively, the D, β, and μ maps from the TRSE dataset exhibited fewer artifacts, reflecting the improved immunity to eddy currents. The diffusion-induced signal attenuation in a TRSE pulse sequence

Diffuse charge dynamics in ionic thermoelectrochemical systems.

Science.gov (United States)

Stout, Robert F; Khair, Aditya S

2017-08-01

Thermoelectrics are increasingly being studied as promising electrical generators in the ongoing search for alternative energy sources. In particular, recent experimental work has examined thermoelectric materials containing ionic charge carriers; however, the majority of mathematical modeling has been focused on their steady-state behavior. Here, we determine the time scales over which the diffuse charge dynamics in ionic thermoelectrochemical systems occur by analyzing the simplest model thermoelectric cell: a binary electrolyte between two parallel, blocking electrodes. We consider the application of a temperature gradient across the device while the electrodes remain electrically isolated from each other. This results in a net voltage, called the thermovoltage, via the Seebeck effect. At the same time, the Soret effect results in migration of the ions toward the cold electrode. The charge dynamics are described mathematically by the Poisson-Nernst-Planck equations for dilute solutions, in which the ion flux is driven by electromigration, Brownian diffusion, and thermal diffusion under a temperature gradient. The temperature evolves according to the heat equation. This nonlinear set of equations is linearized in the (experimentally relevant) limit of a "weak" temperature gradient. From this, we show that the time scale on which the thermovoltage develops is the Debye time, 1/Dκ^{2}, where D is the Brownian diffusion coefficient of both ion species, and κ^{-1} is the Debye length. However, the concentration gradient due to the Soret effect develops on the bulk diffusion time, L^{2}/D, where L is the distance between the electrodes. For thin diffuse layers, which is the condition under which most real devices operate, the Debye time is orders of magnitude less than the diffusion time. Therefore, rather surprisingly, the majority of ion motion occurs after the steady thermovoltage has developed. Moreover, the dynamics are independent of the thermal diffusion

Diffuse charge dynamics in ionic thermoelectrochemical systems

Science.gov (United States)

Stout, Robert F.; Khair, Aditya S.

2017-08-01

Thermoelectrics are increasingly being studied as promising electrical generators in the ongoing search for alternative energy sources. In particular, recent experimental work has examined thermoelectric materials containing ionic charge carriers; however, the majority of mathematical modeling has been focused on their steady-state behavior. Here, we determine the time scales over which the diffuse charge dynamics in ionic thermoelectrochemical systems occur by analyzing the simplest model thermoelectric cell: a binary electrolyte between two parallel, blocking electrodes. We consider the application of a temperature gradient across the device while the electrodes remain electrically isolated from each other. This results in a net voltage, called the thermovoltage, via the Seebeck effect. At the same time, the Soret effect results in migration of the ions toward the cold electrode. The charge dynamics are described mathematically by the Poisson-Nernst-Planck equations for dilute solutions, in which the ion flux is driven by electromigration, Brownian diffusion, and thermal diffusion under a temperature gradient. The temperature evolves according to the heat equation. This nonlinear set of equations is linearized in the (experimentally relevant) limit of a "weak" temperature gradient. From this, we show that the time scale on which the thermovoltage develops is the Debye time, 1 /D κ2 , where D is the Brownian diffusion coefficient of both ion species, and κ-1 is the Debye length. However, the concentration gradient due to the Soret effect develops on the bulk diffusion time, L2/D , where L is the distance between the electrodes. For thin diffuse layers, which is the condition under which most real devices operate, the Debye time is orders of magnitude less than the diffusion time. Therefore, rather surprisingly, the majority of ion motion occurs after the steady thermovoltage has developed. Moreover, the dynamics are independent of the thermal diffusion

Dynamical theory of anomalous particle transport

International Nuclear Information System (INIS)

Meiss, J.D.; Cary, J.R.; Escande, D.F.; MacKay, R.S.; Percival, I.C.; Tennyson, J.L.

1985-01-01

The quasi-linear theory of transport applies only in a restricted parameter range, which does not necessarily correspond to experimental conditions. Theories are developed which extend transport calculations to the regimes of marginal stochasticity and strong turbulence. Near the stochastic threshold the description of transport involves the leakage through destroyed invariant surfaces, and the dynamical scaling theory is used to obtain a universal form for transport coefficients. In the strong-turbulence regime, there is an adiabatic invariant which is preserved except near separatrices. Breakdown of this invariant leads to a new form for the diffusion coefficient. (author)

Weak diffusion limits of dynamic conditional correlation models

DEFF Research Database (Denmark)

Hafner, Christian M.; Laurent, Sebastien; Violante, Francesco

The properties of dynamic conditional correlation (DCC) models are still not entirely understood. This paper fills one of the gaps by deriving weak diffusion limits of a modified version of the classical DCC model. The limiting system of stochastic differential equations is characterized...... by a diffusion matrix of reduced rank. The degeneracy is due to perfect collinearity between the innovations of the volatility and correlation dynamics. For the special case of constant conditional correlations, a non-degenerate diffusion limit can be obtained. Alternative sets of conditions are considered...

Ageing dynamics of translational and rotational diffusion in a colloidal glass

International Nuclear Information System (INIS)

Jabbari-Farouji, Sara; Eiser, Erika; Wegdam, Gerard H; Bonn, Daniel

2004-01-01

We study the dynamics of translational and rotational diffusion during the ageing of a colloidal glass of Laponite using polarized and depolarized dynamic light scattering. The dynamics are qualitatively similar between the two degrees of freedom. The short-time diffusion is independent of the time elapsed since the sample preparation. The intermediate- and long-time diffusion, on the other hand, slows down by several orders of magnitude during the ageing. The slowing down of the rotational diffusion is found to be much faster than that of the translational diffusion. (letter to the editor)

Dynamical behaviour of the coupled diffusion map lattice

International Nuclear Information System (INIS)

Wei Wang; Cerdeira, H.A.

1993-10-01

In this paper we report the dynamical study of a coupled diffusive map lattice with the coupling between the elements only through the bifurcation parameter of the mapping function. The diffusive process of the lattice from an initially random distribution state to a homogeneous one and the stable range of the diffusive homogeneous attractor are discussed. For various coupling strengths we find that there are several types of spatio-temporal structures. In addition, the evolution of the lattice into chaos is studied and a largest Lyapunov exponent is used to characterize the dynamical behaviour. (author). 22 refs, 9 figs

GRAVITATIONAL ENCOUNTERS AND THE EVOLUTION OF GALACTIC NUCLEI. III. ANOMALOUS RELAXATION

Energy Technology Data Exchange (ETDEWEB)

Merritt, David [Department of Physics and Center for Computational Relativity and Gravitation, Rochester Institute of Technology, Rochester, NY 14623 (United States)

2015-09-01

This paper is the third in a series presenting the results of direct numerical integrations of the Fokker–Planck equation for stars orbiting a supermassive black hole (SBH) at the center of a galaxy. The algorithm of Paper II included diffusion coefficients that described the effects of random (“classical”) and correlated (“resonant”) relaxation. In this paper, the diffusion coefficients of Paper II have been generalized to account for the effects of “anomalous relaxation,” the qualitatively different way in which eccentric orbits evolve in the regime of rapid relativistic precession. Two functional forms for the anomalous diffusion coefficients are investigated, based on power-law or exponential modifications of the resonant diffusion coefficients. The parameters defining the modified coefficients are first constrained by comparing the results of Fokker–Planck integrations with previously published N-body integrations. Steady-state solutions are then obtained via the Fokker–Planck equation for models with properties similar to those of the Milky Way nucleus. Inclusion of anomalous relaxation leads to the formation of less prominent cores than in the case of resonant relaxation alone, due to the lengthening of diffusion timescales for eccentric orbits. Steady-state capture rates of stars by the SBH are found to always be less than capture rates in the presence of resonant relaxation alone.

GRAVITATIONAL ENCOUNTERS AND THE EVOLUTION OF GALACTIC NUCLEI. III. ANOMALOUS RELAXATION

International Nuclear Information System (INIS)

Merritt, David

2015-01-01

This paper is the third in a series presenting the results of direct numerical integrations of the Fokker–Planck equation for stars orbiting a supermassive black hole (SBH) at the center of a galaxy. The algorithm of Paper II included diffusion coefficients that described the effects of random (“classical”) and correlated (“resonant”) relaxation. In this paper, the diffusion coefficients of Paper II have been generalized to account for the effects of “anomalous relaxation,” the qualitatively different way in which eccentric orbits evolve in the regime of rapid relativistic precession. Two functional forms for the anomalous diffusion coefficients are investigated, based on power-law or exponential modifications of the resonant diffusion coefficients. The parameters defining the modified coefficients are first constrained by comparing the results of Fokker–Planck integrations with previously published N-body integrations. Steady-state solutions are then obtained via the Fokker–Planck equation for models with properties similar to those of the Milky Way nucleus. Inclusion of anomalous relaxation leads to the formation of less prominent cores than in the case of resonant relaxation alone, due to the lengthening of diffusion timescales for eccentric orbits. Steady-state capture rates of stars by the SBH are found to always be less than capture rates in the presence of resonant relaxation alone

Dynamic aperture and transverse proton diffusion in HERA

International Nuclear Information System (INIS)

Zimmermann, F.

1994-04-01

The dynamic aperture caused by persistent-current nonlinear field errors is an important concern in the design of superconducting hadron storage rings. The HERA proton ring is the second superconducting accelerator in operation. In this lecture note, its measured dynamic aperture is compared with that inferred from comprehensive trackig studies. To understand the difference between prediction and measurement, a semi-analytical method is developed for evaluating transverse diffusion rates due to various processes, such as modulational diffusion or sweeping diffusion this analysis makes use of parameters for high-order resonances in the transverse phase space, which are obtained by normal-form algorithms using differential-algebra software. This semi-analytical results are consistent wit the measurements, and suggest that the actual dynamic aperture is caused by an interplay of tune modulation and nonlinear magnetic fields

Diffusive dynamics of nanoparticles in aqueous dispersions

KAUST Repository

He, Kai; Spannuth, Melissa; Conrad, Jacinta C.; Krishnamoorti, Ramanan

2012-01-01

The diffusive dynamics of 100 nm to 400 nm diameter polystyrene nanoparticles dispersed in water were studied using brightfield and fluorescence based differential dynamic microscopy (DDM) and compared to those obtained from dynamic light scattering. The relaxation times measured with brightfield and fluorescence DDM over a broad range of concentration of nanoparticles (10 -6 ≤ φ ≤ 10-3) and scattering vectors (0.5 μm-1 < q < 10 μm-1) are in excellent agreement with each other and extrapolate quantitatively to those obtained from DLS measurements. The diffusion coefficients extracted from the q-dependent relaxation times using all three methods are independent of the nanoparticle concentration. © 2012 The Royal Society of Chemistry.

Filamentation and light bullet formation dynamics in solid-state dielectric media with weak, moderate and strong anomalous group velocity dispersion

International Nuclear Information System (INIS)

Gražulevičiūtė, I; Garejev, N; Majus, D; Tamošauskas, G; A Dubietis; Jukna, V

2016-01-01

We present a series of measurements, which characterize filamentation dynamics of intense ultrashort laser pulses in the space–time domain, as captured by means of three-dimensional imaging technique in sapphire and fused silica, in the wavelength range of 1.45–2.25 μm, accessing the regimes of weak, moderate and strong anomalous group velocity dispersion (GVD). In the regime of weak anomalous GVD (at 1.45 μm), pulse splitting into two sub-pulses producing a pair of light bullets with spectrally shifted carrier frequencies in both nonlinear media is observed. In contrast, in the regimes of moderate (at 1.8 μm) and strong (at 2.25 μm) anomalous GVD we observe notably different transient dynamics, which however lead to the formation of a single self-compressed quasistationary light bullet with an universal spatiotemporal shape comprised of an extended ring-shaped periphery and a localized intense core that carries the self-compressed pulse. (paper)

Filamentation and light bullet formation dynamics in solid-state dielectric media with weak, moderate and strong anomalous group velocity dispersion

Science.gov (United States)

Gražulevičiūtė, I.; Garejev, N.; Majus, D.; Jukna, V.; Tamošauskas, G.; Dubietis, A.

2016-02-01

We present a series of measurements, which characterize filamentation dynamics of intense ultrashort laser pulses in the space-time domain, as captured by means of three-dimensional imaging technique in sapphire and fused silica, in the wavelength range of 1.45-2.25 μm, accessing the regimes of weak, moderate and strong anomalous group velocity dispersion (GVD). In the regime of weak anomalous GVD (at 1.45 μm), pulse splitting into two sub-pulses producing a pair of light bullets with spectrally shifted carrier frequencies in both nonlinear media is observed. In contrast, in the regimes of moderate (at 1.8 μm) and strong (at 2.25 μm) anomalous GVD we observe notably different transient dynamics, which however lead to the formation of a single self-compressed quasistationary light bullet with an universal spatiotemporal shape comprised of an extended ring-shaped periphery and a localized intense core that carries the self-compressed pulse.

Anomalous scaling of structure functions and dynamic constraints on turbulence simulations

International Nuclear Information System (INIS)

Yakhot, Victor; Sreenivasan, Katepalli R.

2006-12-01

The connection between anomalous scaling of structure functions (intermittency) and numerical methods for turbulence simulations is discussed. It is argued that the computational work for direct numerical simulations (DNS) of fully developed turbulence increases as Re 4 , and not as Re 3 expected from Kolmogorov's theory, where Re is a large-scale Reynolds number. Various relations for the moments of acceleration and velocity derivatives are derived. An infinite set of exact constraints on dynamically consistent subgrid models for Large Eddy Simulations (LES) is derived from the Navier-Stokes equations, and some problems of principle associated with existing LES models are highlighted. (author)

Maxwell–Stefan diffusion and dynamical correlation in molten LiF-KF: A molecular dynamics study

Energy Technology Data Exchange (ETDEWEB)

Jain, Richa Naja, E-mail: ltprichanaja@gmail.com; Chakraborty, Brahmananda; Ramaniah, Lavanya M. [High Pressure & Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-85 (India)

2016-05-23

In this work our main objective is to compute Dynamical correlations, Onsager coefficients and Maxwell-Stefan (MS) diffusivities for molten salt LiF-KF mixture at various thermodynamic states through Green–Kubo formalism for the first time. The equilibrium molecular dynamics (MD) simulations were performed using BHM potential for LiF–KF mixture. The velocity autocorrelations functions involving Li ions reflect the endurance of cage dynamics or backscattering with temperature. The magnitude of Onsager coefficients for all pairs increases with increase in temperature. Interestingly most of the Onsager coefficients has almost maximum magnitude at the eutectic composition indicating the most dynamic character of the eutectic mixture. MS diffusivity hence diffusion for all ion pairs increases in the system with increasing temperature. Smooth variation of the diffusivity values denies any network formation in the mixture. Also, the striking feature is the noticeable concentration dependence of MS diffusivity between cation-cation pair, Đ{sub Li-K} which remains negative for most of the concentration range but changes sign to become positive for higher LiF concentration. The negative MS diffusivity is acceptable as it satisfies the non-negative entropy constraint governed by 2{sup nd} law of thermodynamics. This high diffusivity also vouches the candidature of molten salt as a coolant.

Control of dynamical localization

International Nuclear Information System (INIS)

Gong Jiangbin; Woerner, Hans Jakob; Brumer, Paul

2003-01-01

Control over the quantum dynamics of chaotic kicked rotor systems is demonstrated. Specifically, control over a number of quantum coherent phenomena is achieved by a simple modification of the kicking field. These include the enhancement of the dynamical localization length, the introduction of classical anomalous diffusion assisted control for systems far from the semiclassical regime, and the observation of a variety of strongly nonexponential line shapes for dynamical localization. The results provide excellent examples of controlled quantum dynamics in a system that is classically chaotic and offer opportunities to explore quantum fluctuations and correlations in quantum chaos

Multicomponent diffusion in molten salt LiF-BeF{sub 2}: Dynamical correlations and Maxwell–Stefan diffusivities

Energy Technology Data Exchange (ETDEWEB)

Chakraborty, Brahmananda, E-mail: brahma@barc.gov.in; Ramaniah, Lavanya M. [High Pressure & Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400085 (India)

2015-06-24

Applying Green–Kubo formalism and equilibrium molecular dynamics (MD) simulations, we have studied the dynamic correlation, Onsager coeeficients and Maxwell–Stefan (MS) Diffusivities of molten salt LiF-BeF{sub 2}, which is used as coolant in high temperature reactor. All the diffusive flux correlations show back-scattering or cage dynamics which becomes pronouced at higher temperature. Although the MS diffusivities are expected to depend very lightly on the composition due to decoupling of thermodynamic factor, the diffusivity Đ{sub Li-F} and Đ{sub Be-F} decreases sharply for higher concentration of LiF and BeF{sub 2} respectively. Interestingly, all three MS diffusivities have highest magnitude for eutectic mixture at 1000K (except Đ{sub Be-F} at lower LiF mole fraction) which is desirable from coolant point of view. Although the diffusivity for positive-positive ion pair is negative it is not in violation of the second law of thermodynamics as it satisfies the non-negative entropic constraints.

Anomalous particle diffusion and Levy random walk of magnetic field lines in three dimensional solar wind turbulence

International Nuclear Information System (INIS)

Zimbardo, G.

2005-01-01

Plasma transport in the presence of turbulence depends on a variety of parameters like the fluctuation level ? B/B0, the ratio between the particle Larmor radius and the turbulence correlation lengths, and the turbulence anisotropy. In this presentation, we review the results of numerical simulations of plasma and magnetic field line transport in the case of anisotropic magnetic turbulence, for parameter values close to those of the solar wind. We assume a uniform background magnetic field B0 = B0ez and a Fourier representation for magnetic fluctuations, with wavectors forming any angle with respect to B0. The energy density spectrum is a power law, and in k space the constant amplitude surfaces are ellipsoids, described by the correlation lengths lx, ly, lz, which quantify the anisotropy of turbulence. For magnetic field lines, we find that transport perpendicular to the background field depends on the Kubo number R = ? B B0 lz lx . For small Kubo numbers, R ? 1, we find anomalous, non Gaussian transport regimes (both sub and superdiffusive) which can be described as a Levy random walk. Increasing the Kubo number, i.e., the fluctuation level ? B/B0 and/or the ratio lz/lx, we find first a quasilinear and then a percolative regime, both corresponding to Gaussian diffusion. For particles, we find that transport parallel and perpendicular to the background magnetic field heavily depends on the turbulence anisotropy and on the particle Larmor radius. For turbulence levels typical of the solar wind, ? B/B0 ? 0.5 ?1, when the ratio between the particle Larmor radius and the turbulence correlation lengths is small, anomalous regimes are found in the case lz/lx ? 1, with Levy random walk (superdiffusion) along the magnetic field and subdiffusion in the perpendicular directions. Conversely, for lz/lx > 1 normal, Gaussian diffusion is found. Increasing the ratio between the particle Larmor radius and the turbulence correlation lengths, the parallel superdiffusion is

From localization to anomalous diffusion in the dynamics of coupled kicked rotors.

Science.gov (United States)

Notarnicola, Simone; Iemini, Fernando; Rossini, Davide; Fazio, Rosario; Silva, Alessandro; Russomanno, Angelo

2018-02-01

We study the effect of many-body quantum interference on the dynamics of coupled periodically kicked systems whose classical dynamics is chaotic and shows an unbounded energy increase. We specifically focus on an N-coupled kicked rotors model: We find that the interplay of quantumness and interactions dramatically modifies the system dynamics, inducing a transition between energy saturation and unbounded energy increase. We discuss this phenomenon both numerically and analytically through a mapping onto an N-dimensional Anderson model. The thermodynamic limit N→∞, in particular, always shows unbounded energy growth. This dynamical delocalization is genuinely quantum and very different from the classical one: Using a mean-field approximation, we see that the system self-organizes so that the energy per site increases in time as a power law with exponent smaller than 1. This wealth of phenomena is a genuine effect of quantum interference: The classical system for N≥2 always behaves ergodically with an energy per site linearly increasing in time. Our results show that quantum mechanics can deeply alter the regularity or ergodicity properties of a many-body-driven system.

Molecular dynamics and diffusion a compilation

CERN Document Server

Fisher, David

2013-01-01

The molecular dynamics technique was developed in the 1960s as the outgrowth of attempts to model complicated systems by using either a) direct physical simulation or (following the great success of Monte Carlo methods) by b) using computer techniques. Computer simulation soon won out over clumsy physical simulation, and the ever-increasing speed and sophistication of computers has naturally made molecular dynamics simulation into a more and more successful technique. One of its most popular applications is the study of diffusion, and some experts now even claim that molecular dynamics simulation is, in the case of situations involving well-characterised elements and structures, more accurate than experimental measurement. The present double volume includes a compilation (over 600 items) of predicted solid-state diffusion data, for all of the major materials groups, dating back nearly four decades. The double volume also includes some original papers: "Determination of the Activation Energy for Formation and ...

Dynamics of Nano-Chain Diffusing in Porous Media

International Nuclear Information System (INIS)

Chen Jiang-Xing; Zheng Qiang; Huang Chun-Yun; Xu Jiang-Rong; Ying He-Ping

2015-01-01

A coarse-grained model is proposed to study the dynamics of a nano-chain diffusing in porous media. The simulation utilizes a hybrid method which combines stochastic rotation dynamics with molecular dynamics. Solvent molecules are explicitly taken into account to represent the hydrodynamic interactions and random fluctuations. The conformation, relaxation, and diffusion properties of a polymer chain are investigated by changing the density degree of the obstacle matrix. It is found that the average size of the chain is a nonmonotonic function of the obstacle volume fraction ϕ. A dense environment may contribute to extending a linear chain, which can be characterized by larger exponents in the corresponding power law. The relaxation behavior of a stretched chain to a steady state shows dramatic crossover from exponent to power-law relaxation when the values of φ are increased. The dependence of the diffusion coefficient on the chain size is also studied. Various kinds of scaling properties are presented and discussed. The results can give additional insight into the density effect of porous media on polymer structure and dynamics. (paper)

Mesoscopic dynamics of diffusion-influenced enzyme kinetics.

Science.gov (United States)

Chen, Jiang-Xing; Kapral, Raymond

2011-01-28

A particle-based mesoscopic model for enzyme kinetics is constructed and used to investigate the influence of diffusion on the reactive dynamics. Enzymes and enzyme-substrate complexes are modeled as finite-size soft spherical particles, while substrate, product, and solvent molecules are point particles. The system is evolved using a hybrid molecular dynamics-multiparticle collision dynamics scheme. Both the nonreactive and reactive dynamics are constructed to satisfy mass, momentum, and energy conservation laws, and reversible reaction steps satisfy detailed balance. Hydrodynamic interactions among the enzymes and complexes are automatically accounted for in the dynamics. Diffusion manifests itself in various ways, notably in power-law behavior in the evolution of the species concentrations. In accord with earlier investigations, regimes where the product production rate exhibits either monotonic or nonmonotonic behavior as a function of time are found. In addition, the species concentrations display both t(-1/2) and t(-3/2) power-law behavior, depending on the dynamical regime under investigation. For high enzyme volume fractions, cooperative effects influence the enzyme kinetics. The time dependent rate coefficient determined from the mass action rate law is computed and shown to depend on the enzyme concentration. Lifetime distributions of substrate molecules newly released in complex dissociation events are determined and shown to have either a power-law form for rebinding to the same enzyme from which they were released or an exponential form for rebinding to different enzymes. The model can be used and extended to explore a variety of issues related concentration effects and diffusion on enzyme kinetics.

Mesoscopic dynamics of diffusion-influenced enzyme kinetics

Science.gov (United States)

Chen, Jiang-Xing; Kapral, Raymond

2011-01-01

A particle-based mesoscopic model for enzyme kinetics is constructed and used to investigate the influence of diffusion on the reactive dynamics. Enzymes and enzyme-substrate complexes are modeled as finite-size soft spherical particles, while substrate, product, and solvent molecules are point particles. The system is evolved using a hybrid molecular dynamics-multiparticle collision dynamics scheme. Both the nonreactive and reactive dynamics are constructed to satisfy mass, momentum, and energy conservation laws, and reversible reaction steps satisfy detailed balance. Hydrodynamic interactions among the enzymes and complexes are automatically accounted for in the dynamics. Diffusion manifests itself in various ways, notably in power-law behavior in the evolution of the species concentrations. In accord with earlier investigations, regimes where the product production rate exhibits either monotonic or nonmonotonic behavior as a function of time are found. In addition, the species concentrations display both t^{-1/2} and t^{-3/2} power-law behavior, depending on the dynamical regime under investigation. For high enzyme volume fractions, cooperative effects influence the enzyme kinetics. The time dependent rate coefficient determined from the mass action rate law is computed and shown to depend on the enzyme concentration. Lifetime distributions of substrate molecules newly released in complex dissociation events are determined and shown to have either a power-law form for rebinding to the same enzyme from which they were released or an exponential form for rebinding to different enzymes. The model can be used and extended to explore a variety of issues related concentration effects and diffusion on enzyme kinetics.

From localization to anomalous diffusion in the dynamics of coupled kicked rotors

Science.gov (United States)

Notarnicola, Simone; Iemini, Fernando; Rossini, Davide; Fazio, Rosario; Silva, Alessandro; Russomanno, Angelo

2018-02-01

We study the effect of many-body quantum interference on the dynamics of coupled periodically kicked systems whose classical dynamics is chaotic and shows an unbounded energy increase. We specifically focus on an N -coupled kicked rotors model: We find that the interplay of quantumness and interactions dramatically modifies the system dynamics, inducing a transition between energy saturation and unbounded energy increase. We discuss this phenomenon both numerically and analytically through a mapping onto an N -dimensional Anderson model. The thermodynamic limit N →∞ , in particular, always shows unbounded energy growth. This dynamical delocalization is genuinely quantum and very different from the classical one: Using a mean-field approximation, we see that the system self-organizes so that the energy per site increases in time as a power law with exponent smaller than 1. This wealth of phenomena is a genuine effect of quantum interference: The classical system for N ≥2 always behaves ergodically with an energy per site linearly increasing in time. Our results show that quantum mechanics can deeply alter the regularity or ergodicity properties of a many-body-driven system.

Color diffusion in QCD transport theory

International Nuclear Information System (INIS)

Selikhov, A.V.; Gyulassy, M.

1993-01-01

Color diffusion is shown to be an important dissipative property of quark-gluon plasmas with the characteristic color relaxation time scale, t c ∼ (3α s T log (m E /m M )) -1 , showing its sensitivity to the ratio of the static color electric and magnetic screening masses. Fokker-Planck equations are derived for QCD Wigner distributions taking into account quantum color dynamics. These equations show that the anomalously small color relaxation time leads to a small color conductivity and to strong damping of collective color modes

Rumor Diffusion in an Interests-Based Dynamic Social Network

Directory of Open Access Journals (Sweden)

Mingsheng Tang

2013-01-01

Full Text Available To research rumor diffusion in social friend network, based on interests, a dynamic friend network is proposed, which has the characteristics of clustering and community, and a diffusion model is also proposed. With this friend network and rumor diffusion model, based on the zombie-city model, some simulation experiments to analyze the characteristics of rumor diffusion in social friend networks have been conducted. The results show some interesting observations: (1 positive information may evolve to become a rumor through the diffusion process that people may modify the information by word of mouth; (2 with the same average degree, a random social network has a smaller clustering coefficient and is more beneficial for rumor diffusion than the dynamic friend network; (3 a rumor is spread more widely in a social network with a smaller global clustering coefficient than in a social network with a larger global clustering coefficient; and (4 a network with a smaller clustering coefficient has a larger efficiency.

Convection-diffusion effects in marathon race dynamics

Science.gov (United States)

Rodriguez, E.; Espinosa-Paredes, G.; Alvarez-Ramirez, J.

2014-01-01

In the face of the recent terrorist attack event on the 2013 Boston Marathon, the increasing participation of recreational runners in large marathon races has imposed important logistical and safety issues for organizers and city authorities. An accurate understanding of the dynamics of the marathon pack along the race course can provide important insights for improving safety and performance of these events. On the other hand, marathon races can be seen as a model of pedestrian movement under confined conditions. This work used data of the 2011 Chicago Marathon event for modeling the dynamics of the marathon pack from the corral zone to the finish line. By considering the marathon pack as a set of particles moving along the race course, the dynamics are modeled as a convection-diffusion partial differential equation with position-dependent mean velocity and diffusion coefficient. A least-squares problem is posed and solved with optimization techniques for fitting field data from the 2011 Chicago Marathon. It was obtained that the mean pack velocity decreases while the diffusion coefficient increases with distance. This means that the dispersion rate of the initially compact marathon pack increases as the marathon race evolves along the race course.

A Dynamical Theory of Markovian Diffusion

OpenAIRE

Davidson, Mark

2001-01-01

A dynamical treatment of Markovian diffusion is presented and several applications discussed. The stochastic interpretation of quantum mechanics is considered within this framework. A model for Brownian movement which includes second order quantum effects is derived.

Fractional cable equation models for anomalous electrodiffusion in nerve cells: infinite domain solutions.

Science.gov (United States)

Langlands, T A M; Henry, B I; Wearne, S L

2009-12-01

We introduce fractional Nernst-Planck equations and derive fractional cable equations as macroscopic models for electrodiffusion of ions in nerve cells when molecular diffusion is anomalous subdiffusion due to binding, crowding or trapping. The anomalous subdiffusion is modelled by replacing diffusion constants with time dependent operators parameterized by fractional order exponents. Solutions are obtained as functions of the scaling parameters for infinite cables and semi-infinite cables with instantaneous current injections. Voltage attenuation along dendrites in response to alpha function synaptic inputs is computed. Action potential firing rates are also derived based on simple integrate and fire versions of the models. Our results show that electrotonic properties and firing rates of nerve cells are altered by anomalous subdiffusion in these models. We have suggested electrophysiological experiments to calibrate and validate the models.

Shock Wave Dynamics in Weakly Ionized Plasmas

Science.gov (United States)

Johnson, Joseph A., III

1999-01-01

An investigation of the dynamics of shock waves in weakly ionized argon plasmas has been performed using a pressure ruptured shock tube. The velocity of the shock is observed to increase when the shock traverses the plasma. The observed increases cannot be accounted for by thermal effects alone. Possible mechanisms that could explain the anomalous behavior include a vibrational/translational relaxation in the nonequilibrium plasma, electron diffusion across the shock front resulting from high electron mobility, and the propagation of ion-acoustic waves generated at the shock front. Using a turbulence model based on reduced kinetic theory, analysis of the observed results suggest a role for turbulence in anomalous shock dynamics in weakly ionized media and plasma-induced hypersonic drag reduction.

Anomalous diffusion spreads its wings

Energy Technology Data Exchange (ETDEWEB)

Klafter, J. [School of Chemistry, Tel Aviv University, Tel-Aviv (Israel)]. E-mail: klafter@post.tau.ac.il; Sokolov, I.M. [Institute of Physics, Humboldt University, Berlin (Germany)]. E-mail: igor.sokolov@physik.hu-berlin.de

2005-08-01

An increasing number of natural phenomena do not fit into the relatively simple description of diffusion developed by Einstein a century ago. As all of us are no doubt aware, this year has been declared 'world year of physics' to celebrate the three remarkable breakthroughs made by Albert Einstein in 1905. However, it is not so well known that Einstein's work on Brownian motion - the random motion of tiny particles first observed and investigated by the botanist Robert Brown in 1827 - has been cited more times in the scientific literature than his more famous papers on special relativity and the quantum nature of light. In a series of publications that included his doctoral thesis, Einstein derived an equation for Brownian motion from microscopic principles - a feat that ultimately enabled Jean Perrin and others to prove the existence of atoms (see 'Einstein's random walk' Physics World January pp19-22). Einstein was not the only person thinking about this type of problem. The 27 July 1905 issue of Nature contained a letter with the title 'The problem of the random walk' by the British statistician Karl Pearson, who was interested in the way that mosquitoes spread malaria, which he showed was described by the well-known diffusion equation. As such, the displacement of a mosquito from its initial position is proportional to the square root of time, and the distribution of the positions of many such 'random walkers' starting from the same origin is Gaussian in form. The random walk has since turned out to be intimately linked to Einstein's work on Brownian motion, and has become a major tool for understanding diffusive processes in nature. (U.K.)

Dynamic disorder in single-molecule Michaelis-Menten kinetics: The reaction-diffusion formalism in the Wilemski-Fixman approximation

Science.gov (United States)

Chaudhury, Srabanti; Cherayil, Binny J.

2007-09-01

Single-molecule equations for the Michaelis-Menten [Biochem. Z. 49, 333 (1913)] mechanism of enzyme action are analyzed within the Wilemski-Fixman [J. Chem. Phys. 58, 4009 (1973); 60, 866 (1974)] approximation after the effects of dynamic disorder—modeled by the anomalous diffusion of a particle in a harmonic well—are incorporated into the catalytic step of the reaction. The solution of the Michaelis-Menten equations is used to calculate the distribution of waiting times between successive catalytic turnovers in the enzyme β-galactosidase. The calculated distribution is found to agree qualitatively with experimental results on this enzyme obtained at four different substrate concentrations. The calculations are also consistent with measurements of correlations in the fluctuations of the fluorescent light emitted during the course of catalysis, and with measurements of the concentration dependence of the randomness parameter.

Anomalous output characteristic shift for the n-type lateral diffused metal-oxide-semiconductor transistor with floating P-top layer

International Nuclear Information System (INIS)

Liu, Siyang; Zhang, Chunwei; Sun, Weifeng; Su, Wei; Wang, Shaorong; Ma, Shulang; Huang, Yu

2014-01-01

Anomalous output characteristic shift of the n-type lateral diffused metal-oxide-semiconductor transistor with floating P-top layer is investigated. It shows that the linear drain current has obvious decrease when the output characteristic of fresh device is measured for two consecutive times. The charge pumping experiments demonstrate that the decrease is not from hot-carrier degradation. The reduction of cross section area for the current flowing, which results from the squeezing of the depletion region surrounding the P-top layer, is responsible for the shift. Consequently, the current capability of this special device should be evaluated by the second measured output characteristic

Anomalous output characteristic shift for the n-type lateral diffused metal-oxide-semiconductor transistor with floating P-top layer

Energy Technology Data Exchange (ETDEWEB)

Liu, Siyang; Zhang, Chunwei; Sun, Weifeng, E-mail: swffrog@seu.edu.cn [National ASIC System Engineering Research Center, Southeast University, Nanjing 210096 (China); Su, Wei; Wang, Shaorong; Ma, Shulang; Huang, Yu [CSMC Technologies Corporation, Wuxi 214061 (China)

2014-04-14

Anomalous output characteristic shift of the n-type lateral diffused metal-oxide-semiconductor transistor with floating P-top layer is investigated. It shows that the linear drain current has obvious decrease when the output characteristic of fresh device is measured for two consecutive times. The charge pumping experiments demonstrate that the decrease is not from hot-carrier degradation. The reduction of cross section area for the current flowing, which results from the squeezing of the depletion region surrounding the P-top layer, is responsible for the shift. Consequently, the current capability of this special device should be evaluated by the second measured output characteristic.

Effects of surface and interface scattering on anomalous Hall effect in Co/Pd multilayers

KAUST Repository

Guo, Zaibing

2012-09-27

In this paper, we report the results of surface and interface scattering on anomalous Hall effect in Co/Pd multilayers with perpendicular magnetic anisotropy. The surface scattering effect has been extracted from the total anomalous Hall effect. By scaling surface scattering contribution with ρAHs∼ργss, the exponent γ has been found to decrease with the increase of surface scattering resistivity, which could account for the thickness-dependent anomalous Hall effect. Interface diffusion induced by rapid thermal annealing modifies not only the magnetization and longitudinal resistivity but also the anomalous Hall effect; a large exponent γ ∼ 5.7 has been attributed to interface scattering-dominated anomalous Hall effect.

Anomalous energy transport in hot plasmas: solar corona and Tokamak

International Nuclear Information System (INIS)

Beaufume, P.

1992-04-01

Anomalous energy transport is studied in two hot plasmas and appears to be associated with a heating of the solar corona and with a plasma deconfining process in tokamaks. The magnetic structure is shown to play a fundamental role in this phenomenon through small scale instabilities which are modelized by means of a nonlinear dynamical system: the Beasts' Model. Four behavior classes are found for this system, which are automatically classified in the parameter space thanks to a neural network. We use a compilation of experimental results relative to the solar corona to discuss current-based heating processes. We find that a simple Joule effect cannot provide the required heating rates, and therefore propose a dimensional model involving a resistive reconnective instability which leads to an efficient and discontinuous heating mechanism. Results are in good agreement with the observations. We give an analytical expression for a diffusion coefficient in tokamaks when magnetic turbulence is perturbing the topology, which we validate thanks to the standard mapping. A realistic version of the Beasts' Model allows to test a candidate to anomalous transport: the thermal filamentation instability

A classical picture of anomalous effects in a tokamak

International Nuclear Information System (INIS)

Hirano, K.

1984-01-01

It is demonstrated that the atomic collisions between plasma ions and a very small amount of neutral particles remaining in a hot plasma plays a very important role for plasma transports and may be an origin of anomalous effects observed in a tokamak such as the diffusion coefficient independent of the field strength, a rapid plasma density increase during gas puffing and current penetration with anomalously high speed in the start-up phase. The Ohm's law derived by Cowling is used for the analysis. (author)

Anomalous diffusion in a symbolic model

International Nuclear Information System (INIS)

Ribeiro, H V; Lenzi, E K; Mendes, R S; Santoro, P A

2011-01-01

In this work, we investigate some statistical properties of symbolic sequences generated by a numerical procedure in which the symbols are repeated following the power-law probability density. In this analysis, we consider that the sum of n symbols represents the position of a particle in erratic movement. This approach reveals a rich diffusive scenario characterized by non-Gaussian distribution and, depending on the power-law exponent or the procedure used to build the walker, we may have superdiffusion, subdiffusion or usual diffusion. Additionally, we use the continuous-time random walk framework to compare the analytic results with the numerical data, thereby finding good agreement. Because of its simplicity and flexibility, this model can be a candidate for describing real systems governed by power-law probability densities.

Normal versus anomalous self-diffusion in two-dimensional fluids: Memory function approach and generalized asymptotic Einstein relation

Science.gov (United States)

Shin, Hyun Kyung; Choi, Bongsik; Talkner, Peter; Lee, Eok Kyun

2014-12-01

Based on the generalized Langevin equation for the momentum of a Brownian particle a generalized asymptotic Einstein relation is derived. It agrees with the well-known Einstein relation in the case of normal diffusion but continues to hold for sub- and super-diffusive spreading of the Brownian particle's mean square displacement. The generalized asymptotic Einstein relation is used to analyze data obtained from molecular dynamics simulations of a two-dimensional soft disk fluid. We mainly concentrated on medium densities for which we found super-diffusive behavior of a tagged fluid particle. At higher densities a range of normal diffusion can be identified. The motion presumably changes to sub-diffusion for even higher densities.

Multicomponent diffusion in molten salt NaF-ZrF{sub 4}: Dynamical correlations and Maxwell–Stefan diffusivities

Energy Technology Data Exchange (ETDEWEB)

Baig, Mohammad Saad, E-mail: saad110baig@gmail.com; Chakraborty, Brahmananda; Ramaniah, Lavanya M. [High Pressure & Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-85 (India)

2016-05-23

NaF-ZrF{sub 4} is used as a waste incinerator and as a coolant in Generation IV reactors.Structural and dynamical properties of molten NaF-ZrF{sub 4} system were studied along with Onsagercoefficients and Maxwell–Stefan (MS) Diffusivities applying Green–Kubo formalism and molecular dynamics (MD) simulations. The zirconium ions are found to be 8 fold coordinated with fluoride ions for all temperatures and concentrations. All the diffusive flux correlations show back-scattering. Even though the MS diffusivities are expected to depend very lightly on the composition because of decoupling of thermodynamic factor, the diffusivity Đ{sub Na-F} shows interesting behavior with the increase in concentration of ZrF{sub 4}. This is because of network formation in NaF-ZrF{sub 4}. Positive entropy constraints have been plotted to authenticate negative diffusivities observed.

A new model of anomalous phosphorus diffusion in silicon

International Nuclear Information System (INIS)

Budil, M.; Poetzl, H.; Stingeder, G.; Grasserbauer, M.

1989-01-01

A model is presented to describe the 'kink and tail' diffusion of phosphorus. The diffusion behaviour of phosphorus is expplained by the motion of phosphorus-interstitial and phosphorus-vacancy pairs in different charge states. The model yields the enhancement of diffusion in the tail region depending on surface concentration. Furthermore it yields the same selfdiffusion coefficient for interstitials as the gold diffusion experiments. A transformation of the diffusion equation was found to reduce the number of simulation equations. (author) 7 refs., 5 figs

Anomalous growth of Ba on Ag(111)

International Nuclear Information System (INIS)

Teodoro, O.M.N.D.; Los, J.; Moutinho, A.M.C.

2002-01-01

Electropositive elements are often adsorbed on metals to produce a well-known decrease in the surface work function. During deposition, the work function drops steeply and reaches a minimum at coverage lower than one monolayer. Then, it increases slightly and the work function converges to the value of the deposited element. In this work, we report anomalous behavior found during the deposition of barium on a Ag(111) surface. After a minimum of about 2.4 eV the work function did not increase up to 2.7 eV, the bulk barium work function, no matter what amount of barium was deposited. Auger electron spectroscopy corroborated these results in which we measured a permanent and constant intensity of the Ag MNN peak for high barium coverage. To explain this anomalous growth of barium on Ag(111) we propose an explanation based on the diffusion of silver atoms into the barium film. Further experiments showed that coadsorption of oxygen before a second deposition of barium blocked the diffusion thus allowing the work function to reach 2.7 eV

Biophysical dynamics in disorderly environments.

Science.gov (United States)

Nelson, David R

2012-01-01

Three areas where time-independent disorder plays a key role in biological dynamics far from equilibrium are reviewed. We first discuss the anomalous localization dynamics that arises when a single species spreads in space and time via diffusion and fluid advection in the presence of frozen heterogeneities in the growth rate. Next we treat the unzipping of double-stranded DNA as a function of force and temperature, a challenge that must be surmounted every time a cell divides. Heterogeneity in the DNA sequence dominates the physics of single-molecule force-extension curves for a broad range of forces upon approaching a sharp unzipping transition. The dynamics of the unzipping fork exhibits anomalous drift and diffusion in a similar range above this transition, with energy barriers that scale as the square root of the genome size. Finally, we describe how activated peptidoglycan strand extension sites, called dislocations in materials science, can mediate the growth of bacterial cell walls. Enzymatically driven circumferential motions of a few dozen of these defects are sufficient to describe the exponential elongation rates observed in experiments on Escherichia coli in a nutrient-rich environment. However, long-range elastic forces transmitted by the peptidoglycan meshwork cause the moving dislocations to interact not only with each other, but also with a disorderly array of frozen, inactivated strand ends.

Feynman-Kac equations for reaction and diffusion processes

Science.gov (United States)

Hou, Ru; Deng, Weihua

2018-04-01

This paper provides a theoretical framework for deriving the forward and backward Feynman-Kac equations for the distribution of functionals of the path of a particle undergoing both diffusion and reaction processes. Once given the diffusion type and reaction rate, a specific forward or backward Feynman-Kac equation can be obtained. The results in this paper include those for normal/anomalous diffusions and reactions with linear/nonlinear rates. Using the derived equations, we apply our findings to compute some physical (experimentally measurable) statistics, including the occupation time in half-space, the first passage time, and the occupation time in half-interval with an absorbing or reflecting boundary, for the physical system with anomalous diffusion and spontaneous evanescence.

Bulk-mediated surface diffusion: non-Markovian desorption dynamics

International Nuclear Information System (INIS)

Revelli, Jorge A; Budde, Carlos E; Prato, Domingo; Wio, Horacio S

2005-01-01

Here we analyse the dynamics of adsorbed molecules within the bulk-mediated surface diffusion framework, when the particle's desorption mechanism is characterized by a non-Markovian process, while the particle's adsorption as well as its motion in the bulk is governed by Markovian dynamics. We study the diffusion of particles in both semi-infinite and finite cubic lattices, analysing the conditional probability to find the system on the reference absorptive plane as well as the surface dispersion as functions of time. The results are compared with known Markovian cases showing the differences that can be exploited to distinguish between Markovian and non-Markovian desorption mechanisms in experimental situations

Application of the multi-rate diffusion approach in tracer test studies at Aespoe HRL. Final report

International Nuclear Information System (INIS)

Haggerty, R.

1999-11-01

This report summarizes an investigation into heterogeneous diffusivity and associated parameters within granitic rocks at the Aespoe Hard Rock Laboratory (HRL). Our tasks for this investigation were: (1) to assess the potential for either anomalous or multi-rate diffusion within Aespoe rocks; (2) to evaluate existing data relating to anomalous and multi-rate diffusion within Aespoe rocks; (3) to perform scoping calculations in support of a Long Term Diffusion Experiment (LTDE) design; and (4) to begin developing a mathematical and computer model for solute advection in the presence of anomalous matrix diffusion. In addition to carrying out these tasks, we also report on (5) the late-time behavior of breakthrough curves. First, in regard to the potential for anomalous and multi-rate diffusion and analyses of existing data, we find that (1) in a literature review of 100 column experiments in various types of rock and sediment, rate coefficients decrease with experimental observation time. This is precisely what would be expected of both multi-rate and anomalous diffusion. (2) Three sets of through-diffusion experiments in Fenno-Scandian granitic rock found decreasing effective diffusivity, D e , with sample length, while one set did not. (3) Based on diffusivity and sorption data, and speculation on matrix block size variability, the total variability of D a /a 2 may reasonably be expected to exceed 4 orders of magnitude. (4) Analyses of two-well tracer data completed to date are ambiguous with respect to multi-rate diffusion. Analyses of TRUE data are currently underway and may support multi-rate diffusion. Second, in regard to the potential consequences of multi-rate and anomalous diffusion on nuclear waste disposal, we found the following key points: (1) No single value of diffusivity can represent the diffusion process at all time- or length-scales if diffusion is truly anomalous, while a single value of diffusivity will represent diffusion adequately for some

Application of the multi-rate diffusion approach in tracer test studies at Aespoe HRL. Final report

Energy Technology Data Exchange (ETDEWEB)

Haggerty, R. [Oregon State Univ., Corvallis, OR (United States). Dept. of Geosciences

1999-11-01

This report summarizes an investigation into heterogeneous diffusivity and associated parameters within granitic rocks at the Aespoe Hard Rock Laboratory (HRL). Our tasks for this investigation were: (1) to assess the potential for either anomalous or multi-rate diffusion within Aespoe rocks; (2) to evaluate existing data relating to anomalous and multi-rate diffusion within Aespoe rocks; (3) to perform scoping calculations in support of a Long Term Diffusion Experiment (LTDE) design; and (4) to begin developing a mathematical and computer model for solute advection in the presence of anomalous matrix diffusion. In addition to carrying out these tasks, we also report on (5) the late-time behavior of breakthrough curves. First, in regard to the potential for anomalous and multi-rate diffusion and analyses of existing data, we find that (1) in a literature review of 100 column experiments in various types of rock and sediment, rate coefficients decrease with experimental observation time. This is precisely what would be expected of both multi-rate and anomalous diffusion. (2) Three sets of through-diffusion experiments in Fenno-Scandian granitic rock found decreasing effective diffusivity, D{sub e}, with sample length, while one set did not. (3) Based on diffusivity and sorption data, and speculation on matrix block size variability, the total variability of D{sub a}/a{sup 2} may reasonably be expected to exceed 4 orders of magnitude. (4) Analyses of two-well tracer data completed to date are ambiguous with respect to multi-rate diffusion. Analyses of TRUE data are currently underway and may support multi-rate diffusion. Second, in regard to the potential consequences of multi-rate and anomalous diffusion on nuclear waste disposal, we found the following key points: (1) No single value of diffusivity can represent the diffusion process at all time- or length-scales if diffusion is truly anomalous, while a single value of diffusivity will represent diffusion

Four-fermi anomalous dimension with adjoint fermions

CERN Document Server

Del Debbio, Luigi; Ruano, Carlos Pena

2014-01-01

The four-fermi interaction can play an important role in models of strong dynamical EW sym- metry breaking if the anomalous dimensions of the four-fermi operators become large in the IR. We discuss a number of issues that are relevant for the nonperturbative computation of the four- fermi anomalous dimensions for the SU(2) gauge theory with two flavors of Dirac fermions in the adjoint representation, using a Schrödinger functional formalism.

Macromolecular crowding gives rise to microviscosity, anomalous diffusion and accelerated actin polymerization.

Science.gov (United States)

Rashid, Rafi; Chee, Stella Min Ling; Raghunath, Michael; Wohland, Thorsten

2015-04-30

Macromolecular crowding (MMC) has been used in various in vitro experimental systems to mimic in vivo physiology. This is because the crowded cytoplasm of cells contains many different types of solutes dissolved in an aqueous medium. MMC in the extracellular microenvironment is involved in maintaining stem cells in their undifferentiated state (niche) as well as in aiding their differentiation after they have travelled to new locations outside the niche. MMC at physiologically relevant fractional volume occupancies (FVOs) significantly enhances the adipogenic differentiation of human bone marrow-derived mesenchymal stem cells during chemically induced adipogenesis. The mechanism by which MMC produces this enhancement is not entirely known. In the context of extracellular collagen deposition, we have recently reported the importance of optimizing the FVO while minimizing the bulk viscosity. Two opposing properties will determine the net rate of a biochemical reaction: the negative effect of bulk viscosity and the positive effect of the excluded volume, the latter being expressed by the FVO. In this study we have looked more closely at the effect of viscosity on reaction rates. We have used fluorimetry to measure the rate of actin polymerization and fluorescence correlation spectroscopy (FCS) to measure diffusion of various probes in solutions containing the crowder Ficoll at physiological concentrations. Similar to its effect on collagen, Ficoll enhanced the actin polymerization rate despite increasing the bulk viscosity. Our FCS measurements reveal a relatively minor component of anomalous diffusion. In addition, our measurements do suggest that microviscosity becomes relevant in a crowded environment. We ruled out bulk viscosity as a cause of the rate enhancement by performing the actin polymerization assay in glycerol. These opposite effects of Ficoll and glycerol led us to conclude that microviscosity becomes relevant at the length scale of the reacting

Macromolecular crowding gives rise to microviscosity, anomalous diffusion and accelerated actin polymerization

Science.gov (United States)

Rashid, Rafi; Chee, Stella Min Ling; Raghunath, Michael; Wohland, Thorsten

2015-05-01

Macromolecular crowding (MMC) has been used in various in vitro experimental systems to mimic in vivo physiology. This is because the crowded cytoplasm of cells contains many different types of solutes dissolved in an aqueous medium. MMC in the extracellular microenvironment is involved in maintaining stem cells in their undifferentiated state (niche) as well as in aiding their differentiation after they have travelled to new locations outside the niche. MMC at physiologically relevant fractional volume occupancies (FVOs) significantly enhances the adipogenic differentiation of human bone marrow-derived mesenchymal stem cells during chemically induced adipogenesis. The mechanism by which MMC produces this enhancement is not entirely known. In the context of extracellular collagen deposition, we have recently reported the importance of optimizing the FVO while minimizing the bulk viscosity. Two opposing properties will determine the net rate of a biochemical reaction: the negative effect of bulk viscosity and the positive effect of the excluded volume, the latter being expressed by the FVO. In this study we have looked more closely at the effect of viscosity on reaction rates. We have used fluorimetry to measure the rate of actin polymerization and fluorescence correlation spectroscopy (FCS) to measure diffusion of various probes in solutions containing the crowder Ficoll at physiological concentrations. Similar to its effect on collagen, Ficoll enhanced the actin polymerization rate despite increasing the bulk viscosity. Our FCS measurements reveal a relatively minor component of anomalous diffusion. In addition, our measurements do suggest that microviscosity becomes relevant in a crowded environment. We ruled out bulk viscosity as a cause of the rate enhancement by performing the actin polymerization assay in glycerol. These opposite effects of Ficoll and glycerol led us to conclude that microviscosity becomes relevant at the length scale of the reacting

Improved formulas for trapped-ion anomalous transport in tokamaks without and with shear

International Nuclear Information System (INIS)

Sardei, F.; Wimmel, H.K.

1980-12-01

More refined numerical calculations of trapped-ion anomalous transport in a 2-D slab, trapped-fluid model suggest an anomalous diffusion coefficient D approx. 3.5 x 10 -2 delta 0 a 2 νsub(i)sup(e)sup(f)sup(f) for a tokamak plasma without shear. This supersedes earlier results. The new formula is independently confirmed by two different analytical calculations. One of them uses a similarity analysis of unabridged Kadomtsev-Pogutse-type trapped-fluid equations and the multiperiodic spatial structure of the saturated trapped-ion wave found in both the earlier and the recent numerical calculations. The other calculation yields a class of exact nonlinear solutions of the trapped-fluid equations. The new shearless result is used to derive the anomalous diffusion with shear effect by a method described in an earlier paper. The new transport formulas have been numerically evaluated for several tokamaks in an IPP report, where the results are shown in graph form. (orig.)

Spatiotemporal chaos in the dynamics of buoyantly and diffusively unstable chemical fronts

Science.gov (United States)

Baroni, M. P. M. A.; Guéron, E.; De Wit, A.

2012-03-01

Nonlinear dynamics resulting from the interplay between diffusive and buoyancy-driven Rayleigh-Taylor (RT) instabilities of autocatalytic traveling fronts are analyzed numerically for various values of the relevant parameters. These are the Rayleigh numbers of the reactant A and autocatalytic product B solutions as well as the ratio D =DB/DA between the diffusion coefficients of the two key chemical species. The interplay between the coarsening dynamics characteristic of the RT instability and the constant short wavelength modulation of the diffusive instability can lead in some regimes to complex dynamics dominated by irregular succession of birth and death of fingers. By using spectral entropy measurements, we characterize the transition between order and spatial disorder in this system. The analysis of the power spectrum and autocorrelation function, moreover, identifies similarities between the various spatial patterns. The contribution of the diffusive instability to the complex dynamics is discussed.

Variable-order fractional MSD function to describe the evolution of protein lateral diffusion ability in cell membranes

Science.gov (United States)

Yin, Deshun; Qu, Pengfei

2018-02-01

Protein lateral diffusion is considered anomalous in the plasma membrane. And this diffusion is related to membrane microstructure. In order to better describe the property of protein lateral diffusion and find out the inner relationship between protein lateral diffusion and membrane microstructure, this article applies variable-order fractional mean square displacement (f-MSD) function for characterizing the anomalous diffusion. It is found that the variable order can reflect the evolution of diffusion ability. The results of numerical simulation demonstrate variable-order f-MSD function can predict the tendency of anomalous diffusion during the process of confined diffusion. It is also noted that protein lateral diffusion ability during the processes of confined and hop diffusion can be split into three parts. In addition, the comparative analyses reveal that the variable order is related to the confinement-domain size and microstructure of compartment boundary too.

Anomalous water absorption in porous materials

CERN Document Server

Lockington, D A

2003-01-01

The absorption of fluid by unsaturated, rigid porous materials may be characterized by the sorptivity. This is a simple parameter to determine and is increasingly being used as a measure of a material's resistance to exposure to fluids (especially moisture and reactive solutes) in aggressive environments. The complete isothermal absorption process is described by a nonlinear diffusion equation, with the hydraulic diffusivity being a strongly nonlinear function of the degree of saturation of the material. This diffusivity can be estimated from the sorptivity test. In a typical test the cumulative absorption is proportional to the square root of time. However, a number of researchers have observed deviation from this behaviour when the infiltrating fluid is water and there is some potential for chemo-mechanical interaction with the material. In that case the current interpretation of the test and estimation of the hydraulic diffusivity is no longer appropriate. Kuentz and Lavallee (2001) discuss the anomalous b...

Dynamics of the Gay-Berne fluid

International Nuclear Information System (INIS)

de Miguel, E.; Rull, L.F.; Gubbins, K.E.

1992-01-01

Using molecular-dynamics computer simulation, we study the dynamical behavior of the isotropic and nematic phases of highly anisotropic molecular fluids. The interactions are modeled by means of the Gay-Berne potential with anisotropy parameters κ=3 and κ'=5. The linear-velocity autocorrelation function shows no evidence of a negative region in the isotropic phase, even at the higher densities considered. The self-diffusion coefficient parallel to the molecular axis shows an anomalous increase with density as the system enters the nematic region. This enhancement in parallel diffusion is also observed in the isotropic side of the transition as a precursor effect. The molecular reorientation is discussed in the light of different theoretical models. The Debye diffusion model appears to explain the reorientational mechanism in the nematic phase. None of the models gives a satisfactory account of the reorientation process in the isotropic phase

Solutions for a diffusion equation with a backbone term

International Nuclear Information System (INIS)

Tateishi, A A; Lenzi, E K; Ribeiro, H V; Evangelista, L R; Mendes, R S; Da Silva, L R

2011-01-01

We investigate the diffusion equation ∂ t ρ=D y ∂ y 2 ρ+D x ∂ x 2 ρ+ D-bar x δ(y)∂ x μ ρ subjected to the boundary conditions ρ(±∞,y;t)=0 and ρ(x,±∞;t)=0, and the initial condition ρ(x,y;0)= ρ-hat (x,y). We obtain exact solutions in terms of the Green function approach and analyze the mean square displacement in the x and y directions. This analysis shows an anomalous spreading of the system which is characterized by different diffusive regimes connected to anomalous diffusion

On the role of quantum ion dynamics for the anomalous melting of lithium

Science.gov (United States)

Elatresh, Sabri; Bonev, Stanimir

2011-03-01

Lithium has attracted a lot of interest in relation to a number of counterintuitive electronic and structural changes that it exhibits under pressure. One of the most remarkable properties of dense lithium is its anomalous melting. This behavior was first predicted theoretically based on first-principles molecular dynamics (FPMD) simulations, which treated the ions classically. The lowest melting temperature was determined to be about 275~K at 65~GPa. Recent experiments measured a melting temperature about 100~K lower at the same pressure. In this talk, we will present FPMD calculations of solid and liquid lithium free energies up to 100 GPa that take into account ion quantum dynamics. We examine the significance of the quantum effects for the finite-temperature phase boundaries of lithium and, in particular, its melting curve. Work supported by NSERC, Acenet, and LLNL under Contract DE-AC52-07NA27344.

Diffusion in reactor materials

International Nuclear Information System (INIS)

Fedorov, G.B.; Smirnov, E.A.

1984-01-01

The monograph contains a brief description of the principles underlying the theory of diffusion, as well as modern methods of studying diffusion. Data on self-diffusion and diffusion of impurities in a nuclear fuel and fissionable materials (uranium, plutonium, thorium, zirconium, titanium, hafnium, niobium, molybdenum, tungsten, beryllium, etc.) is presented. Anomalous diffusion, diffusion of components, and interdiffusion in binary and ternary alloys were examined. The monograph presents the most recent reference material on diffusion. It is intended for a wide range of researchers working in the field of diffusion in metals and alloys and attempting to discover new materials for application in nuclear engineering. It will also be useful for teachers, research scholars and students of physical metallurgy

COOPERATIVITY, CAGE EFFECT AND HOPPING DIFFUSION IN SUPERCOOLED LIQUIDS AND GLASSES

Directory of Open Access Journals (Sweden)

A.S.Bakai

2003-01-01

Full Text Available Molecular dynamic simulations of structure, thermodynamic and kinetic properties of model metallic Ag-Cu alloy are performed to elucidate its behavior at glass transition. In spite of small variations of inherent structure of the alloy the relaxation kinetics undergo dramatic changes at the glass transition. The time dependences of the mean square displacements and the non-Gaussianity parameter show the signs of anomalous diffusion in an intermediate time region. The analysis of time evolution of van Hove correlation function indicates the existence of both jump displacements and short-range cooperative atomic rearrangements. Below Tg these cooperative rearrangements do not contribute to a long-range diffusion but they still dominate the relaxation at short time.

Edge Plasma Simulations in NSTX and CTF: Synergy of Lithium Coating, Non-Diffusive Anomalous Transport and Drifts. Final Technical Report

International Nuclear Information System (INIS)

Pigarov, Alexander

2012-01-01

This is the final report for the Research Grant DE-FG02-08ER54989 'Edge Plasma Simulations in NSTX and CTF: Synergy of Lithium Coating, Non-Diffusive Anomalous Transport and Drifts'. The UCSD group including: A.Yu. Pigarov (PI), S.I. Krasheninnikov and R.D. Smirnov, was working on modeling of the impact of lithium coatings on edge plasma parameters in NSTX with the multi-species multi-fluid code UEDGE. The work was conducted in the following main areas: (i) improvements of UEDGE model for plasma-lithium interactions, (ii) understanding the physics of low-recycling divertor regime in NSTX caused by lithium pumping, (iii) study of synergistic effects with lithium coatings and non-diffusive ballooning-like cross-field transport, (iv) simulation of experimental multi-diagnostic data on edge plasma with lithium pumping in NSTX via self-consistent modeling of D-Li-C plasma with UEDGE, and (v) working-gas balance analysis. The accomplishments in these areas are given in the corresponding subsections in Section 2. Publications and presentations made under the Grant are listed in Section 3.

Diffusion dynamics in micro-fluidic dye lasers

DEFF Research Database (Denmark)

Gersborg-Hansen, Morten; Balslev, Søren; Mortensen, Niels Asger

2007-01-01

We have investigated the bleaching dynamics that occur in opto-fluidic dye lasers, where the liquid laser dye in a channel is locally bleached due to optical pumping. Our studies suggest that for micro-fluidic devices, the dye bleaching may be compensated through diffusion of dye molecules alone....... By relying on diffusion rather than convection to generate the necessary dye replenishment, our observation potentially allows for a significant simplification of opto-fluidic dye laser device layouts, omitting the need for cumbersome and costly external fluidic handling or on-chip micro-fluidic pumping...

Soft tissue deformation modelling through neural dynamics-based reaction-diffusion mechanics.

Science.gov (United States)

Zhang, Jinao; Zhong, Yongmin; Gu, Chengfan

2018-05-30

Soft tissue deformation modelling forms the basis of development of surgical simulation, surgical planning and robotic-assisted minimally invasive surgery. This paper presents a new methodology for modelling of soft tissue deformation based on reaction-diffusion mechanics via neural dynamics. The potential energy stored in soft tissues due to a mechanical load to deform tissues away from their rest state is treated as the equivalent transmembrane potential energy, and it is distributed in the tissue masses in the manner of reaction-diffusion propagation of nonlinear electrical waves. The reaction-diffusion propagation of mechanical potential energy and nonrigid mechanics of motion are combined to model soft tissue deformation and its dynamics, both of which are further formulated as the dynamics of cellular neural networks to achieve real-time computational performance. The proposed methodology is implemented with a haptic device for interactive soft tissue deformation with force feedback. Experimental results demonstrate that the proposed methodology exhibits nonlinear force-displacement relationship for nonlinear soft tissue deformation. Homogeneous, anisotropic and heterogeneous soft tissue material properties can be modelled through the inherent physical properties of mass points. Graphical abstract Soft tissue deformation modelling with haptic feedback via neural dynamics-based reaction-diffusion mechanics.

Dynamics Of Innovation Diffusion With Two Step Decision Process

Directory of Open Access Journals (Sweden)

Szymczyk Michał

2014-02-01

Full Text Available The paper discusses the dynamics of innovation diffusion among heterogeneous consumers. We assume that customers’ decision making process is divided into two steps: testing the innovation and later potential adopting. Such a model setup is designed to imitate the mobile applications market. An innovation provider, to some extent, can control the innovation diffusion by two parameters: product quality and marketing activity. Using the multi-agent approach we identify factors influencing the saturation level and the speed of innovation adaptation in the artificial population. The results show that the expected level of innovation adoption among customer’s friends and relative product quality and marketing campaign intensity are crucial factors explaining them. It has to be stressed that the product quality is more important for innovation saturation level and marketing campaign has bigger influence on the speed of diffusion. The topology of social network between customers is found important, but within investigated parameter range it has lover impact on innovation diffusion dynamics than the above mentioned factors

Pattern dynamics of the reaction-diffusion immune system.

Science.gov (United States)

Zheng, Qianqian; Shen, Jianwei; Wang, Zhijie

2018-01-01

In this paper, we will investigate the effect of diffusion, which is ubiquitous in nature, on the immune system using a reaction-diffusion model in order to understand the dynamical behavior of complex patterns and control the dynamics of different patterns. Through control theory and linear stability analysis of local equilibrium, we obtain the optimal condition under which the system loses stability and a Turing pattern occurs. By combining mathematical analysis and numerical simulation, we show the possible patterns and how these patterns evolve. In addition, we establish a bridge between the complex patterns and the biological mechanism using the results from a previous study in Nature Cell Biology. The results in this paper can help us better understand the biological significance of the immune system.

Global dynamics of a nonlocal delayed reaction-diffusion equation on a half plane

Science.gov (United States)

Hu, Wenjie; Duan, Yueliang

2018-04-01

We consider a delayed reaction-diffusion equation with spatial nonlocality on a half plane that describes population dynamics of a two-stage species living in a semi-infinite environment. A Neumann boundary condition is imposed accounting for an isolated domain. To describe the global dynamics, we first establish some a priori estimate for nontrivial solutions after investigating asymptotic properties of the nonlocal delayed effect and the diffusion operator, which enables us to show the permanence of the equation with respect to the compact open topology. We then employ standard dynamical system arguments to establish the global attractivity of the nontrivial equilibrium. The main results are illustrated by the diffusive Nicholson's blowfly equation and the diffusive Mackey-Glass equation.

A dynamic Monte Carlo study of anomalous current voltage behaviour in organic solar cells

International Nuclear Information System (INIS)

Feron, K.; Fell, C. J.; Zhou, X.; Belcher, W. J.; Dastoor, P. C.

2014-01-01

We present a dynamic Monte Carlo (DMC) study of s-shaped current-voltage (I-V) behaviour in organic solar cells. This anomalous behaviour causes a substantial decrease in fill factor and thus power conversion efficiency. We show that this s-shaped behaviour is induced by charge traps that are located at the electrode interface rather than in the bulk of the active layer, and that the anomaly becomes more pronounced with increasing trap depth or density. Furthermore, the s-shape anomaly is correlated with interface recombination, but not bulk recombination, thus highlighting the importance of controlling the electrode interface. While thermal annealing is known to remove the s-shape anomaly, the reason has been not clear, since these treatments induce multiple simultaneous changes to the organic solar cell structure. The DMC modelling indicates that it is the removal of aluminium clusters at the electrode, which act as charge traps, that removes the anomalous I-V behaviour. Finally, this work shows that the s-shape becomes less pronounced with increasing electron-hole recombination rate; suggesting that efficient organic photovoltaic material systems are more susceptible to these electrode interface effects

LETTER TO THE EDITOR: Fractal diffusion coefficient from dynamical zeta functions

Science.gov (United States)

Cristadoro, Giampaolo

2006-03-01

Dynamical zeta functions provide a powerful method to analyse low-dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand, even simple one-dimensional maps can show an intricate structure of the grammar rules that may lead to a non-smooth dependence of global observables on parameters changes. A paradigmatic example is the fractal diffusion coefficient arising in a simple piecewise linear one-dimensional map of the real line. Using the Baladi-Ruelle generalization of the Milnor-Thurnston kneading determinant, we provide the exact dynamical zeta function for such a map and compute the diffusion coefficient from its smallest zero.

Structural behavior and dynamics of an anomalous fluid between attractive and repulsive walls: templating, molding, and superdiffusion.

Science.gov (United States)

Leoni, Fabio; Franzese, Giancarlo

2014-11-07

Confinement can modify the dynamics, the thermodynamics, and the structural properties of liquid water, the prototypical anomalous liquid. By considering a generic model for anomalous liquids, suitable for describing solutions of globular proteins, colloids, or liquid metals, we study by molecular dynamics simulations the effect that an attractive wall with structure and a repulsive wall without structure have on the phases, the crystal nucleation, and the dynamics of the fluid. We find that at low temperatures the large density of the attractive wall induces a high-density, high-energy structure in the first layer ("templating" effect). In turn, the first layer induces a "molding" effect on the second layer determining a structure with reduced energy and density, closer to the average density of the system. This low-density, low-energy structure propagates further through the layers by templating effect and can involve all the existing layers at the lowest temperatures investigated. Therefore, although the high-density, high-energy structure does not self-reproduce further than the first layer, the structured wall can have a long-range influence thanks to a sequence of templating, molding, and templating effects through the layers. We find that the walls also have an influence on the dynamics of the liquid, with a stronger effect near the attractive wall. In particular, we observe that the dynamics is largely heterogeneous (i) among the layers, as a consequence of the sequence of structures caused by the walls presence, and (ii) within the same layer, due to superdiffusive liquid veins within a frozen matrix of particles near the walls at low temperature and high density. Hence, the partial freezing of the first layer does not correspond necessarily to an effective reduction of the channel's section in terms of transport properties, as suggested by other authors.

Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals.

Science.gov (United States)

Plimpton, Steven James

Diffusion is a microscopic mass transport mechanism that underlies many important macroscopic phenomena affecting the structural, electrical, and mechanical properties of metals. This thesis presents results from atomistic simulation studies of diffusion both in bulk and in the fast diffusion paths known as grain boundaries. Using the principles of molecular dynamics single boundaries are studied and their structure and dynamic properties characterized. In particular, tilt boundary bicrystal and bulk models of fcc Al and bcc alpha-Fe are simulated. Diffusion coefficients and activation energies for atomic motion are calculated for both models and compared to experimental data. The influence of the interatomic pair potential on the diffusion is studied in detail. A universal relation between the melting temperature that a pair potential induces in a simulated bulk model and the potential energy barrier height for atomic hopping is derived and used to correlate results for a wide variety of pair potentials. Using these techniques grain boundary and bulk diffusion coefficients for any fcc material can be estimated from simple static calculations without the need to perform more time-consuming dynamic simulations. The influences of two other factors on grain boundary diffusion are also studied because of the interest of the microelectronics industry in the diffusion related reliability problem known as electromigration. The first factor, known to affect the self diffusion rate of Al, is the presence of Cu impurity atoms in Al tilt boundaries. The bicrystal model for Al is seeded randomly with Cu atoms and a simple hybrid Morse potential used to model the Al-Cu interaction. While some effect due to the Cu is noted, it is concluded that pair potentials are likely an inadequate approximation for the alloy system. The second factor studied is the effect of the boundary orientation angle on the diffusion rate. Symmetric bcc Fe boundaries are relaxed to find optimal

Single-particle tracking: applications to membrane dynamics.

Science.gov (United States)

Saxton, M J; Jacobson, K

1997-01-01

Measurements of trajectories of individual proteins or lipids in the plasma membrane of cells show a variety of types of motion. Brownian motion is observed, but many of the particles undergo non-Brownian motion, including directed motion, confined motion, and anomalous diffusion. The variety of motion leads to significant effects on the kinetics of reactions among membrane-bound species and requires a revision of existing views of membrane structure and dynamics.

Anomalous Brownian motion of colloidal particle in a nematic environment: effect of the director fluctuations

Directory of Open Access Journals (Sweden)

T. Turiv

2015-06-01

Full Text Available As recently reported [Turiv T. et al., Science, 2013, Vol. 342, 1351], fluctuations in the orientation of the liquid crystal (LC director can transfer momentum from the LC to a colloid, such that the diffusion of the colloid becomes anomalous on a short time scale. Using video microscopy and single particle tracking, we investigate random thermal motion of colloidal particles in a nematic liquid crystal for the time scales shorter than the expected time of director fluctuations. At long times, compared to the characteristic time of the nematic director relaxation we observe typical anisotropic Brownian motion with the mean square displacement (MSD linear in time τ and inversly proportional to the effective viscosity of the nematic medium. At shorter times, however, the dynamics is markedly nonlinear with MSD growing more slowly (subdiffusion or faster (superdiffusion than τ. These results are discussed in the context of coupling of colloidal particle's dynamics to the director fluctuation dynamics.

Post-processing interstitialcy diffusion from molecular dynamics simulations

Energy Technology Data Exchange (ETDEWEB)

Bhardwaj, U., E-mail: haptork@gmail.com [Computational Analysis Division, BARC, Visakhapatnam, Andhra Pradesh, 530012 (India); Bukkuru, S. [Nuclear Physics Dept., Andhra University, Visakhapatnam, 530003 (India); Warrier, M. [Computational Analysis Division, BARC, Visakhapatnam, Andhra Pradesh, 530012 (India)

2016-01-15

An algorithm to rigorously trace the interstitialcy diffusion trajectory in crystals is developed. The algorithm incorporates unsupervised learning and graph optimization which obviate the need to input extra domain specific information depending on crystal or temperature of the simulation. The algorithm is implemented in a flexible framework as a post-processor to molecular dynamics (MD) simulations. We describe in detail the reduction of interstitialcy diffusion into known computational problems of unsupervised clustering and graph optimization. We also discuss the steps, computational efficiency and key components of the algorithm. Using the algorithm, thermal interstitialcy diffusion from low to near-melting point temperatures is studied. We encapsulate the algorithms in a modular framework with functionality to calculate diffusion coefficients, migration energies and other trajectory properties. The study validates the algorithm by establishing the conformity of output parameters with experimental values and provides detailed insights for the interstitialcy diffusion mechanism. The algorithm along with the help of supporting visualizations and analysis gives convincing details and a new approach to quantifying diffusion jumps, jump-lengths, time between jumps and to identify interstitials from lattice atoms. -- Graphical abstract:.

Post-processing interstitialcy diffusion from molecular dynamics simulations

International Nuclear Information System (INIS)

Bhardwaj, U.; Bukkuru, S.; Warrier, M.

2016-01-01

An algorithm to rigorously trace the interstitialcy diffusion trajectory in crystals is developed. The algorithm incorporates unsupervised learning and graph optimization which obviate the need to input extra domain specific information depending on crystal or temperature of the simulation. The algorithm is implemented in a flexible framework as a post-processor to molecular dynamics (MD) simulations. We describe in detail the reduction of interstitialcy diffusion into known computational problems of unsupervised clustering and graph optimization. We also discuss the steps, computational efficiency and key components of the algorithm. Using the algorithm, thermal interstitialcy diffusion from low to near-melting point temperatures is studied. We encapsulate the algorithms in a modular framework with functionality to calculate diffusion coefficients, migration energies and other trajectory properties. The study validates the algorithm by establishing the conformity of output parameters with experimental values and provides detailed insights for the interstitialcy diffusion mechanism. The algorithm along with the help of supporting visualizations and analysis gives convincing details and a new approach to quantifying diffusion jumps, jump-lengths, time between jumps and to identify interstitials from lattice atoms. -- Graphical abstract:

Weak Ergodicity Breaking of Receptor Motion in Living Cells Stemming from Random Diffusivity

Science.gov (United States)

Manzo, Carlo; Torreno-Pina, Juan A.; Massignan, Pietro; Lapeyre, Gerald J.; Lewenstein, Maciej; Garcia Parajo, Maria F.

2015-01-01

Molecular transport in living systems regulates numerous processes underlying biological function. Although many cellular components exhibit anomalous diffusion, only recently has the subdiffusive motion been associated with nonergodic behavior. These findings have stimulated new questions for their implications in statistical mechanics and cell biology. Is nonergodicity a common strategy shared by living systems? Which physical mechanisms generate it? What are its implications for biological function? Here, we use single-particle tracking to demonstrate that the motion of dendritic cell-specific intercellular adhesion molecule 3-grabbing nonintegrin (DC-SIGN), a receptor with unique pathogen-recognition capabilities, reveals nonergodic subdiffusion on living-cell membranes In contrast to previous studies, this behavior is incompatible with transient immobilization, and, therefore, it cannot be interpreted according to continuous-time random-walk theory. We show that the receptor undergoes changes of diffusivity, consistent with the current view of the cell membrane as a highly dynamic and diverse environment. Simulations based on a model of an ordinary random walk in complex media quantitatively reproduce all our observations, pointing toward diffusion heterogeneity as the cause of DC-SIGN behavior. By studying different receptor mutants, we further correlate receptor motion to its molecular structure, thus establishing a strong link between nonergodicity and biological function. These results underscore the role of disorder in cell membranes and its connection with function regulation. Because of its generality, our approach offers a framework to interpret anomalous transport in other complex media where dynamic heterogeneity might play a major role, such as those found, e.g., in soft condensed matter, geology, and ecology.

Dynamic conservation of anomalous current in gauge theories

International Nuclear Information System (INIS)

Kulikov, A.V.

1986-01-01

The symmetry of classical Lagrangian of gauge fields is shown to lead in quantum theory to certain limitations for the fields interacting with gauge ones. Due to this property, additional terms appear in the effective action in the theories with anomalous currents and its gauge invariance is ensured

Alignment dynamics of diffusive scalar gradient in a two-dimensional model flow

Science.gov (United States)

Gonzalez, M.

2018-04-01

The Lagrangian two-dimensional approach of scalar gradient kinematics is revisited accounting for molecular diffusion. Numerical simulations are performed in an analytic, parameterized model flow, which enables considering different regimes of scalar gradient dynamics. Attention is especially focused on the influence of molecular diffusion on Lagrangian statistical orientations and on the dynamics of scalar gradient alignment.

Comparison of Green-Kubo and nonequilibrium calculations of the self-diffusion constant of a Lennard-Jones fluid

International Nuclear Information System (INIS)

Erpenbeck, J.J.

1987-01-01

We apply the so-called ''synthetic'' nonequilibrium molecular-dynamics method to the calculation of the self-diffusion constant of a Lennard-Jones fluid at a number density of 0.85/σ 3 and a temperature of 1.08 epsilon-c/k/sub B/ (where epsilon-c and σ are the energy and length parameters of the potential and k/sub B/ is the Boltzmann constant). By comparing with the Green-Kubo calculation for the same state of the system and for the same number of particles, N, we find the latter calculation to yield more precise values of the self-diffusion constant for a given number of molecular-dynamics time steps. Even at small values of the diffusion current, a nontrivial time is needed for the nonequilibrium calculation to reach the steady state. For larger values of the driving force, the steady-state flow appears to become unstable and evidence of a secondary flow pattern is presented. The presence of these instabilities acts as a limit to the range of the driving force for which the steady-state method can be applied. With increasing N the range of stable values of the diffusion current density decreases. For the Green-Kubo calculations, the N dependence of the self-diffusion constant is found to be anomalous for N = 108, with the 1/N dependence only exhibited for at least 500 particles. The nonequilibrium results, while approximately independent of N for 108 and 500 particles, are found to have a similar anomalous N dependence when we extend the calculations to 1372 particles, thereby bringing the Green-Kubo and nonequilibrium results into agreement in the large-system limit

Theory of anomalous transport in toroidal helical plasmas

International Nuclear Information System (INIS)

Itoh, K.; Itoh, S.; Fukuyama, A.

1992-03-01

Theoretical model of the anomalous transport in Torsatron/Heliotron plasmas is developed, based on the current-diffusive interchange instability which is destabilized due to the averaged magnetic hill near edge. Analytic formula of transport coefficient is derived. This model explains the high edge transport, the power degradation and energy confinement scaling law and the enhanced heat-pulse thermal conduction. (author)

Spatio-temporal diffusion of dynamic PET images

International Nuclear Information System (INIS)

Tauber, C; Chalon, S; Guilloteau, D; Stute, S; Buvat, I; Chau, M; Spiteri, P

2011-01-01

Positron emission tomography (PET) images are corrupted by noise. This is especially true in dynamic PET imaging where short frames are required to capture the peak of activity concentration after the radiotracer injection. High noise results in a possible bias in quantification, as the compartmental models used to estimate the kinetic parameters are sensitive to noise. This paper describes a new post-reconstruction filter to increase the signal-to-noise ratio in dynamic PET imaging. It consists in a spatio-temporal robust diffusion of the 4D image based on the time activity curve (TAC) in each voxel. It reduces the noise in homogeneous areas while preserving the distinct kinetics in regions of interest corresponding to different underlying physiological processes. Neither anatomical priors nor the kinetic model are required. We propose an automatic selection of the scale parameter involved in the diffusion process based on a robust statistical analysis of the distances between TACs. The method is evaluated using Monte Carlo simulations of brain activity distributions. We demonstrate the usefulness of the method and its superior performance over two other post-reconstruction spatial and temporal filters. Our simulations suggest that the proposed method can be used to significantly increase the signal-to-noise ratio in dynamic PET imaging.

Fractional Langevin Equation Model for Characterization of Anomalous Brownian Motion from NMR Signals

Science.gov (United States)

Lisý, Vladimír; Tóthová, Jana

2018-02-01

Nuclear magnetic resonance is often used to study random motion of spins in different systems. In the long-time limit the current mathematical description of the experiments allows proper interpretation of measurements of normal and anomalous diffusion. The shorter-time dynamics is however correctly considered only in a few works that do not go beyond the standard Langevin theory of the Brownian motion (BM). In the present work, the attenuation function S (t) for an ensemble of spins in a magnetic-field gradient, expressed in a form applicable for any kind of stationary stochastic dynamics of spins with or without a memory, is calculated in the frame of the model of fractional BM. The solution of the model for particles trapped in a harmonic potential is obtained in a simple way and used for the calculation of S (t). In the limit of free particles coupled to a fractal heat bath, the results compare favorably with experiments acquired in human neuronal tissues.

Dynamical symmetries of semi-linear Schrodinger and diffusion equations

International Nuclear Information System (INIS)

Stoimenov, Stoimen; Henkel, Malte

2005-01-01

Conditional and Lie symmetries of semi-linear 1D Schrodinger and diffusion equations are studied if the mass (or the diffusion constant) is considered as an additional variable. In this way, dynamical symmetries of semi-linear Schrodinger equations become related to the parabolic and almost-parabolic subalgebras of a three-dimensional conformal Lie algebra (conf 3 ) C . We consider non-hermitian representations and also include a dimensionful coupling constant of the non-linearity. The corresponding representations of the parabolic and almost-parabolic subalgebras of (conf 3 ) C are classified and the complete list of conditionally invariant semi-linear Schrodinger equations is obtained. Possible applications to the dynamical scaling behaviour of phase-ordering kinetics are discussed

Anomalous diffusion in a lattice-gas wind-tree model

International Nuclear Information System (INIS)

Kong, X.P.; Cohen, E.G.D.

1989-01-01

Two new strictly deterministic lattice-gas automata derived from Ehrenfest's wind-tree model are studied. While in one model normal diffusion occurs, the other model exhibits abnormal diffusion in that the distribution function of the displacements of the wind particle is non-Gaussian, but its second moment, the mean-square displacement, is proportional to the time, so that a diffusion coefficient can be defined. A connection with the percolation problem and a self-avoiding random walk for the case in which the lattice is completely covered with trees is discussed

A grain-boundary diffusion model of dynamic grain growth during superplastic deformation

International Nuclear Information System (INIS)

Kim, Byung-Nam; Hiraga, Keijiro; Sakka, Yoshio; Ahn, Byung-Wook

1999-01-01

Dynamic grain growth during superplastic deformation is modelled on the basis of a grain-boundary diffusion mechanism. On the grain boundary where a static and a dynamic potential difference coexist, matter transport along the boundary is assumed to contribute to dynamic grain growth through depositing the matter on the grain surface located opposite to the direction of grain-boundary migration. The amount of the diffusive matter during deformation is calculated for an aggregate of spherical grains and is converted to the increment of mean boundary migration velocity. The obtained relationship between the strain rate and the dynamic grain growth rate is shown to be independent of deformation mechanisms, provided that the grain growth is controlled by grain-boundary diffusion. The strain dependence, strain-rate dependence and temperature dependence of grain growth predicted from this model are consistent with those observed in superplastic ZrO 2 -dispersed Al 2 O 3

Molecular dynamics simulation of diffusion bonding of Al–Cu interface

International Nuclear Information System (INIS)

Li, Chang; Li, Dongxu; Tao, Xiaoma; Chen, Hongmei; Ouyang, Yifang

2014-01-01

The effects of temperature on diffusion bonding of Al–Cu interface have been investigated by using molecular dynamics (MD) technique with the embedded atomic method (EAM) potentials. The simulated results indicate that the Cu atoms predominantly diffuse into the Al side in the process of diffusion bonding, and the thickness of the interfacial region depends on temperature, with higher temperatures resulting in larger thickness. In the course of diffusion bonding, the interfacial region became disordered. In addition, the Cu atoms diffuse at low ratios but can deeply diffuse into the interior of Al, and the Al atoms diffuse at high ratios but hardly diffuse into the interior of Cu. The results show that the appropriate temperature range for diffusion bonding of Al–Cu interface is 750–800 K, and the diffusion activation energies of Al and Cu are 0.77 eV and 0.50 eV, respectively. Finally, in this work, three diffusion mechanisms of Cu atoms in Al lattice have been found and the main diffusion mechanism is the nearest neighbor hopping mechanism. (paper)

Anomalous particle diffusion and Levy random walk of magnetic field lines in three-dimensional solar wind turbulence

International Nuclear Information System (INIS)

Zimbardo, Gaetano

2005-01-01

Plasma transport in the presence of turbulence depends on a variety of parameters such as the fluctuation level, δB/B 0 , the ratio between the particle Larmor radius and the turbulence correlation length, and the turbulence anisotropy. In this paper, we present the results of numerical simulations of plasma and magnetic field line transport in the case of anisotropic magnetic turbulence, for parameter values close to those of the solar wind. We assume a uniform background magnetic field B 0 = B 0 e z and a Fourier representation for magnetic fluctuations, which includes wavectors oblique with respect to B 0 . The energy density spectrum is a power law, and in k space it is described by the correlation lengths l x , l y , l z , which quantify the anisotropy of turbulence. For magnetic field lines, transport perpendicular to the background field depends on the Kubo number R (δB/B 0 ) (l z /l x ). For small Kubo numbers, R 0 , or the ratio l z /l x , we find first a quasilinear regime and then a percolative regime, both corresponding to Gaussian diffusion. For particles, we find that transport parallel and perpendicular to the background magnetic field depends heavily on the turbulence anisotropy and on the particle Larmor radius. For turbulence levels typical of the solar wind, δB/B 0 ≅ 0.5-1, when the ratio between the particle Larmor radius and the turbulence correlation lengths is small, anomalous regimes are found in the case l z /l x ≤ 1, with a Levy random walk (superdiffusion) along the magnetic field and subdiffusion in the perpendicular directions. Conversely, for l z /l x > 1 normal Gaussian diffusion is found. A possible expression for generalized double diffusion is discussed

Two dimensional finite element modelling for dynamic water diffusion through stratum corneum.

Science.gov (United States)

Xiao, Perry; Imhof, Robert E

2012-10-01

Solvents penetration through in vivo human stratum corneum (SC) has always been an interesting research area for trans-dermal drug delivery studies, and the importance of intercellular routes (diffuse in between corneocytes) and transcellular routes (diffuse through corneocytes) during diffusion is often debatable. In this paper, we have developed a two dimensional finite element model to simulate the dynamic water diffusion through the SC. It is based on the brick-and-mortar model, with brick represents corneocytes and mortar represents lipids, respectively. It simulates the dynamic water diffusion process through the SC from pre-defined initial conditions and boundary conditions. Although the simulation is based on water diffusions, the principles can also be applied to the diffusions of other topical applied substances. The simulation results show that both intercellular routes and transcellular routes are important for water diffusion. Although intercellular routes have higher flux rates, most of the water still diffuse through transcellular routes because of the high cross area ratio of corneocytes and lipids. The diffusion water flux, or trans-epidermal water loss (TEWL), is reversely proportional to corneocyte size, i.e. the larger the corneocyte size, the lower the TEWL, and vice versa. There is also an effect of the SC thickness, external air conditions and diffusion coefficients on the water diffusion through SC on the resulting TEWL. Copyright © 2012 Elsevier B.V. All rights reserved.

Dynamics of Robertson–Walker spacetimes with diffusion

Energy Technology Data Exchange (ETDEWEB)

Alho, A., E-mail: aalho@math.ist.utl.pt [Centro de Análise Matemática, Geometria e Sistemas Dinâmicos, Instituto Superior Técnico, Lisboa (Portugal); Calogero, S., E-mail: calogero@chalmers.se [Department of Mathematical Sciences, Chalmers University of Technology, University of Gothenburg, Gothenburg (Sweden); Machado Ramos, M.P., E-mail: mpr@mct.uminho.pt [Departamento de Matemática e Aplicações, Universidade do Minho, Guimarães (Portugal); Soares, A.J., E-mail: ajsoares@math.uminho.pt [Centro de Matemática, Universidade do Minho, Braga (Portugal)

2015-03-15

We study the dynamics of spatially homogeneous and isotropic spacetimes containing a fluid undergoing microscopic velocity diffusion in a cosmological scalar field. After deriving a few exact solutions of the equations, we continue by analyzing the qualitative behavior of general solutions. To this purpose we recast the equations in the form of a two dimensional dynamical system and perform a global analysis of the flow. Among the admissible behaviors, we find solutions that are asymptotically de-Sitter both in the past and future time directions and which undergo accelerated expansion at all times.

Dynamics of the HCP/BCC phase transition and of the diffusion in zirconium: a model based on a tight-binding potential

International Nuclear Information System (INIS)

Willaime, F.

1991-09-01

We have developed an N-body interatomic potential, based on the second moment approximation of the tight-binding scheme, by fitting its four adjustable parameters to the cohesive energy, atomic volume, and elastic constants of hcp-Zr. We then showed that various properties of this potential compare favorably with those of zirconium in both the low temperatures hcp phase and the high temperature bcc phase. Such is the case in particular for the elastic constants, the phonon dispersion curves, the thermal expansion, and the melting temperature. We reproduced by molecular dynamics (MD) simulations on this potential the hcp/bcc phase transformation in both ways. It indeed occurs following the mechanism predicted by Burgers. We find a vibrational entropy of transformation equal to 0.13 k B . Our calculations suggest that in real zirconium the electronic contribution to the transformation entropy is important. We show that some interatomic potential lead to a higher value of the vibrational entropy in the hcp phase than in the bcc phase. We specified the dynamics of the vacancy migration in the bcc phase. The atomic jumps are almost exclusively nearest neighbour ones. The walk of the vacancy becomes strongly correlated at high temperatures. The vacancy jump frequency is very large and has a perfectly arrhenian behaviour. There is no evicence of a dynamical lowering of the vacancy migration barrier: the static and dynamic values of the vacancy migration energy are almost equal, both being unusually small (0.3 eV). The self diffusion coefficent of our model for the vacancy mechanism reproduces an anomalous fast diffusion close to that measured experimentally in bcc-Zr. In our model at high temperatures the time interval between successive jumps is almost equal to the time of flight. The migration events will therefore influence the formation of the vacancies [fr

Fully interferometric controllable anomalous refraction efficiency using cross modulation with plasmonic metasurfaces.

Science.gov (United States)

Liu, Zhaocheng; Chen, Shuqi; Li, Jianxiong; Cheng, Hua; Li, Zhancheng; Liu, Wenwei; Yu, Ping; Xia, Ji; Tian, Jianguo

2014-12-01

We present a method of fully interferometric, controllable anomalous refraction efficiency by introducing cross-modulated incident light based on plasmonic metasurfaces. Theoretical analyses and numerical simulations indicate that the anomalous and ordinary refracted beams generated from two opposite-helicity incident beams and following the generalized Snell's law will have a superposition for certain incident angles, and the anomalous refraction efficiency can be dynamically controlled by changing the relative phase of the incident sources. As the incident wavelength nears the resonant wavelength of the plasmonic metasurfaces, two equal-amplitude incident beams with opposite helicity can be used to control the anomalous refraction efficiency. Otherwise, two unequal-amplitude incident beams with opposite helicity can be used to fully control the anomalous refraction efficiency. This Letter may offer a further step in the development of controllable anomalous refraction.

Anomalous high-frequency wave activity flux preceding anomalous changes in the Northern polar jet

Science.gov (United States)

Nakamura, Mototaka; Kadota, Minoru; Yamane, Shozo

2010-05-01

Anomalous forcing by quasi-geostrophic (QG) waves has been reported as an important forcing factor in the Northern Annular Mode (NAM) in recent literatures. In order to shed a light on the dynamics of the NAM from a different angle, we have examined anomalous behavior of the winter jets in the upper troposphere and stratosphere by focusing our diagnosis on not the anomalous geopotential height (Z) itself, but on the anomalous change in the Z (dZ) between two successive months and preceding transient QG wave activity flux during the cold season. We calculated EOFs of dZ between two successive months at 150hPa for a 46-year period, from 1958 to 2003, using the monthly mean NCEP reanalysis data. We then formed anomaly composites of changes in Z and the zonal velocity (U), as well as the preceding and following wave activity flux, Z, U, and temperature at various heights, for both positive and negative phases of the first EOF. For the wave forcing fields, we adopted the diagnostic system for the three-dimensional QG transient wave activity flux in the zonally-varying three-dimensional mean flow developed by Plumb (1986) with a slight modification in its application to the data. Our choice of the Plumb86 is based on the fact that the winter mean flow in the Northern Hemisphere is characterized by noticeable zonal asymmetry, and has a symbiotic relationship with waves in the extra-tropics. The Plumb86 flux was calculated for high-frequency (period of 2 to 7 days) and low-frequency (period of 10 to 20 days) waves with the ultra-low-frequency (period of 30 days or longer) flow as the reference state for each time frame of the 6 hourly NCEP reanalysis data from 1958 to 2003. By replacing the mean flow with the ultra-low-frequency flow in the application of the Plumb86 formula, the flux fields were calculated as time series at 6 hour intervals. The time series of the wave activity flux was then averaged for each month. The patterns of composited anomalous dZ and dU clearly

MHD [magnetohydrodynamic] modes driven by anomalous electron viscosity and their role in fast sawtooth crashes

International Nuclear Information System (INIS)

Aydemir, A.Y.

1990-01-01

We derive the dispersion relations for both small and large-Δ' modes (m ≥ 2, and m = 1 modes, respectively) driven by anomalous electron viscosity. Under the assumption that the anomalous kinematic electron viscosity is comparable to the anomalous electron thermal diffusivity, we find that the viscous mode typically has a higher growth rate than the corresponding resistive mode. We compare computational results in cylindrical and toroidal geometries with theory and present some nonlinear results for viscous m = 1 modes in both circular and D-shaped boundaries and discuss their possible rile in fast sawtooth crashes. 30 ref., 5 figs., 1 tab

Severe slowing-down and universality of the dynamics in disordered interacting many-body systems: ageing and ultraslow diffusion

International Nuclear Information System (INIS)

Sanders, Lloyd P; Fogelmark, Karl; Ambjörnsson, Tobias; Lomholt, Michael A; Lizana, Ludvig; Metzler, Ralf

2014-01-01

Low-dimensional, many-body systems are often characterized by ultraslow dynamics. We study a labelled particle in a generic system of identical particles with hard-core interactions in a strongly disordered environment. The disorder is manifested through intermittent motion with scale-free sticking times at the single particle level. While for a non-interacting particle we find anomalous diffusion of the power-law form 〈x 2 (t)〉≃t α of the mean squared displacement with 0<α<1, we demonstrate here that the combination of the disordered environment with the many-body interactions leads to an ultraslow, logarithmic dynamics 〈x 2 (t)〉≃log 1/2 t with a universal 1/2 exponent. Even when a characteristic sticking time exists but the fluctuations of sticking times diverge we observe the mean squared displacement 〈x 2 (t)〉≃t γ with 0<γ<1/2, that is slower than the famed Harris law 〈x 2 (t)〉≃t 1/2 without disorder. We rationalize the results in terms of a subordination to a counting process, in which each transition is dominated by the forward waiting time of an ageing continuous time process. (paper)

Diffusion of particles over dynamically disordered lattice

Czech Academy of Sciences Publication Activity Database

Tarasenko, Alexander; Jastrabík, Lubomír

2011-01-01

Roč. 13, č. 6 (2011), s. 2300-2306 ISSN 1463-9076 R&D Projects: GA AV ČR KAN301370701; GA MŠk(CZ) 1M06002 Institutional research plan: CEZ:AV0Z10100522 Keywords : diffusion * Monte Carlo simulations * dynamic disordered lattice Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.573, year: 2011

Anomalous changes of diffuse CO_{2} emission and seismic activity at Teide volcano, Tenerife, Canary Islands

Science.gov (United States)

García-Hernández, Rubén; Melián, Gladys; D'Auria, Luca; Asensio-Ramos, María; Alonso, Mar; Padilla, Germán D.; Rodríguez, Fátima; Padrón, Eleazar; Barrancos, José; García-Merino, Marta; Amonte, Cecilia; Pérez, Aarón; Calvo, David; Hernández, Pedro A.; Pérez, Nemesio M.

2017-04-01

probably due to the increase of fluid pressure in the hydrothermal-magmatic system of Tenerife. With the aim of investigate the relationship of the observed temporal variation on diffuse CO2 emission and the seismic event occurred beneath Teide volcano in January 6, 2016, the anomalous peak of diffuse CO2 emission was tested following the Material Failure Forecast Method (FFM). To do so, a Geochemical Window Precursory Signal (GWPS) was selected between October 11 and December 13, 2016. Plotting the inverse of diffuse CO2 emission rate versus time, the interception of the linear fit of the data with the time axis indicates the theoretical moment when seismicity is most likely to occur. Surprisingly, interception of the linear fit occurred for a time window between January 6 and 9, 2017, showing an excellent correlation with the occurrence of the M 2.5 earthquake registered at Teide in January 6, 2017.

Comparison of nanoparticle diffusion using fluorescence correlation spectroscopy and differential dynamic microscopy within concentrated polymer solutions

Science.gov (United States)

Shokeen, Namita; Issa, Christopher; Mukhopadhyay, Ashis

2017-12-01

We studied the diffusion of nanoparticles (NPs) within aqueous entangled solutions of polyethylene oxide (PEO) by using two different optical techniques. Fluorescence correlation spectroscopy, a method widely used to investigate nanoparticle dynamics in polymer solution, was used to measure the long-time diffusion coefficient (D) of 25 nm radius particles within high molecular weight, Mw = 600 kg/mol PEO in water solutions. Differential dynamic microscopy (DDM) was used to determine the wave-vector dependent dynamics of NPs within the same polymer solutions. Our results showed good agreement between the two methods, including demonstration of normal diffusion and almost identical diffusion coefficients obtained by both techniques. The research extends the scope of DDM to study the dynamics and rheological properties of soft matter at a nanoscale. The measured diffusion coefficients followed a scaling theory, which can be explained by the coupling between polymer dynamics and NP motion.

Extracting the diffusion tensor from molecular dynamics simulation with Milestoning

International Nuclear Information System (INIS)

Mugnai, Mauro L.; Elber, Ron

2015-01-01

We propose an algorithm to extract the diffusion tensor from Molecular Dynamics simulations with Milestoning. A Kramers-Moyal expansion of a discrete master equation, which is the Markovian limit of the Milestoning theory, determines the diffusion tensor. To test the algorithm, we analyze overdamped Langevin trajectories and recover a multidimensional Fokker-Planck equation. The recovery process determines the flux through a mesh and estimates local kinetic parameters. Rate coefficients are converted to the derivatives of the potential of mean force and to coordinate dependent diffusion tensor. We illustrate the computation on simple models and on an atomically detailed system—the diffusion along the backbone torsions of a solvated alanine dipeptide

Turbulent structure and dynamics of swirled, strongly pulsed jet diffusion flames

KAUST Repository

Liao, Ying-Hao; Hermanson, James C.

2013-01-01

The structure and dynamics of swirled, strongly pulsed, turbulent jet diffusion flames were examined experimentally in a co-flow swirl combustor. The dynamics of the large-scale flame structures, including variations in flame dimensions, the degree

Random-walk diffusion and drying of porous materials

Science.gov (United States)

Mehrafarin, M.; Faghihi, M.

2001-12-01

Based on random-walk diffusion, a microscopic model for drying is proposed to explain the characteristic features of the drying-rate curve of porous materials. The constant drying-rate period is considered as a normal diffusion process. The transition to the falling-rate regime is attributed to the fractal nature of porous materials which results in crossover to anomalous diffusion.

Origins of the anomalous stress behavior in charged colloidal suspensions under shear.

Science.gov (United States)

Kumar, Amit; Higdon, Jonathan J L

2010-11-01

Numerical simulations are conducted to determine microstructure and rheology of sheared suspensions of charged colloidal particles at a volume fraction of ϕ=0.33. Over broad ranges of repulsive force strength F0 and Péclet number Pe, dynamic simulations show coexistence of ordered and disordered stable states with the state dependent on the initial condition. In contrast to the common view, at low shear rates, the disordered phase exhibits a lower viscosity (μ(r)) than the ordered phase, while this behavior is reversed at higher shear rates. Analysis shows the stress reversal is associated with different shear induced microstructural distortions in the ordered and disordered systems. Viscosity vs shear rate data over a wide range of F0 and Pe collapses well upon rescaling with the long-time self-diffusivity. Shear thinning viscosity in the ordered phase scaled as μ(r)∼Pe(-0.81) at low shear rates. The microstructural dynamics revealed in these studies explains the anomalous behavior and hysteresis loops in stress data reported in the literature.

Bleaching and diffusion dynamics in optofluidic dye lasers

DEFF Research Database (Denmark)

Gersborg-Hansen, Morten; Balslev, Søren; Mortensen, Asger

2007-01-01

The authors have investigated the bleaching dynamics that occur in optofluidic dye lasers where the liquid laser dye in a microfluidic channel is locally bleached due to optical pumping. They find that for microfluidic devices, the dye bleaching may be compensated through diffusion of dye molecules...

Diffusion and growth of aluminum adatoms on magnesium clusters with hexahedral structure

International Nuclear Information System (INIS)

Dai, Xiongying; Hu, Wangyu; Yang, Jianyu; Chen, Chuanpin

2015-01-01

The surface diffusion and growth of Al atoms on Mg clusters with hexahedral structure was investigated using molecular dynamics simulations. The diffusion pathways and the corresponding energy barriers were determined via the nudged elastic band method. Two diffusion paths from a (0001) facet to a neighboring (11 ¯ 01) facet and between two adjacent (11 ¯ 01) facets were considered. The energy barriers on the (11 ¯ 01) facets and between the two (11 ¯ 01) facets were remarkably increased. As such, the adatom's mobility became limited at low temperatures. The growth of small Al–Mg nanoclusters was modeled via the one-by-one atom deposition technique to form an anomalous core–shell structure. The Mg atoms with lower surface energy and larger atomic radius occupied the core and the Al atoms with higher surface energy and smaller atomic radius occupied the shell

Lattice dynamics and thermal diffuse scattering for molecular crystals

International Nuclear Information System (INIS)

Kroon, P.A.

1977-01-01

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

Communication: Relationship between solute localization and diffusion in a dynamically constrained polymer system

Energy Technology Data Exchange (ETDEWEB)

Saylor, David M.; Jawahery, Sudi; Silverstein, Joshua S.; Forrey, Christopher [Center for Devices and Radiological Health, FDA, Silver Spring, Maryland 20993 (United States)

2016-07-21

We investigate the link between dynamic localization, characterized by the Debye–Waller factor, 〈u{sup 2}〉, and solute self-diffusivity, D, in a polymer system using atomistic molecular dynamics simulations and vapor sorption experiments. We find a linear relationship between lnD and 1/〈u{sup 2}〉 over more than four decades of D, encompassing most of the glass formation regime. The observed linearity is consistent with the Langevin dynamics in a periodically varying potential field and may offer a means to rapidly assess diffusion based on the characterization of dynamic localization.

Anomalous Price Impact and the Critical Nature of Liquidity in Financial Markets

Science.gov (United States)

Tóth, B.; Lempérière, Y.; Deremble, C.; de Lataillade, J.; Kockelkoren, J.; Bouchaud, J.-P.

2011-10-01

We propose a dynamical theory of market liquidity that predicts that the average supply/demand profile is V shaped and vanishes around the current price. This result is generic, and only relies on mild assumptions about the order flow and on the fact that prices are, to a first approximation, diffusive. This naturally accounts for two striking stylized facts: First, large metaorders have to be fragmented in order to be digested by the liquidity funnel, which leads to a long memory in the sign of the order flow. Second, the anomalously small local liquidity induces a breakdown of the linear response and a diverging impact of small orders, explaining the “square-root” impact law, for which we provide additional empirical support. Finally, we test our arguments quantitatively using a numerical model of order flow based on the same minimal ingredients.

Dynamics of normal and superfluid fogs using diffusing-wave spectroscopy

International Nuclear Information System (INIS)

Kim, Heetae; Lemieux, Pierre-Anthony; Durian, Douglas J.; Williams, Gary A.

2004-01-01

The dynamics of normal and superfluid fogs are studied using the technique of diffusing-wave spectroscopy. For a water fog generated with a 1.75 MHz piezoelectric driver below the liquid surface, the 7 μm diameter droplets are found to have diffusive dynamics for correlation times long compared to the viscous time. For a fog of 10 μm diameter superfluid helium droplets in helium vapor at 1.5 K the motion appears to be ballistic for correlation times short compared to the viscous time. The velocity correlations between the helium droplets are found to depend on the initial velocity with which the droplets are injected from the helium surface into the fog

Molecular dynamics simulation of self-diffusion coefficients for liquid metals

International Nuclear Information System (INIS)

Ju Yuan-Yuan; Zhang Qing-Ming; Gong Zi-Zheng; Ji Guang-Fu

2013-01-01

The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics methods based on the embedded-atom-method (EAM) potential function. The simulated results show that a good inverse linear relation exists between the natural logarithm of self-diffusion coefficients and temperature, though the results in the literature vary somewhat, due to the employment of different potential functions. The estimated activation energy of liquid metals obtained by fitting the Arrhenius formula is close to the experimental data. The temperature-dependent shear-viscosities obtained from the Stokes—Einstein relation in conjunction with the results of molecular dynamics simulation are generally consistent with other values in the literature. (atomic and molecular physics)

TRANSIENT ANOMALOUS SUB-DIFFUSION ON BOUNDED DOMAINS

OpenAIRE

MEERSCHAERT, MARK M.; NANE, ERKAN; VELLAISAMY, P.

2012-01-01

This paper develops strong solutions and stochastic solutions for the tempered fractional diffusion equation on bounded domains. First the eigenvalue problem for tempered fractional derivatives is solved. Then a separation of variables, and eigenfunction expansions in time and space, are used to write strong solutions. Finally, stochastic solutions are written in terms of an inverse subordinator.

Macromolecular diffusion in crowded media beyond the hard-sphere model.

Science.gov (United States)

Blanco, Pablo M; Garcés, Josep Lluís; Madurga, Sergio; Mas, Francesc

2018-04-25

The effect of macromolecular crowding on diffusion beyond the hard-core sphere model is studied. A new coarse-grained model is presented, the Chain Entanglement Softened Potential (CESP) model, which takes into account the macromolecular flexibility and chain entanglement. The CESP model uses a shoulder-shaped interaction potential that is implemented in the Brownian Dynamics (BD) computations. The interaction potential contains only one parameter associated with the chain entanglement energetic cost (Ur). The hydrodynamic interactions are included in the BD computations via Tokuyama mean-field equations. The model is used to analyze the diffusion of a streptavidin protein among different sized dextran obstacles. For this system, Ur is obtained by fitting the streptavidin experimental long-time diffusion coefficient Dlongversus the macromolecular concentration for D50 (indicating their molecular weight in kg mol-1) dextran obstacles. The obtained Dlong values show better quantitative agreement with experiments than those obtained with hard-core spheres. Moreover, once parametrized, the CESP model is also able to quantitatively predict Dlong and the anomalous exponent (α) for streptavidin diffusion among D10, D400 and D700 dextran obstacles. Dlong, the short-time diffusion coefficient (Dshort) and α are obtained from the BD simulations by using a new empirical expression, able to describe the full temporal evolution of the diffusion coefficient.

The Dynamics of Controlled Flow Separation within a Diverter Duct Diffuser

Science.gov (United States)

Peterson, C. J.; Vukasinovic, B.; Glezer, A.

2016-11-01

The evolution and receptivity to fluidic actuation of the flow separation within a rectangular, constant-width, diffuser that is branched off of a primary channel is investigated experimentally at speeds up to M = 0.4. The coupling between the diffuser's adverse pressure gradient and the internal separation that constricts nearly half of the flow passage through the duct is controlled using a spanwise array of fluidic actuators on the surface upstream of the diffuser's inlet plane. The dynamics of the separating surface vorticity layer in the absence and presence of actuation are investigated using high-speed particle image velocimetry combined with surface pressure measurements and total pressure distributions at the primary channel's exit plane. It is shown that the actuation significantly alters the incipient dynamics of the separating vorticity layer as the characteristic cross stream scales of the boundary layer upstream of separation and of the ensuing vorticity concentrations within the separated flow increase progressively with actuation level. It is argued that the dissipative (high frequency) actuation alters the balance between large- and small-scale motions near separation by intensifying the large-scale motions and limiting the small-scale dynamics. Controlling separation within the diffuser duct also has a profound effect on the global flow. In the presence of actuation, the mass flow rate in the primary duct increases 10% while the fraction of the diverted mass flow rate in the diffuser increases by more than 45% at 0.7% actuation mass fraction. Supported by the Boeing Company.

Applications of fractional calculus to diffusion transport in clay-water system

International Nuclear Information System (INIS)

Korosak, D.; Cvikl, B.; Kramer, J.; Jecl, R.; Praprotnik, A.; Veselic, M.

2005-01-01

The analysis of the low-frequency conductivity spectra of the clay-water mixtures is presented. The conductivity spectra for samples at different water content values are shown to collapse to a single master curve when appropriately rescaled. The frequency dependence of the conductivity is shown to follow the power-law with the exponent η=0,67 before reaching the frequency-independent part. It is argued that the observed conductivity dispersion is a consequence of the anomalously diffusing ions in the clay-water system. The fractional Langevin equation is then used to describe the stochastic dynamics of the single ion. (author)

Model for Anomalous Moisture Diffusion through a Polymer-Clay Nanocomposite

DEFF Research Database (Denmark)

Drozdov, Aleksey D.; Christiansen, Jesper de Claville; Gupta, R.K.

2003-01-01

Experimental data are reported on moisture diffusion and the elastoplastic response of an intercalated nanocomposite with vinyl ester resin matrix and montmorillonite clay filler at room temperature. Observations in diffusion tests showed that water transport in the neat resin is Fickian, whereas...... platelets. Constitutive equations are developed for moisture diffusion through and the elastoplastic behavior of a nanocomposite. Adjustable parameters in these relations are found by fitting the experimental data. Fair agreement is demonstrated between the observations and the results of numerical...

Anomalous vibrational modes in acetanilide as studied by inelastic neutron scattering

Science.gov (United States)

Barthes, Mariette; Eckert, Juegen; Johnson, Susanna W.; Moret, Jacques; Swanson, Basil I.; Unkefer, Clifford J.

1992-10-01

A study of the anomalous modes in acetanilide and five deuterated derivatives by incoherent inelastic neutron scattering is reported. These data show that the dynamics of the amide and methyl groups influence each other. In addition, the anomalous temperature behaviour of the NH out-of-plane bending mode is confirmed. These observations suggest that the self-trapping mechanism in ACN may be more complex than hitherto assumed.

Position-Dependent Dynamics Explain Pore-Averaged Diffusion in Strongly Attractive Adsorptive Systems.

Science.gov (United States)

Krekelberg, William P; Siderius, Daniel W; Shen, Vincent K; Truskett, Thomas M; Errington, Jeffrey R

2017-12-12

Using molecular simulations, we investigate the relationship between the pore-averaged and position-dependent self-diffusivity of a fluid adsorbed in a strongly attractive pore as a function of loading. Previous work (Krekelberg, W. P.; Siderius, D. W.; Shen, V. K.; Truskett, T. M.; Errington, J. R. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores. Langmuir 2013, 29, 14527-14535, doi: 10.1021/la4037327) established that pore-averaged self-diffusivity in the multilayer adsorption regime, where the fluid exhibits a dense film at the pore surface and a lower density interior pore region, is nearly constant as a function of loading. Here we show that this puzzling behavior can be understood in terms of how loading affects the fraction of particles that reside in the film and interior pore regions as well as their distinct dynamics. Specifically, the insensitivity of pore-averaged diffusivity to loading arises from the approximate cancellation of two factors: an increase in the fraction of particles in the higher diffusivity interior pore region with loading and a corresponding decrease in the particle diffusivity in that region. We also find that the position-dependent self-diffusivities scale with the position-dependent density. We present a model for predicting the pore-average self-diffusivity based on the position-dependent self-diffusivity, which captures the unusual characteristics of pore-averaged self-diffusivity in strongly attractive pores over several orders of magnitude.

Uncovering the community structure associated with the diffusion dynamics on networks

International Nuclear Information System (INIS)

Cheng, Xue-Qi; Shen, Hua-Wei

2010-01-01

As two main focuses of the study of complex networks, the community structure and the dynamics on networks have both attracted much attention in various scientific fields. However, it is still an open question how the community structure is associated with the dynamics on complex networks. In this paper, through investigating the diffusion process taking place on networks, we demonstrate that the intrinsic community structure of networks can be revealed by the stable local equilibrium states of the diffusion process. Furthermore, we show that such community structure can be directly identified through the optimization of the conductance of the network, which measures how easily the diffusion among different communities occurs. Tests on benchmark networks indicate that the conductance optimization method significantly outperforms the modularity optimization methods in identifying the community structure of networks. Applications to real world networks also demonstrate the effectiveness of the conductance optimization method. This work provides insights into the multiple topological scales of complex networks, and the community structure obtained can naturally reflect the diffusion capability of the underlying network

Stochastic modeling and simulation of reaction-diffusion system with Hill function dynamics.

Science.gov (United States)

Chen, Minghan; Li, Fei; Wang, Shuo; Cao, Young

2017-03-14

Stochastic simulation of reaction-diffusion systems presents great challenges for spatiotemporal biological modeling and simulation. One widely used framework for stochastic simulation of reaction-diffusion systems is reaction diffusion master equation (RDME). Previous studies have discovered that for the RDME, when discretization size approaches zero, reaction time for bimolecular reactions in high dimensional domains tends to infinity. In this paper, we demonstrate that in the 1D domain, highly nonlinear reaction dynamics given by Hill function may also have dramatic change when discretization size is smaller than a critical value. Moreover, we discuss methods to avoid this problem: smoothing over space, fixed length smoothing over space and a hybrid method. Our analysis reveals that the switch-like Hill dynamics reduces to a linear function of discretization size when the discretization size is small enough. The three proposed methods could correctly (under certain precision) simulate Hill function dynamics in the microscopic RDME system.

Dynamics and diffusive-conformational coupling in polymer bulk samples and surfaces: a molecular dynamics study

International Nuclear Information System (INIS)

Vree, C; Mayr, S G

2010-01-01

The impact of free surfaces on the mobility and conformational fluctuations of model polymer chains is investigated with the help of classical molecular dynamics simulations over a broad temperature range. Below a critical temperature, T*, similar to the critical temperature of the mode coupling theory, the center-of-mass displacements and temporal fluctuations of the radius of gyration of individual chains-as a fingerprint of structural reconfigurations-reveal a strong enhancement close to surfaces, while this effect diminishes with increasing temperature and observation time. Interpreting conformational fluctuations as a random walk in conformational space, identical activation enthalpies for structural reconfigurations and diffusion are obtained within the error bars in the bulk and at the surfaces, thus indicating a coupling of diffusive and conformational dynamics.

Chaotic dynamics of large-scale double-diffusive convection in a porous medium

Science.gov (United States)

Kondo, Shutaro; Gotoda, Hiroshi; Miyano, Takaya; Tokuda, Isao T.

2018-02-01

We have studied chaotic dynamics of large-scale double-diffusive convection of a viscoelastic fluid in a porous medium from the viewpoint of dynamical systems theory. A fifth-order nonlinear dynamical system modeling the double-diffusive convection is theoretically obtained by incorporating the Darcy-Brinkman equation into transport equations through a physical dimensionless parameter representing porosity. We clearly show that the chaotic convective motion becomes much more complicated with increasing porosity. The degree of dynamic instability during chaotic convective motion is quantified by two important measures: the network entropy of the degree distribution in the horizontal visibility graph and the Kaplan-Yorke dimension in terms of Lyapunov exponents. We also present an interesting on-off intermittent phenomenon in the probability distribution of time intervals exhibiting nearly complete synchronization.

Anomalous transport from holography. Pt. II

Energy Technology Data Exchange (ETDEWEB)

Bu, Yanyan; Sharon, Amir [Ben-Gurion University of the Negev, Department of Physics, Beersheba (Israel); Lublinsky, Michael [Ben-Gurion University of the Negev, Department of Physics, Beersheba (Israel); University of Connecticut, Physics Department, Storrs, CT (United States)

2017-03-15

This is a second study of chiral anomaly-induced transport within a holographic model consisting of anomalous U(1){sub V} x U(1){sub A} Maxwell theory in Schwarzschild-AdS{sub 5} spacetime. In the first part, chiral magnetic/separation effects (CME/CSE) are considered in the presence of a static spatially inhomogeneous external magnetic field. Gradient corrections to CME/CSE are analytically evaluated up to third order in the derivative expansion. Some of the third order gradient corrections lead to an anomaly-induced negative B{sup 2}-correction to the diffusion constant. We also find modifications to the chiral magnetic wave nonlinear in B. In the second part, we focus on the experimentally interesting case of the axial chemical potential being induced dynamically by a constant magnetic and time-dependent electric fields. Constitutive relations for the vector/axial currents are computed employing two different approximations: (a) derivative expansion (up to third order) but fully nonlinear in the external fields, and (b) weak electric field limit but resuming all orders in the derivative expansion. A non-vanishing nonlinear axial current (CSE) is found in the first case. The dependence on magnetic field and frequency of linear transport coefficient functions is explored in the second. (orig.)

Anomalous transport from holography. Pt. II

International Nuclear Information System (INIS)

Bu, Yanyan; Sharon, Amir; Lublinsky, Michael

2017-01-01

This is a second study of chiral anomaly-induced transport within a holographic model consisting of anomalous U(1)_V x U(1)_A Maxwell theory in Schwarzschild-AdS_5 spacetime. In the first part, chiral magnetic/separation effects (CME/CSE) are considered in the presence of a static spatially inhomogeneous external magnetic field. Gradient corrections to CME/CSE are analytically evaluated up to third order in the derivative expansion. Some of the third order gradient corrections lead to an anomaly-induced negative B"2-correction to the diffusion constant. We also find modifications to the chiral magnetic wave nonlinear in B. In the second part, we focus on the experimentally interesting case of the axial chemical potential being induced dynamically by a constant magnetic and time-dependent electric fields. Constitutive relations for the vector/axial currents are computed employing two different approximations: (a) derivative expansion (up to third order) but fully nonlinear in the external fields, and (b) weak electric field limit but resuming all orders in the derivative expansion. A non-vanishing nonlinear axial current (CSE) is found in the first case. The dependence on magnetic field and frequency of linear transport coefficient functions is explored in the second. (orig.)

Anomalous behaviors during infiltration into heterogeneous porous media

Science.gov (United States)

Aarão Reis, F. D. A.; Bolster, D.; Voller, V. R.

2018-03-01

Flow and transport in heterogeneous porous media often exhibit anomalous behavior. A physical analog example is the uni-directional infiltration of a viscous liquid into a horizontal oriented Hele-Shaw cell containing through thickness flow obstacles; a system designed to mimic a gravel/sand medium with impervious inclusions. When there are no obstacles present or the obstacles form a multi-repeating pattern, the change of the length of infiltration F with time t tends to follow a Fickian like scaling, F ∼t1/2 . In the presence of obstacle fields laid out as Sierpinski carpet fractals, infiltration is anomalous, i.e., F ∼ tn, n ≠ 1/2. Here, we study infiltration into such Hele-Shaw cells. First we investigate infiltration into a square cell containing one fractal carpet and make the observation that it is possible to generate both sub (n 1/2) diffusive behaviors within identical heterogeneity configurations. We show that this can be explained in terms of a scaling analysis developed from results of random-walk simulations in fractal obstacles; a result indicating that the nature of the domain boundary controls the exponent n of the resulting anomalous transport. Further, we investigate infiltration into a rectangular cell containing several repeats of a given Sierpinski carpet. At very early times, before the liquid encounters any obstacles, the infiltration is Fickian. When the liquid encounters the first (smallest scale) obstacle the infiltration sharply transitions to sub-diffusive. Subsequently, around the time where the liquid has sampled all of the heterogeneity length scales in the system, there is a rapid transition back to Fickian behavior. An explanation for this second transition is obtained by developing a simplified infiltration model based on the definition of a representative averaged hydraulic conductivity.

Effects of surface and interface scattering on anomalous Hall effect in Co/Pd multilayers

KAUST Repository

Guo, Zaibing; Mi, W. B.; Aboljadayel, Razan; Zhang, Bei; Zhang, Q.; Gonzalez Barba, Priscila; Manchon, Aurelien; Zhang, Xixiang

2012-01-01

. By scaling surface scattering contribution with ρAHs∼ργss, the exponent γ has been found to decrease with the increase of surface scattering resistivity, which could account for the thickness-dependent anomalous Hall effect. Interface diffusion induced

Mechanical properties of dynamic diffusion bonded joints in a mild alloy steel

International Nuclear Information System (INIS)

Gomez de Salazar, J. M.; Urena, A.; Menendez, M.

2001-01-01

Mechanical properties in Dynamic Diffusion Bonded (DDB) in a A.S.T.M. 1045 steel (=.45%C) joints were studied. The thermomechanical cycle added to the process, favours both the initial deformation stage and probably the diffusion mechanisms which participate in bond formation. (Author) 11 refs

Dissipative particle dynamics of diffusion-NMR requires high Schmidt-numbers

Energy Technology Data Exchange (ETDEWEB)

Azhar, Mueed; Greiner, Andreas [Laboratory for Simulation, Department of Microsystems Engineering (IMTEK), University of Freiburg, Georges-Köhler-Allee 103, 79110 Freiburg (Germany); Korvink, Jan G., E-mail: jan.korvink@kit.edu, E-mail: david.kauzlaric@imtek.uni-freiburg.de [Laboratory for Simulation, Department of Microsystems Engineering (IMTEK), University of Freiburg, Georges-Köhler-Allee 103, 79110 Freiburg (Germany); Department of Microstructure Technology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, Eggenstein-Leopoldshafen (Germany); Kauzlarić, David, E-mail: jan.korvink@kit.edu, E-mail: david.kauzlaric@imtek.uni-freiburg.de [Laboratory for Simulation, Department of Microsystems Engineering (IMTEK), University of Freiburg, Georges-Köhler-Allee 103, 79110 Freiburg (Germany); Freiburg Institute for Advanced Studies, University of Freiburg, Albertstr. 19, 79104 Freiburg (Germany)

2016-06-28

We present an efficient mesoscale model to simulate the diffusion measurement with nuclear magnetic resonance (NMR). On the level of mesoscopic thermal motion of fluid particles, we couple the Bloch equations with dissipative particle dynamics (DPD). Thereby we establish a physically consistent scaling relation between the diffusion constant measured for DPD-particles and the diffusion constant of a real fluid. The latter is based on a splitting into a centre-of-mass contribution represented by DPD, and an internal contribution which is not resolved in the DPD-level of description. As a consequence, simulating the centre-of-mass contribution with DPD requires high Schmidt numbers. After a verification for fundamental pulse sequences, we apply the NMR-DPD method to NMR diffusion measurements of anisotropic fluids, and of fluids restricted by walls of microfluidic channels. For the latter, the free diffusion and the localisation regime are considered.

Mathematical modelling of pasta dough dynamic viscosity, thermal conductivity and diffusivity

Directory of Open Access Journals (Sweden)

Andrei Ionuţ SIMION

2015-08-01

Full Text Available This work aimed to study the mathematical variation of three main thermodynamic properties (dynamic viscosity, thermal conductivity and thermal diffusivity of pasta dough obtained by mixing wheat semolina and water with dough humidity and deformation speed (for dynamic viscosity, respectively with dough humidity and temperature (for thermal diffusivity and conductivity. The realized regression analysis of existing graphical data led to the development of mathematical models with a high degree of accuracy. The employed statistical tests (least squares, relative error and analysis of variance revealed that the obtained equations are able to describe and predict the tendency of the dough thermodynamic properties.

Diffusive real-time dynamics of a particle with Berry curvature

Science.gov (United States)

Misaki, Kou; Miyashita, Seiji; Nagaosa, Naoto

2018-02-01

We study theoretically the influence of Berry phase on the real-time dynamics of the single particle focusing on the diffusive dynamics, i.e., the time dependence of the distribution function. Our model can be applied to the real-time dynamics of intraband relaxation and diffusion of optically excited excitons, trions, or particle-hole pair. We found that the dynamics at the early stage is deeply influenced by the Berry curvature in real space (B ), momentum space (Ω ), and also the crossed space between these two (C ). For example, it is found that Ω induces the rotation of the wave packet and causes the time dependence of the mean square displacement of the particle to be linear in time t at the initial stage; it is qualitatively different from the t3 dependence in the absence of the Berry curvature. It is also found that Ω and C modify the characteristic time scale of the thermal equilibration of momentum distribution. Moreover, the dynamics under various combinations of B ,Ω , and C shows singular behaviors such as the critical slowing down or speeding up of the momentum equilibration and the reversals of the direction of rotations. The relevance of our model for time-resolved experiments in transition metal dichalcogenides is also discussed.

Muon spin rotation studies of defect states in solids: the story of anomalous muonium

International Nuclear Information System (INIS)

Estle, T.L.

1983-01-01

Muon spin rotation (μSR) is a powerful technique to study magnetic phenomena, light interstitial diffusion, and hydrogenic chemistry. However it has been applied in several other areas of science where its applicability was not immediately apparent. One of these is the study of an unusual muonic defect, anomalous muonium, produced when μ + stops in semiconducting crystals. The study of anomalous muonium and the process of inferring its structure are described. For this defect, μSR has learned far more than have efforts to study the analogous hydrogenic center

Anomalous Price Impact and the Critical Nature of Liquidity in Financial Markets

Directory of Open Access Journals (Sweden)

B. Tóth

2011-10-01

Full Text Available We propose a dynamical theory of market liquidity that predicts that the average supply/demand profile is V shaped and vanishes around the current price. This result is generic, and only relies on mild assumptions about the order flow and on the fact that prices are, to a first approximation, diffusive. This naturally accounts for two striking stylized facts: First, large metaorders have to be fragmented in order to be digested by the liquidity funnel, which leads to a long memory in the sign of the order flow. Second, the anomalously small local liquidity induces a breakdown of the linear response and a diverging impact of small orders, explaining the “square-root” impact law, for which we provide additional empirical support. Finally, we test our arguments quantitatively using a numerical model of order flow based on the same minimal ingredients.

Anomalous feedback and negative domain wall resistance

International Nuclear Information System (INIS)

Cheng, Ran; Xiao, Di; Zhu, Jian-Gang

2016-01-01

Magnetic induction can be regarded as a negative feedback effect, where the motive-force opposes the change of magnetic flux that generates the motive-force. In artificial electromagnetics emerging from spintronics, however, this is not necessarily the case. By studying the current-induced domain wall dynamics in a cylindrical nanowire, we show that the spin motive-force exerting on electrons can either oppose or support the applied current that drives the domain wall. The switching into the anomalous feedback regime occurs when the strength of the dissipative torque β is about twice the value of the Gilbert damping constant α . The anomalous feedback manifests as a negative domain wall resistance, which has an analogy with the water turbine. (paper)

Transport phenomena in sharply contrasting media with a diffusion barrier

International Nuclear Information System (INIS)

Dvoretskaya, O A; Kondratenko, P S

2011-01-01

Using the advection–diffusion equation, we analytically study contaminant transport in a sharply contrasting medium with a diffusion barrier due to localization of a contaminant source in a low-permeability medium. Anomalous diffusion behavior and a crossover between different transport regimes are observed. The diffusion barrier results in exponential attenuation of the source power, retardation of the contaminant plume growth and modification of the concentration distribution at large distances. (paper)

Quantum diffusion in a dynamically disordered medium

International Nuclear Information System (INIS)

Jayannavar, A.M.

1983-07-01

For a particle moving in a dynamically disordered continuum it is found that the exact quantum mechanical mean squared displacement 2 (t)> is proportional to t 3 , for t→infinity. The result differs qualitatively from the diffusive behaviour well known for the one-band lattice Hamiltonian, and is understandable in terms of momentum cut-off inherent in the lattice. Finally treatment for incorporating the friction in a quantum transport is given. (author)

Calculation of the mutual diffusion coefficient by equilibrium and nonequilibrium molecular dynamics

International Nuclear Information System (INIS)

Erpenbeck, J.J.; Kincaid, J.M.

1986-01-01

A nonequilibrium molecular dynamics method for the calculation of the mutual diffusion coefficient for a mixture of hard spheres is described. The method is applied to a 50-50 mixture of equidiameter particles having a mass ratio of 0.1 for the two species, at a volume of three times close-packing. By extrapolating the results to the limit of vanishing concentration gradient and infinite system size, we obtain a value in statistical agreement with the result obtained using a Green-Kubo molecular dynamics procedure, which is also described. The nonequilibrium calculation yields a mutual diffusion coefficient which decreases slightly with increasing concentration gradient. The Green-Kubo timecorrelation function for mutual diffusion displays a slow decay with time, qualitatively similar to the long-time tail which has been predicted by the hydrodynamic theory of Pomeau

Diffusion dynamics in liquid and undercooled Al-Ni alloys

Energy Technology Data Exchange (ETDEWEB)

Stueber, Sebastian

2009-10-05

This work presents data on Ni self-diffusion in binary Al-Ni alloys with high precision. For this, we combined two techniques: containerless electromagnetic levitation to position the samples, and neutron time-of-flight spectroscopy to measure the decay of the self-correlation. This combination offers new measurement ranges, especially at low temperatures, several hundreds of Kelvin below the liquidus temperature. Because without container, the primary cristallization seeds for the metallic melt are avoided. But it is also possible to measure reactive samples, and at very high temperatures at and above 2000K, as problematic reactions with the containing cask won't occur. Furthermore this technique also enables measurements at higher momentum transfer q, as one does not have to limit the q-range of the measurement to avoid Bragg peaks of the solid container material. By this time-of-flight spectroscopy on levitated metallic melts, it is possible to determine the Ni self-diffusion in these alloys directly and on an absolute scale. The dependence of the Ni self-diffusion coefficient on temperature and concentration was studied in pure Ni and binary Al-Ni alloys. In a temperature range of several hundred degrees, we always found Arrhenius-like temperature dependence of the diffusion, irrespective of possible undercooling. In the context of these measurements, we also studied the interdependence between diffusivity in the metallic melt and its quasielastic structure factor. Time-of-flight spectroscopy made it also possible to derive the dynamic partial structure factors of the binary alloy Al{sub 80}Ni{sub 20}. All this to enable a better understanding of the atomic processes in the metallic melt, especially of the undercooled melt, as an alloy is always formed out of the (undercooled) melt of its stoichiometric compounds. For this, material transport and diffusion are immensely important. The final goal would be materials design from the melt, i.e. the prediction

Diffusion dynamics in liquid and undercooled Al-Ni alloys

International Nuclear Information System (INIS)

Stueber, Sebastian

2009-01-01

This work presents data on Ni self-diffusion in binary Al-Ni alloys with high precision. For this, we combined two techniques: containerless electromagnetic levitation to position the samples, and neutron time-of-flight spectroscopy to measure the decay of the self-correlation. This combination offers new measurement ranges, especially at low temperatures, several hundreds of Kelvin below the liquidus temperature. Because without container, the primary cristallization seeds for the metallic melt are avoided. But it is also possible to measure reactive samples, and at very high temperatures at and above 2000K, as problematic reactions with the containing cask won't occur. Furthermore this technique also enables measurements at higher momentum transfer q, as one does not have to limit the q-range of the measurement to avoid Bragg peaks of the solid container material. By this time-of-flight spectroscopy on levitated metallic melts, it is possible to determine the Ni self-diffusion in these alloys directly and on an absolute scale. The dependence of the Ni self-diffusion coefficient on temperature and concentration was studied in pure Ni and binary Al-Ni alloys. In a temperature range of several hundred degrees, we always found Arrhenius-like temperature dependence of the diffusion, irrespective of possible undercooling. In the context of these measurements, we also studied the interdependence between diffusivity in the metallic melt and its quasielastic structure factor. Time-of-flight spectroscopy made it also possible to derive the dynamic partial structure factors of the binary alloy Al 80 Ni 20 . All this to enable a better understanding of the atomic processes in the metallic melt, especially of the undercooled melt, as an alloy is always formed out of the (undercooled) melt of its stoichiometric compounds. For this, material transport and diffusion are immensely important. The final goal would be materials design from the melt, i.e. the prediction of alloy

Spin Hall and spin swapping torques in diffusive ferromagnets

KAUST Repository

Pauyac, C. O.

2017-12-08

A complete set of the generalized drift-diffusion equations for a coupled charge and spin dynamics in ferromagnets in the presence of extrinsic spin-orbit coupling is derived from the quantum kinetic approach, covering major transport phenomena, such as the spin and anomalous Hall effects, spin swapping, spin precession and relaxation processes. We argue that the spin swapping effect in ferromagnets is enhanced due to spin polarization, while the overall spin texture induced by the interplay of spin-orbital and spin precessional effects displays a complex spatial dependence that can be exploited to generate torques and nucleate/propagate domain walls in centrosymmetric geometries without use of external polarizers, as opposed to the conventional understanding of spin-orbit mediated torques.

Spin Hall and spin swapping torques in diffusive ferromagnets

KAUST Repository

Pauyac, C. O.; Chshiev, M.; Manchon, Aurelien; Nikolaev, S. A.

2017-01-01

A complete set of the generalized drift-diffusion equations for a coupled charge and spin dynamics in ferromagnets in the presence of extrinsic spin-orbit coupling is derived from the quantum kinetic approach, covering major transport phenomena, such as the spin and anomalous Hall effects, spin swapping, spin precession and relaxation processes. We argue that the spin swapping effect in ferromagnets is enhanced due to spin polarization, while the overall spin texture induced by the interplay of spin-orbital and spin precessional effects displays a complex spatial dependence that can be exploited to generate torques and nucleate/propagate domain walls in centrosymmetric geometries without use of external polarizers, as opposed to the conventional understanding of spin-orbit mediated torques.

Path Integral Formulation of Anomalous Diffusion Processes

OpenAIRE

Friedrich, Rudolf; Eule, Stephan

2011-01-01

We present the path integral formulation of a broad class of generalized diffusion processes. Employing the path integral we derive exact expressions for the path probability densities and joint probability distributions for the class of processes under consideration. We show that Continuous Time Random Walks (CTRWs) are included in our framework. A closed expression for the path probability distribution of CTRWs is found in terms of their waiting time distribution as the solution of a Dyson ...

Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys

Science.gov (United States)

Kangsabanik, Jiban; Chouhan, Rajiv K.; Johnson, D. D.; Alam, Aftab

2017-09-01

Gold iron (Au-Fe) alloys are of immense interest due to their biocompatibility, anomalous Hall conductivity, and applications in various medical treatments. However, irrespective of the method of preparation, they often exhibit a high level of disorder with properties sensitive to the thermal or magnetic annealing temperatures. We calculate the lattice dynamical properties of Au1 -xFex alloys using density functional theory methods where, being multisite properties, reliable interatomic force constant (IFC) calculations in disordered alloys remain a challenge. We follow a twofold approach: (1) an accurate IFC calculation in an environment with nominally zero chemical pair correlations to mimic the homogeneously disordered alloy and (2) a configurational averaging for the desired phonon properties (e.g., dispersion, density of states, and entropy). We find an anomalous change in the IFC's and phonon dispersion (split bands) near x =0.19 , which is attributed to the local stiffening of the Au-Au bonds when Au is in the vicinity of Fe. Other results based on mechanical and thermophysical properties reflect a similar anomaly: Phonon entropy, e.g., becomes negative below x =0.19 , suggesting a tendency for chemical unmixing, reflecting the onset of a miscibility gap in the phase diagram. Our results match fairly well with reported data wherever available.

A comparison of molecular dynamics and diffuse interface model predictions of Lennard-Jones fluid evaporation

Energy Technology Data Exchange (ETDEWEB)

Barbante, Paolo [Dipartimento di Matematica, Politecnico di Milano - Piazza Leonardo da Vinci 32 - 20133 Milano (Italy); Frezzotti, Aldo; Gibelli, Livio [Dipartimento di Scienze e Tecnologie Aerospaziali, Politecnico di Milano - Via La Masa 34 - 20156 Milano (Italy)

2014-12-09

The unsteady evaporation of a thin planar liquid film is studied by molecular dynamics simulations of Lennard-Jones fluid. The obtained results are compared with the predictions of a diffuse interface model in which capillary Korteweg contributions are added to hydrodynamic equations, in order to obtain a unified description of the liquid bulk, liquid-vapor interface and vapor region. Particular care has been taken in constructing a diffuse interface model matching the thermodynamic and transport properties of the Lennard-Jones fluid. The comparison of diffuse interface model and molecular dynamics results shows that, although good agreement is obtained in equilibrium conditions, remarkable deviations of diffuse interface model predictions from the reference molecular dynamics results are observed in the simulation of liquid film evaporation. It is also observed that molecular dynamics results are in good agreement with preliminary results obtained from a composite model which describes the liquid film by a standard hydrodynamic model and the vapor by the Boltzmann equation. The two mathematical model models are connected by kinetic boundary conditions assuming unit evaporation coefficient.

Anomalous diffusion in body-centred and face-centred cubic metals

International Nuclear Information System (INIS)

Zanghi, J.-P.

1975-10-01

The initial rates of contraction due to self-irradiation damage at 4.2K in three PuSc alloys (5, 12, 18 at % Sc) stabilized in f.c.c. delta-phase were measured. The high negative value of the formation volume of a Frenkel pair which is deduced by extrapolating for pure Pu, can only be explained by assuming that the interstitial Pu may partly recover its distortion energy by creating bonds with its neighbours, by a localized enhancement of the d.f. hybridization and especially by provoking the formation of bonds between its very neighbours. It is shown that about twenty atoms around the interstitial Pu are affected by these bonds. The self-irradiation at 4.2K of a b.c.c. UPuMo alloy was also studied. The activation volume for self-diffusion of Pu in b.c.c. PuZr alloys (10 and 40 at % Zr) was determined. So the validity of Nachtrieb's melting-diffusion correlation could be checked. Indeed, in the Pu 40 at % Zr alloy, which has a pressure temperature diagram the liquidus of which has a positive slope, a positive activation volume was found, whereas in pure epsilon Pu which as a negative slope, the activation volume is negative. A self-diffusion mechanism in PuZr alloys is proposed. A study of the diffusion of Am in these alloys showed that Am and Pu likely diffuse by the same mechanism [fr

Observations of Anomalous Refraction with Co-housed Telescopes

Science.gov (United States)

Taylor, Malinda S.; McGraw, J. T.; Zimmer, P. C.

2013-01-01

Anomalous refraction is described as a low frequency, large angular scale motion of the entire image plane with respect to the celestial coordinate system as observed and defined by previous astrometric catalogs. These motions of typically several tenths of an arcsecond with timescales on the order of ten minutes are ubiquitous to drift-scan ground-based astrometric measurements regardless of location or telescopes used and have been attributed to meter scale slowly evolving coherent dynamical structures in the boundary-layer below 60 meters. The localized nature of the effect and general inconsistency of the motions seen by even closely spaced telescopes in individual domes has led to the hypothesis that the dome or other type of telescope housing may be responsible. This hypothesis is tested by observing anomalous refraction using two telescopes housed in a single roll-off roof observatory building with the expected outcome that the two telescopes will see correlated anomalous refraction induced motions.

Calculation of the mutual diffusion coefficient by equilibrium and nonequilibrium molecular dynamics

International Nuclear Information System (INIS)

Erpenbeck, J.J.; Kincaid, J.M.

1985-01-01

A nonequilibrium molecular dynamics method for the calculation of the mutual diffusion coefficient for a mixture of hard spheres is described. The method is applied to a 50-50 mixture of equidiameter particles having a mass ratio of 0.1 for the two species, at a volume of three times close-packing. By extrapolating the results to the limit of vanishing concentration gradient and infinite system size, we obtain a value in statistical agreement with the result obtained using a Green-Kubo molecular dynamics procedure which is also described. The nonequilibrium calculation yields a mutual diffusion coefficient which decreases slightly with increasing concentration gradient. The Green-Kubo time correlation function for mutual diffusion displays a slow decay with time, qualitatively similar to the long-time tail which has been predicted by the hydrodynamic theory of Pomeau

Drift wave vortices and anomalous transport

International Nuclear Information System (INIS)

Horton, W.

1990-01-01

Many plasma equations for drift waves and other modes possess vortex solutions, so it is important to consider the transport associated with vortex structures and their mutual interactions. Vortex structures occur when the amplitude of the fluctuation is sufficient to trap and circulate plasma around the vortex in one wave period. The vortex contribution of the diffusion of the passively convected scalar field was calculated. It was found that the field can be represented by the superposition of vortices and wave fluctuation components. For transport the computer solutions for the vortex-vortex collisions with various impact parameters while carrying along the passively convected scalar thermodynamic field were used. As the result, the inelastic collisions with b≅r 0 ≅1/k x cross-section σ(b)≅b exp(-b/r 0 )≅r 0 give the strongest transport. An example is shown in figure. As the final result, the anomalous diffusion D was derived in dimensional form. (M.T.)

Spectral finite element methods for solving fractional differential equations with applications in anomalous transport

Energy Technology Data Exchange (ETDEWEB)

Carella, Alfredo Raul

2012-09-15

Quantifying species transport rates is a main concern in chemical and petrochemical industries. In particular, the design and operation of many large-scale industrial chemical processes is as much dependent on diffusion as it is on reaction rates. However, the existing diffusion models sometimes fail to predict experimentally observed behaviors and their accuracy is usually insufficient for process optimization purposes. Fractional diffusion models offer multiple possibilities for generalizing Flick's law in a consistent manner in order to account for history dependence and nonlocal effects. These models have not been extensively applied to the study of real systems, mainly due to their computational cost and mathematical complexity. A least squares spectral formulation was developed for solving fractional differential equations. The proposed method was proven particularly well-suited for dealing with the numerical difficulties inherent to fractional differential operators. The practical implementation was explained in detail in order to enhance reproducibility, and directions were specified for extending it to multiple dimensions and arbitrarily shaped domains. A numerical framework based on the least-squares spectral element method was developed for studying and comparing anomalous diffusion models in pellets. This simulation tool is capable of solving arbitrary integro-differential equations and can be effortlessly adapted to various problems in any number of dimensions. Simulations of the flow around a cylindrical particle were achieved by extending the functionality of the developed framework. A test case was analyzed by coupling the boundary condition yielded by the fluid model with two families of anomalous diffusion models: hyperbolic diffusion and fractional diffusion. Qualitative guidelines for determining the suitability of diffusion models can be formulated by complementing experimental data with the results obtained from this approach.(Author)

A model for anomalous moisture diffusion through a polymer-clay nanocomposite

DEFF Research Database (Denmark)

Drozdov, Aleksey D.; Christiansen, Jesper de Claville; Gupta, R.K.

2002-01-01

Experimental data are reported on moisture diffusion and the elastoplastic response in uniaxial tensile tests of an intercalated nanocomposite with vinyl ester resin matrix and montmorillonite clay filler at room temperature. Observations in diffusion tests show that the moisture transport...... diffusion through a nanocomposite and for its elastoplastic behavior. Adjustable parameters in these relations are found by fitting the experimental data. Fair agreement is demonstrated between the observations and the results of numerical simulation....

Dynamics of a quantum two-level system under the action of phase-diffusion field

Energy Technology Data Exchange (ETDEWEB)

Sobakinskaya, E.A. [Institute for Physics of Microstructures of RAS, Nizhny Novgorod, 603950 (Russian Federation); Pankratov, A.L., E-mail: alp@ipm.sci-nnov.ru [Institute for Physics of Microstructures of RAS, Nizhny Novgorod, 603950 (Russian Federation); Vaks, V.L. [Institute for Physics of Microstructures of RAS, Nizhny Novgorod, 603950 (Russian Federation)

2012-01-09

We study a behavior of quantum two-level system, interacting with noisy phase-diffusion field. The dynamics is shown to split into two regimes, determined by the coherence time of the phase-diffusion field. For both regimes we present a model of quantum system behavior and discuss possible applications of the obtained effect for spectroscopy. In particular, the obtained analytical formula for the macroscopic polarization demonstrates that the phase-diffusion field does not affect the absorption line shape, which opens up an intriguing possibility of noisy spectroscopy, based on broadband sources with Lorentzian line shape. -- Highlights: ► We study dynamics of quantum system interacting with noisy phase-diffusion field. ► At short times the phase-diffusion field induces polarization in the quantum system. ► At long times the noise leads to polarization decay and heating of a quantum system. ► Simple model of interaction is derived. ► Application of the described effects for spectroscopy is discussed.

New Insights into the Fractional Order Diffusion Equation Using Entropy and Kurtosis.

Science.gov (United States)

Ingo, Carson; Magin, Richard L; Parrish, Todd B

2014-11-01

Fractional order derivative operators offer a concise description to model multi-scale, heterogeneous and non-local systems. Specifically, in magnetic resonance imaging, there has been recent work to apply fractional order derivatives to model the non-Gaussian diffusion signal, which is ubiquitous in the movement of water protons within biological tissue. To provide a new perspective for establishing the utility of fractional order models, we apply entropy for the case of anomalous diffusion governed by a fractional order diffusion equation generalized in space and in time. This fractional order representation, in the form of the Mittag-Leffler function, gives an entropy minimum for the integer case of Gaussian diffusion and greater values of spectral entropy for non-integer values of the space and time derivatives. Furthermore, we consider kurtosis, defined as the normalized fourth moment, as another probabilistic description of the fractional time derivative. Finally, we demonstrate the implementation of anomalous diffusion, entropy and kurtosis measurements in diffusion weighted magnetic resonance imaging in the brain of a chronic ischemic stroke patient.

New Insights into the Fractional Order Diffusion Equation Using Entropy and Kurtosis

Directory of Open Access Journals (Sweden)

Carson Ingo

2014-11-01

Full Text Available Fractional order derivative operators offer a concise description to model multi-scale, heterogeneous and non-local systems. Specifically, in magnetic resonance imaging, there has been recent work to apply fractional order derivatives to model the non-Gaussian diffusion signal, which is ubiquitous in the movement of water protons within biological tissue. To provide a new perspective for establishing the utility of fractional order models, we apply entropy for the case of anomalous diffusion governed by a fractional order diffusion equation generalized in space and in time. This fractional order representation, in the form of the Mittag–Leffler function, gives an entropy minimum for the integer case of Gaussian diffusion and greater values of spectral entropy for non-integer values of the space and time derivatives. Furthermore, we consider kurtosis, defined as the normalized fourth moment, as another probabilistic description of the fractional time derivative. Finally, we demonstrate the implementation of anomalous diffusion, entropy and kurtosis measurements in diffusion weighted magnetic resonance imaging in the brain of a chronic ischemic stroke patient.

Diffusion of aqueous solutions of ionic, zwitterionic, and polar solutes

Science.gov (United States)

Teng, Xiaojing; Huang, Qi; Dharmawardhana, Chamila Chathuranga; Ichiye, Toshiko

2018-06-01

The properties of aqueous solutions of ionic, zwitterionic, and polar solutes are of interest to many fields. For instance, one of the many anomalous properties of aqueous solutions is the behavior of water diffusion in different monovalent salt solutions. In addition, solutes can affect the stabilities of macromolecules such as proteins in aqueous solution. Here, the diffusivities of aqueous solutions of sodium chloride, potassium chloride, tri-methylamine oxide (TMAO), urea, and TMAO-urea are examined in molecular dynamics simulations. The decrease in the diffusivity of water with the concentration of simple ions and urea can be described by a simple model in which the water molecules hydrogen bonded to the solutes are considered to diffuse at the same rate as the solutes, while the remainder of the water molecules are considered to be bulk and diffuse at almost the same rate as pure water. On the other hand, the decrease in the diffusivity of water with the concentration of TMAO is apparently affected by a decrease in the diffusion rate of the bulk water molecules in addition to the decrease due to the water molecules hydrogen bonded to TMAO. In other words, TMAO enhances the viscosity of water, while urea barely affects it. Overall, this separation of water molecules into those that are hydrogen bonded to solute and those that are bulk can provide a useful means of understanding the short- and long-range effects of solutes on water.

A Fully Discrete Galerkin Method for a Nonlinear Space-Fractional Diffusion Equation

Directory of Open Access Journals (Sweden)

Yunying Zheng

2011-01-01

Full Text Available The spatial transport process in fractal media is generally anomalous. The space-fractional advection-diffusion equation can be used to characterize such a process. In this paper, a fully discrete scheme is given for a type of nonlinear space-fractional anomalous advection-diffusion equation. In the spatial direction, we use the finite element method, and in the temporal direction, we use the modified Crank-Nicolson approximation. Here the fractional derivative indicates the Caputo derivative. The error estimate for the fully discrete scheme is derived. And the numerical examples are also included which are in line with the theoretical analysis.

Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets

Energy Technology Data Exchange (ETDEWEB)

Hsu, Po Jen; Lai, S. K., E-mail: sklai@coll.phy.ncu.edu.tw [Complex Liquids Laboratory, Department of Physics, National Central University, Chungli 320, Taiwan and Molecular Science and Technology Program, Taiwan International Graduate Program, Academia Sinica, Taipei 115, Taiwan (China); Rapallo, Arnaldo [Istituto per lo Studio delle Macromolecole (ISMAC) Consiglio Nazionale delle Ricerche (CNR), via E. Bassini 15, C.A.P 20133 Milano (Italy)

2014-03-14

Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit

Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets

International Nuclear Information System (INIS)

Hsu, Po Jen; Lai, S. K.; Rapallo, Arnaldo

2014-01-01

Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit

Image processing analysis of vortex dynamics of lobed jets from three-dimensional diffusers

International Nuclear Information System (INIS)

Nastase, Ilinca; Meslem, Amina; El Hassan, Mouhammad

2011-01-01

The passive control of jet flows with the aim to enhance mixing and entrainment is of wide practical interest. Our purpose here is to develop new air diffusers for heating ventilating air conditioning systems by using lobed geometry nozzles, in order to ameliorate the users' thermal comfort. Two turbulent six-lobed air jets, issued from a lobed tubular nozzle and an innovative hemispherical lobed nozzle, were studied experimentally. It was shown that the proposed innovative concept of a lobed jet, which can be easily integrated in air diffusion devices, is very efficient regarding induction capability. A vortical dynamics analysis for the two jets is performed using a new method of image processing, namely dynamic mode decomposition. A validation of this method is also proposed suggesting that the dynamical mode decomposition (DMD) image processing method succeeds in capturing the most dominant frequencies of the flow dynamics, which in our case are related to the quite special dynamics of the Kelvin–Helmholtz vortices.

On time-dependent diffusion coefficients arising from stochastic processes with memory

Science.gov (United States)

Carpio-Bernido, M. Victoria; Barredo, Wilson I.; Bernido, Christopher C.

2017-08-01

Time-dependent diffusion coefficients arise from anomalous diffusion encountered in many physical systems such as protein transport in cells. We compare these coefficients with those arising from analysis of stochastic processes with memory that go beyond fractional Brownian motion. Facilitated by the Hida white noise functional integral approach, diffusion propagators or probability density functions (pdf) are obtained and shown to be solutions of modified diffusion equations with time-dependent diffusion coefficients. This should be useful in the study of complex transport processes.

Sub- and super-diffusion on Cantor sets: Beyond the paradox

Science.gov (United States)

K. Golmankhaneh, Alireza; Balankin, Alexander S.

2018-04-01

There is no way to build a nontrivial Markov process having continuous trajectories on a totally disconnected fractal embedded in the Euclidean space. Accordingly, in order to delineate the diffusion process on the totally disconnected fractal, one needs to relax the continuum requirement. Consequently, a diffusion process depends on how the continuum requirement is handled. This explains the emergence of different types of anomalous diffusion on the same totally disconnected set. In this regard, we argue that the number of effective spatial degrees of freedom of a random walker on the totally disconnected Cantor set is equal to nsp = [ D ] + 1, where [ D ] is the integer part of the Hausdorff dimension of the Cantor set. Conversely, the number of effective dynamical degrees of freedom (ds) depends on the definition of a Markov process on the totally disconnected Cantor set embedded in the Euclidean space En (n ≥nsp). This allows us to deduce the equation of diffusion by employing the local differential operators on the Fα-support. The exact solutions of this equation are obtained on the middle-ɛ Cantor sets for different kinds of the Markovian random processes. The relation of our findings to physical phenomena observed in complex systems is highlighted.

The restaurant at the end of the random walk: recent developments in the description of anomalous transport by fractional dynamics

International Nuclear Information System (INIS)

Metzler, Ralf; Klafter, Joseph

2004-01-01

Fractional dynamics has experienced a firm upswing during the past few years, having been forged into a mature framework in the theory of stochastic processes. A large number of research papers developing fractional dynamics further, or applying it to various systems have appeared since our first review article on the fractional Fokker-Planck equation (Metzler R and Klafter J 2000a, Phys. Rep. 339 1-77). It therefore appears timely to put these new works in a cohesive perspective. In this review we cover both the theoretical modelling of sub- and superdiffusive processes, placing emphasis on superdiffusion, and the discussion of applications such as the correct formulation of boundary value problems to obtain the first passage time density function. We also discuss extensively the occurrence of anomalous dynamics in various fields ranging from nanoscale over biological to geophysical and environmental systems. (topical review)

Nonlinear saturation of dissipative trapped ion instability and anomalous transport

International Nuclear Information System (INIS)

Sugihara, Masayoshi; Ogasawara, Masatada.

1977-04-01

An expression for the turbulent collision frequency is derived by summing up the most dominant terms from each order in the perturbation expansion in order to obtain the nonlinear saturation level of the dissipative trapped ion instability. Numerical calculation shows that the anomalous diffusion coefficient at the saturated state is in good agreement with the result of Kadomtsev and Pogutse when the effect of the magnetic shear is taken into account. (auth.)

Anomalous yet Brownian.

Science.gov (United States)

Wang, Bo; Anthony, Stephen M; Bae, Sung Chul; Granick, Steve

2009-09-08

We describe experiments using single-particle tracking in which mean-square displacement is simply proportional to time (Fickian), yet the distribution of displacement probability is not Gaussian as should be expected of a classical random walk but, instead, is decidedly exponential for large displacements, the decay length of the exponential being proportional to the square root of time. The first example is when colloidal beads diffuse along linear phospholipid bilayer tubes whose radius is the same as that of the beads. The second is when beads diffuse through entangled F-actin networks, bead radius being less than one-fifth of the actin network mesh size. We explore the relevance to dynamic heterogeneity in trajectory space, which has been extensively discussed regarding glassy systems. Data for the second system might suggest activated diffusion between pores in the entangled F-actin networks, in the same spirit as activated diffusion and exponential tails observed in glassy systems. But the first system shows exceptionally rapid diffusion, nearly as rapid as for identical colloids in free suspension, yet still displaying an exponential probability distribution as in the second system. Thus, although the exponential tail is reminiscent of glassy systems, in fact, these dynamics are exceptionally rapid. We also compare with particle trajectories that are at first subdiffusive but Fickian at the longest measurement times, finding that displacement probability distributions fall onto the same master curve in both regimes. The need is emphasized for experiments, theory, and computer simulation to allow definitive interpretation of this simple and clean exponential probability distribution.

Self-diffusion in monodisperse three-dimensional magnetic fluids by molecular dynamics simulations

Energy Technology Data Exchange (ETDEWEB)

Dobroserdova, A.B. [Ural Federal University, Lenin Av. 51, Ekaterinburg (Russian Federation); Kantorovich, S.S., E-mail: alla.dobroserdova@urfu.ru [Ural Federal University, Lenin Av. 51, Ekaterinburg (Russian Federation); University of Vienna, Sensengasse 8, Vienna (Austria)

2017-06-01

In the present work we study the self-diffusion behaviour in the three-dimensional monodisperse magnetic fluids using the Molecular Dynamics Simulation and Density Functional Theory. The peculiarity of computer simulation is to study two different systems: dipolar and soft sphere ones. In the theoretical method, it is important to choose the approximation for the main structures, which are chains. We compare the theoretical results and the computer simulation data for the self-diffusion coefficient as a function of the particle volume fraction and magnetic dipole-dipole interaction parameter and find the qualitative and quantitative agreement to be good. - Highlights: • The paper deals with the study of the self-diffusion in monodisperse three-dimensional magnetic fluids. • The theoretical approach contains the free energy density functional minimization. • Computer simulations are performed by the molecular dynamics method. • We have a good qualitative and quantitative agreement between the theoretical results and computer simulation data.

Molecular Dynamics Simulations of Liquid Phosphorus at High Temperature and Pressure

International Nuclear Information System (INIS)

Wu Yanning; Zhao Gang; Liu Changsong; Zhu Zhengang

2008-01-01

By performing ab initio molecular dynamics simulations, we have investigated the microstructure, dynamical and electronic properties of liquid phosphorus (P) under high temperature and pressure. In our simulations, the calculated coordination number (CN) changes discontinuously with density, and seems to increase rapidly after liquid P is compressed to 2.5 g/cm 3 . Under compression, liquid P shows the first-order liquid-liquid phase transition from the molecular liquid composed of the tetrahedral P 4 molecules to complex polymeric form with three-dimensional network structure, accompanied by the nonmetal to metal transition of the electronic structure. The order parameters Q 6 and Q 4 are sensitive to the microstructural change of liquid P. By calculating diffusion coefficients, we show the dynamical anomaly of liquid P by compression. At lower temperatures, a maximum exists at the diffusion coefficients as a function of density; at higher temperatures, the anomalous behavior is weakened. The excess entropy shows the same phenomena as the diffusion coefficients. By analysis of the angle distribution functions and angular limited triplet correlation functions, we can clearly find that the Peierls distortion in polymeric form of liquid P is reduced by further compression

Dense fluid self-diffusion coefficient calculations using perturbation theory and molecular dynamics

Directory of Open Access Journals (Sweden)

COELHO L. A. F.

1999-01-01

Full Text Available A procedure to correlate self-diffusion coefficients in dense fluids by using the perturbation theory (WCA coupled with the smooth-hard-sphere theory is presented and tested against molecular simulations and experimental data. This simple algebraic expression correlates well the self-diffusion coefficients of carbon dioxide, ethane, propane, ethylene, and sulfur hexafluoride. We have also performed canonical ensemble molecular dynamics simulations by using the Hoover-Nosé thermostat and the mean-square displacement formula to compute self-diffusion coefficients for the reference WCA intermolecular potential. The good agreement obtained from both methods, when compared with experimental data, suggests that the smooth-effective-sphere theory is a useful procedure to correlate diffusivity of pure substances.

Spin diffusion in disordered organic semiconductors

Science.gov (United States)

Li, Ling; Gao, Nan; Lu, Nianduan; Liu, Ming; Bässler, Heinz

2015-12-01

An analytical theory for spin diffusion in disordered organic semiconductors is derived. It is based on percolation theory and variable range hopping in a disordered energy landscape with a Gaussian density of states. It describes universally the dependence of the spin diffusion on temperature, carrier density, material disorder, magnetic field, and electric field at the arbitrary magnitude of the Hubbard energy of charge pairs. It is found that, compared to the spin transport carried by carriers hopping, the spin exchange will hinder the spin diffusion process at low carrier density, even under the condition of a weak electric field. Importantly, under the influence of a bias voltage, anomalous spreading of the spin packet will lead to an abnormal temperature dependence of the spin diffusion coefficient and diffusion length. This explains the recent experimental data for spin diffusion length observed in Alq3.

Now consider diffusion

International Nuclear Information System (INIS)

Dungey, J.W.

1984-01-01

The authors want to talk about future work, but first he will reply to Stan Cowley's comment on his naivety in believing in the whole story to 99% confidence in '65, when he knew about Fairfield's results. Does it matter whether you make the right judgment about theories? Yes, it does, particularly for experimentalists perhaps, but also for theorists. The work you do later depends on the judgment you've made on previous work. People have wasted a lot of time developing on insecure or even wrong foundations. Now for future work. One mild surprise the authors have had is that they haven't heard more about diffusion, in two contexts. Gordon Rostoker is yet to come and he may talk about particles getting into the magnetosphere by diffusion. Lots of noise is observed and so diffusion must happen. If time had not been short, the authors were planning to discuss in a handwaving way what sort of diffusion mechanisms one might consider. The other aspect of diffusion he was going to talk about is at the other end of things and is velocity diffusion, which is involved in anomalous resistivity

Anomalous gauge theories revisited

International Nuclear Information System (INIS)

Matsui, Kosuke; Suzuki, Hiroshi

2005-01-01

A possible formulation of chiral gauge theories with an anomalous fermion content is re-examined in light of the lattice framework based on the Ginsparg-Wilson relation. It is shown that the fermion sector of a wide class of anomalous non-abelian theories cannot consistently be formulated within this lattice framework. In particular, in 4 dimension, all anomalous non-abelian theories are included in this class. Anomalous abelian chiral gauge theories cannot be formulated with compact U(1) link variables, while a non-compact formulation is possible at least for the vacuum sector in the space of lattice gauge fields. Our conclusion is not applied to effective low-energy theories with an anomalous fermion content which are obtained from an underlying anomaly-free theory by sending the mass of some of fermions to infinity. For theories with an anomalous fermion content in which the anomaly is cancelled by the Green-Schwarz mechanism, a possibility of a consistent lattice formulation is not clear. (author)

Diffusive dynamics during the high-to-low density transition in amorphous ice

Science.gov (United States)

Perakis, Fivos; Amann-Winkel, Katrin; Lehmkühler, Felix; Sprung, Michael; Mariedahl, Daniel; Sellberg, Jonas A.; Pathak, Harshad; Späh, Alexander; Cavalca, Filippo; Schlesinger, Daniel; Ricci, Alessandro; Jain, Avni; Massani, Bernhard; Aubree, Flora; Benmore, Chris J.; Loerting, Thomas; Grübel, Gerhard; Pettersson, Lars G. M.; Nilsson, Anders

2017-08-01

Water exists in high- and low-density amorphous ice forms (HDA and LDA), which could correspond to the glassy states of high- (HDL) and low-density liquid (LDL) in the metastable part of the phase diagram. However, the nature of both the glass transition and the high-to-low-density transition are debated and new experimental evidence is needed. Here we combine wide-angle X-ray scattering (WAXS) with X-ray photon-correlation spectroscopy (XPCS) in the small-angle X-ray scattering (SAXS) geometry to probe both the structural and dynamical properties during the high-to-low-density transition in amorphous ice at 1 bar. By analyzing the structure factor and the radial distribution function, the coexistence of two structurally distinct domains is observed at T = 125 K. XPCS probes the dynamics in momentum space, which in the SAXS geometry reflects structural relaxation on the nanometer length scale. The dynamics of HDA are characterized by a slow component with a large time constant, arising from viscoelastic relaxation and stress release from nanometer-sized heterogeneities. Above 110 K a faster, strongly temperature-dependent component appears, with momentum transfer dependence pointing toward nanoscale diffusion. This dynamical component slows down after transition into the low-density form at 130 K, but remains diffusive. The diffusive character of both the high- and low-density forms is discussed among different interpretations and the results are most consistent with the hypothesis of a liquid-liquid transition in the ultraviscous regime.

Carbon diffusion in molten uranium: an ab initio molecular dynamics study

Science.gov (United States)

Garrett, Kerry E.; Abrecht, David G.; Kessler, Sean H.; Henson, Neil J.; Devanathan, Ram; Schwantes, Jon M.; Reilly, Dallas D.

2018-04-01

In this work we used ab initio molecular dynamics within the framework of density functional theory and the projector-augmented wave method to study carbon diffusion in liquid uranium at temperatures above 1600 K. The electronic interactions of carbon and uranium were described using the local density approximation (LDA). The self-diffusion of uranium based on this approach is compared with literature computational and experimental results for liquid uranium. The temperature dependence of carbon and uranium diffusion in the melt was evaluated by fitting the resulting diffusion coefficients to an Arrhenius relationship. We found that the LDA calculated activation energy for carbon was nearly twice that of uranium: 0.55 ± 0.03 eV for carbon compared to 0.32 ± 0.04 eV for uranium. Structural analysis of the liquid uranium-carbon system is also discussed.

New sensitive micro-measurements of dynamic surface tension and diffusion coefficients

DEFF Research Database (Denmark)

Kinoshita, Koji; Ortiz, Elisa Parra; Needham, David

2017-01-01

Currently available dynamic surface tension (DST) measurement methods, such as Wilhelmy plate, droplet- or bubble-based methods, still have various experimental limitations such as the large size of the interface, convection in the solution, or a certain “dead time” at initial measurement....... These limitations create inconsistencies for the kinetic analysis of surfactant adsorption/desorption, especially significant for ionic surfactants. Here, the “micropipette interfacial area-expansion method” was introduced and validated as a new DST measurement having a high enough sensitivity to detect diffusion...... for surface excess concentration. We found that the measured diffusion coefficient of 1-Octanol, 7.2 ± 0.8 × 10−6 cm2/s, showed excellent agreement with the result from an alternative method, “single microdroplet catching method”, to measure the diffusion coefficient from diffusion-controlled microdroplet...

Symmetry properties of fractional diffusion equations

Energy Technology Data Exchange (ETDEWEB)

Gazizov, R K; Kasatkin, A A; Lukashchuk, S Yu [Ufa State Aviation Technical University, Karl Marx strausse 12, Ufa (Russian Federation)], E-mail: gazizov@mail.rb.ru, E-mail: alexei_kasatkin@mail.ru, E-mail: lsu@mail.rb.ru

2009-10-15

In this paper, nonlinear anomalous diffusion equations with time fractional derivatives (Riemann-Liouville and Caputo) of the order of 0-2 are considered. Lie point symmetries of these equations are investigated and compared. Examples of using the obtained symmetries for constructing exact solutions of the equations under consideration are presented.

Fractional diffusion equation for heterogeneous medium

International Nuclear Information System (INIS)

Polo L, M. A.; Espinosa M, E. G.; Espinosa P, G.; Del Valle G, E.

2011-11-01

The asymptotic diffusion approximation for the Boltzmann (transport) equation was developed in 1950 decade in order to describe the diffusion of a particle in an isotropic medium, considers that the particles have a diffusion infinite velocity. In this work is developed a new approximation where is considered that the particles have a finite velocity, with this model is possible to describe the behavior in an anomalous medium. According with these ideas the model was obtained from the Fick law, where is considered that the temporal term of the current vector is not negligible. As a result the diffusion equation of fractional order which describes the dispersion of particles in a highly heterogeneous or disturbed medium is obtained, i.e., in a general medium. (Author)

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

Science.gov (United States)

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

2018-02-01

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

Anomalous Micellization of Pluronic Block Copolymers

Science.gov (United States)

Leonardi, Amanda; Ryu, Chang Y.

2014-03-01

Poly(ethylene oxide) - poly(propylene oxide) - poly(ethylene oxide) (PEO-PPO-PEO) block copolymers, commercially known as Pluronics, are a unique family of amphiphilic triblock polymers, which self-assemble into micelles in aqueous solution. These copolymers have shown promise in therapeutic, biomedical, cosmetic, and nanotech applications. As-received samples of Pluronics contain low molecular weight impurities (introduced during the manufacturing and processing), that are ignored in most applications. It has been observed, however, that in semi-dilute aqueous solutions, at concentrations above 1 wt%, the temperature dependent micellization behavior of the Pluronics is altered. Anomalous behavior includes a shift of the critical micellization temperature and formation of large aggregates at intermediate temperatures before stable sized micelles form. We attribute this behavior to the low molecular weight impurities that are inherent to the Pluronics which interfere with the micellization process. Through the use of Dynamic Light Scattering and HPLC, we compared the anomalous behavior of different Pluronics of different impurity levels to their purified counterparts.

A percolation-like model for simulating inter-cellular diffusion in the context of bystander signalling in tumour

International Nuclear Information System (INIS)

Moulton, C.R.; Fleming, A.J.; Ebert, M.A.

2011-01-01

Full text: Despite ongoing active research, the role of the radiation bystander effect in modifying local tissue response to an ionising radiation dose remains unclear. The present study aims to provide new insight by simulating the diffusion-mediated inter-cellular communication processes in 2D and 3D cell-like structures to calculate likely signal ranges in the diffusion limited case. Random walks of individual signalling molecules were tracked between cells with inclusion of molecule-receptor interactions. The resulting diffusion anomaly is a function of cell density, signal uptake probability and the spatial arrangement of cells local to the signal origin. Uptake probability effects dominate percolation effects in disordered media. Diffu sion through 2D structures is more conducive to anomalous diffusion than diffusion through 3D structures. Values for time-dependent diffusion constants and permeability are derived for typical simulation parameters. Even at low signal uptake probabilities the communication range is restricted to a mean value of less than 100 foun owing to complete signal uptake by 600 s. This should be considered in light of the potential influence of signal relaying, flo dynamics or vasculature-mediated signalling.

Utility of dynamic computed tomography in diffuse liver diseases

International Nuclear Information System (INIS)

Fujikawa, Koichi; Inagawa, Akira; Yokoyama, Tatsushi; Iwamoto, Toshiyuki; Katayama, Hiroshi; Mori, Masaki; Ito, Katsuhide; Katsuta, Shizutomo.

1985-01-01

We tested the diagnostic abilities of dynamic CT in diffuse liver diseases. The material includes 23 cases of chronic active hepatitis (CAH), 32 cases of liver cirrhosis (LC) and 15 cases with normal liver. For each case, time-density curve was obtained from the right lobe of the liver. To allow numerical evaluation of the curve, gamma variate fit techniques were employed. Changes in the curves were analyzed by comparing three parameters-rise time (RT), decay time (DT) and corrected first moment (MC)-derived from two coefficients of the fitting equation. Values of three parameters increased with the severity of the diseases reflecting prolonged curves with delayed peak and gradual downslope in damaged livers. MC values showed most significant correlation with the degree of the diseases. High MC value (>95) were associated with 30 cases of LC and 3 cases of CHA, and moderate MC value (70< MC<=95) with 19 cases of CAH and 2 controls, and low MC value (<=70) with 15 controls and a case of CAH. We conclude that dynamic CT time-density study with gamma variate fitting is useful in the differential diagnosis of the diffuse liver diseases. (author)

Fractional Klein–Kramers dynamics for subdiffusion and Itô formula

International Nuclear Information System (INIS)

Orzeł, Sebastian; Weron, Aleksander

2011-01-01

Subdiffusion in the presence of an external force field has been recently described in phase space by the fractional Klein–Kramers equation. In this paper using a subordination method, we identify a two-dimensional stochastic process (position, velocity) whose probability density function is a solution of the fractional Klein–Kramers equation. The structure of this process agrees with the two-stage scenario underlying the anomalous diffusion mechanism, in which trapping events are superimposed on the Langevin dynamics. Applying an extension of the celebrated Itô formula for subdiffusion we found that the velocity process can be represented explicitly by a corresponding fractional Ornstein–Uhlenbeck process. A basic feature arising in the context of this stochastic representation is the random change of time of the system made by subordination. For the position and velocity processes we present a computer visualization of their sample paths and we derive an explicit expression for the two-point correlation function of the velocity process. The obtained stochastic representation is crucial in constructing an algorithm to simulate sample paths of the anomalous diffusion, which in turn allows us to detect and examine many relevant properties of the system under consideration

Prediction and validation of diffusion coefficients in a model drug delivery system using microsecond atomistic molecular dynamics simulation and vapour sorption analysis.

Science.gov (United States)

Forrey, Christopher; Saylor, David M; Silverstein, Joshua S; Douglas, Jack F; Davis, Eric M; Elabd, Yossef A

2014-10-14

Diffusion of small to medium sized molecules in polymeric medical device materials underlies a broad range of public health concerns related to unintended leaching from or uptake into implantable medical devices. However, obtaining accurate diffusion coefficients for such systems at physiological temperature represents a formidable challenge, both experimentally and computationally. While molecular dynamics simulation has been used to accurately predict the diffusion coefficients, D, of a handful of gases in various polymers, this success has not been extended to molecules larger than gases, e.g., condensable vapours, liquids, and drugs. We present atomistic molecular dynamics simulation predictions of diffusion in a model drug eluting system that represent a dramatic improvement in accuracy compared to previous simulation predictions for comparable systems. We find that, for simulations of insufficient duration, sub-diffusive dynamics can lead to dramatic over-prediction of D. We present useful metrics for monitoring the extent of sub-diffusive dynamics and explore how these metrics correlate to error in D. We also identify a relationship between diffusion and fast dynamics in our system, which may serve as a means to more rapidly predict diffusion in slowly diffusing systems. Our work provides important precedent and essential insights for utilizing atomistic molecular dynamics simulations to predict diffusion coefficients of small to medium sized molecules in condensed soft matter systems.

Diffraction anomalous fine structure using X-ray anomalous dispersion

International Nuclear Information System (INIS)

Soejima, Yuji; Kuwajima, Shuichiro

1998-01-01

A use of X-ray anomalous dispersion effects for structure investigation has recently been developed by using synchrotron radiation. One of the interesting method is the observation of anomalous fine structure which arise on diffraction intensity in energy region of incident X-ray at and higher than absorption edge. The phenomenon is so called Diffraction Anomalous Fine Structure (DAFS). DAFS originates in the same physical process an that of EXAFS: namely photoelectric effect at the corresponding atom and the interaction of photoelectron waves between the atom and neighboring atoms. In contrast with EXAFS, the method is available for only the crystalline materials, but shows effective advantages of the structure investigations by a use of diffraction: one is the site selectivity and the other is space selectivity. In the present study, demonstrations of a use of X-ray anomalous dispersion effect for the superstructure determination will be given for the case of PbZrO 3 , then recent trial investigations of DAFS in particular on the superlattice reflections will be introduced. In addition, we discuss about Forbidden Reflection near Edge Diffraction (FRED) which is more recently investigated as a new method of the structure analysis. (author)

Mean-squared displacements for normal and anomalous diffusion of grains

International Nuclear Information System (INIS)

Trigger, S A; Heijst, G J F van; Schram, P P J M

2005-01-01

The problem of normal and anomalous space difiusion is formulated on the basis of the integral equations with various type of the probability transition functions for difiusion (PTD functions). For the cases of stationary and time-independent PTD functions the method of fractional differentiation is avoided to construct the correct probability distributions for arbitrary distances, what is important for applications to different stochastic problems. A new general integral equation for the particle distribution, which contains the time-dependent PTD function with one or, for more complicated physical situations, with two times, is formulated and discussed. On this basis fractional differentiation in time is also avoided and a wide class of time dependent PTD functions can be investigated. Calculations of the mean-squared displacements for the various cases are performed on the basis of formulated approach. The particular problems for the PTD functions, dependable from one and for two times, are solved

Unparticles and anomalous dimensions in the cuprates

Energy Technology Data Exchange (ETDEWEB)

Karch, Andreas [Department of Physics, University of Washington,3910 15th Ave. NE, Seattle, WA 98195-1560 (United States); Limtragool, Kridsanaphong; Phillips, Philip W. [Department of Physics and Institute for Condensed Matter Theory, University of Illinois,1110 W. Green Street, Urbana, IL 61801 (United States)

2016-03-25

Motivated by the overwhelming evidence some type of quantum criticality underlies the power-law for the optical conductivity and T−linear resistivity in the cuprates, we demonstrate here how a scale-invariant or unparticle sector can lead to a unifying description of the observed scaling forms. We adopt the continuous mass formalism or multi band (flavor) formalism of the unparticle sector by letting various microscopic parameters be mass-dependent. In particular, we show that an effective mass that varies with the flavor index as well as a running band edge and lifetime capture the AC and DC transport phenomenology of the cuprates. A key consequence of the running mass is that the effective dynamical exponent can differ from the underlying bare critical exponent, thereby providing a mechanism for realizing the fractional values of the dynamical exponent required in a previous analysis http://dx.doi.org/10.1103/PhysRevB.91.155126. We also predict that regardless of the bare dynamical exponent, z, a non-zero anomalous dimension for the current is required. Physically, the anomalous dimension arises because the charge depends on the flavor, mass or energy. The equivalent phenomenon in a d+1 gravitational construction is the running of the charge along the radial direction. The nature of the superconducting instability in the presence of scale invariant stuff shows that the transition temperature is not necessarily a monotonic function of the pairing interaction.

EEG dynamical correlates of focal and diffuse causes of coma.

Science.gov (United States)

Kafashan, MohammadMehdi; Ryu, Shoko; Hargis, Mitchell J; Laurido-Soto, Osvaldo; Roberts, Debra E; Thontakudi, Akshay; Eisenman, Lawrence; Kummer, Terrance T; Ching, ShiNung

2017-11-15

Rapidly determining the causes of a depressed level of consciousness (DLOC) including coma is a common clinical challenge. Quantitative analysis of the electroencephalogram (EEG) has the potential to improve DLOC assessment by providing readily deployable, temporally detailed characterization of brain activity in such patients. While used commonly for seizure detection, EEG-based assessment of DLOC etiology is less well-established. As a first step towards etiological diagnosis, we sought to distinguish focal and diffuse causes of DLOC through assessment of temporal dynamics within EEG signals. We retrospectively analyzed EEG recordings from 40 patients with DLOC with consensus focal or diffuse culprit pathology. For each recording, we performed a suite of time-series analyses, then used a statistical framework to identify which analyses (features) could be used to distinguish between focal and diffuse cases. Using cross-validation approaches, we identified several spectral and non-spectral EEG features that were significantly different between DLOC patients with focal vs. diffuse etiologies, enabling EEG-based classification with an accuracy of 76%. Our findings suggest that DLOC due to focal vs. diffuse injuries differ along several electrophysiological parameters. These results may form the basis of future classification strategies for DLOC and coma that are more etiologically-specific and therefore therapeutically-relevant.

Direct Observation of Heavy-Tailed Storage Times of Bed Load Tracer Particles Causing Anomalous Superdiffusion

Science.gov (United States)

Bradley, D. Nathan

2017-12-01

A consensus has formed that the step length distribution of fluvial bed load is thin tailed and that the observed anomalous superdiffusion of bed load tracer particles must arise from heavy-tailed resting times. However, heavy-tailed resting times have never been directly observed in the field over multiple floods. Using 9 years of data from a large bed load tracer experiment, I show that the spatial variance of the tracer plume scales faster than linearly with integrated excess stream power, indicating anomalous superdiffusion. The superdiffusion is caused by a heavy-tailed distribution of observed storage times that is fit with a truncated Pareto distribution with a tail parameter that is predicted by anomalous diffusion theory. The heavy-tailed distribution of storage times causes the tracer virtual velocity to slow over time, indicated by a sublinear increase in the mean displacement that is predicted by the storage time distribution tail parameter.

Molecular dynamics simulation of metallic impurity diffusion in liquid lead-bismuth eutectic (LBE)

Science.gov (United States)

Gao, Yun; Takahashi, Minoru; Cavallotti, Carlo; Raos, Guido

2018-04-01

Corrosion of stainless steels by lead-bismuth eutectic (LBE) is an important problem which depends, amongst other things, on the diffusion of the steel components inside this liquid alloy. Here we present the results of classical molecular dynamics simulations of the diffusion of Fe and Ni within LBE. The simulations complement experimental studies of impurity diffusion by our group and provide an atomic-level understanding of the relevant diffusion phenomena. They are based on the embedded atom method (EAM) to represent many-body interactions among atoms. The EAM potentials employed in our simulations have been validated against ab initio density functional calculations. We show that the experimental and simulation results for the temperature-dependent viscosity of LBE and the impurity diffusion coefficients can be reconciled by assuming that the Ni and Fe diffuse mainly as nanoscopic clusters below 1300 K. The average Fe and Ni cluster sizes decrease with increasing the temperature and there is essentially single-atom diffusion at higher temperatures.

Suppression of anomalous synchronization and nonstationary behavior of neural network under small-world topology

Science.gov (United States)

Boaretto, B. R. R.; Budzinski, R. C.; Prado, T. L.; Kurths, J.; Lopes, S. R.

2018-05-01

It is known that neural networks under small-world topology can present anomalous synchronization and nonstationary behavior for weak coupling regimes. Here, we propose methods to suppress the anomalous synchronization and also to diminish the nonstationary behavior occurring in weakly coupled neural network under small-world topology. We consider a network of 2000 thermally sensitive identical neurons, based on the model of Hodgkin-Huxley in a small-world topology, with the probability of adding non local connection equal to p = 0 . 001. Based on experimental protocols to suppress anomalous synchronization, as well as nonstationary behavior of the neural network dynamics, we make use of (i) external stimulus (pulsed current); (ii) biologic parameters changing (neuron membrane conductance changes); and (iii) body temperature changes. Quantification analysis to evaluate phase synchronization makes use of the Kuramoto's order parameter, while recurrence quantification analysis, particularly the determinism, computed over the easily accessible mean field of network, the local field potential (LFP), is used to evaluate nonstationary states. We show that the methods proposed can control the anomalous synchronization and nonstationarity occurring for weak coupling parameter without any effect on the individual neuron dynamics, neither in the expected asymptotic synchronized states occurring for large values of the coupling parameter.

Fractional diffusion models of nonlocal transport

International Nuclear Information System (INIS)

Castillo-Negrete, D. del

2006-01-01

A class of nonlocal models based on the use of fractional derivatives (FDs) is proposed to describe nondiffusive transport in magnetically confined plasmas. FDs are integro-differential operators that incorporate in a unified framework asymmetric non-Fickian transport, non-Markovian ('memory') effects, and nondiffusive scaling. To overcome the limitations of fractional models in unbounded domains, we use regularized FDs that allow the incorporation of finite-size domain effects, boundary conditions, and variable diffusivities. We present an α-weighted explicit/implicit numerical integration scheme based on the Grunwald-Letnikov representation of the regularized fractional diffusion operator in flux conserving form. In sharp contrast with the standard diffusive model, the strong nonlocality of fractional diffusion leads to a linear in time response for a decaying pulse at short times. In addition, an anomalous fractional pinch is observed, accompanied by the development of an uphill transport region where the 'effective' diffusivity becomes negative. The fractional flux is in general asymmetric and, for steady states, it has a negative (toward the core) component that enhances confinement and a positive component that increases toward the edge and leads to poor confinement. The model exhibits the characteristic anomalous scaling of the confinement time, τ, with the system's size, L, τ∼L α , of low-confinement mode plasma where 1<α<2 is the order of the FD operator. Numerical solutions of the model with an off-axis source show that the fractional inward transport gives rise to profile peaking reminiscent of what is observed in tokamak discharges with auxiliary off-axis heating. Also, cold-pulse perturbations to steady sates in the model exhibit fast, nondiffusive propagation phenomena that resemble perturbative experiments

Disorder effect on chiral edge modes and anomalous Hall conductance in Weyl semimetals

International Nuclear Information System (INIS)

Takane, Yositake

2016-01-01

Typical Weyl semimetals host chiral surface states and hence show an anomalous Hall response. Although a Weyl semimetal phase is known to be robust against weak disorder, the effect of disorder on chiral states has not been fully clarified so far. We study the behavior of such chiral states in the presence of disorder and its consequences on an anomalous Hall response, focusing on a thin slab of Weyl semimetal with chiral surface states along its edge. It is shown that weak disorder does not disrupt chiral edge states but crucially affects them owing to the renormalization of a mass parameter: the number of chiral edge states changes depending on the strength of disorder. It is also shown that the Hall conductance is quantized when the Fermi level is located near Weyl nodes within a finite-size gap. This quantization of the Hall conductance collapses once the strength of disorder exceeds a critical value, suggesting that it serves as a probe to distinguish a Weyl semimetal phase from a diffusive anomalous Hall metal phase. (author)

One- and two-cluster synchronized dynamics of non-diffusively coupled Tchebycheff map networks

International Nuclear Information System (INIS)

Schäfer, Mirko; Greiner, Martin

2012-01-01

We use the master stability formalism to discuss one- and two-cluster synchronization of coupled Tchebycheff map networks. For diffusively coupled map systems, the one-cluster synchronized dynamics is given by the behaviour of the individual maps, and the coupling only determines the stability of the coherent state. For the case of non-diffusive coupling and for two-cluster synchronization, the synchronized dynamics on networks is different from the behaviour of the single individual map. Depending on the coupling, we study numerically the characteristics of various forms of the resulting synchronized dynamics. The stability properties of the respective one-cluster synchronized states are discussed for arbitrary network structures. For the case of two-cluster synchronization on bipartite networks we also present analytical expressions for fixed points and zig-zag patterns, and explicitly determine the linear stability of these orbits for the special case of ring-networks.

CO2 diffusion in champagne wines: a molecular dynamics study.

Science.gov (United States)

Perret, Alexandre; Bonhommeau, David A; Liger-Belair, Gérard; Cours, Thibaud; Alijah, Alexander

2014-02-20

Although diffusion is considered as the main physical process responsible for the nucleation and growth of carbon dioxide bubbles in sparkling beverages, the role of each type of molecule in the diffusion process remains unclear. In the present study, we have used the TIP5P and SPC/E water models to perform force field molecular dynamics simulations of CO2 molecules in water and in a water/ethanol mixture respecting Champagne wine proportions. CO2 diffusion coefficients were computed by applying the generalized Fick's law for the determination of multicomponent diffusion coefficients, a law that simplifies to the standard Fick's law in the case of champagnes. The CO2 diffusion coefficients obtained in pure water and water/ethanol mixtures composed of TIP5P water molecules were always found to exceed the coefficients obtained in mixtures composed of SPC/E water molecules, a trend that was attributed to a larger propensity of SPC/E water molecules to form hydrogen bonds. Despite the fact that the SPC/E model is more accurate than the TIP5P model to compute water self-diffusion and CO2 diffusion in pure water, the diffusion coefficients of CO2 molecules in the water/ethanol mixture are in much better agreement with the experimental values of 1.4 - 1.5 × 10(-9) m(2)/s obtained for Champagne wines when the TIP5P model is employed. This difference was deemed to rely on the larger propensity of SPC/E water molecules to maintain the hydrogen-bonded network between water molecules and form new hydrogen bonds with ethanol, although statistical issues cannot be completely excluded. The remarkable agreement between the theoretical CO2 diffusion coefficients obtained within the TIP5P water/ethanol mixture and the experimental data specific to Champagne wines makes us infer that the diffusion coefficient in these emblematic hydroalcoholic sparkling beverages is expected to remain roughly constant whathever their proportions in sugars, glycerol, or peptides.

Anomalous CO2 Emissions in Different Ecosystems Around the World

Science.gov (United States)

Sanchez-Canete, E. P.; Moya Jiménez, M. R.; Kowalski, A. S.; Serrano-Ortiz, P.; López-Ballesteros, A.; Oyonarte, C.; Domingo, F.

2016-12-01

As an important tool for understanding and monitoring ecosystem dynamics at ecosystem level, the eddy covariance (EC) technique allows the assessment of the diurnal and seasonal variation of the net ecosystem exchange (NEE). Despite the high temporal resolution data available, there are still many processes (in addition to photosynthesis and respiration) that, although they are being monitored, have been neglected. Only a few authors have studied anomalous CO2 emissions (non biological), and have related them to soil ventilation, photodegradation or geochemical processes. The aim of this study is: 1) to identify anomalous short term CO2 emissions in different ecosystems distributed around the world, 2) to determine the meteorological variables that are influencing these emissions, and 3) to explore the potential processes that can be involved. We have studied EC data together with other meteorological ancillary variables obtained from the FLUXNET database (version 2015) and have found more than 50 sites with anomalous CO2 emissions in different ecosystem types such as grasslands, croplands or savannas. Data were filtered according to the FLUXNET quality control flags (only data with quality control flag equal to 0 was used) and correlation analysis were performed with NEE and ancillary data. Preliminary results showed strong and highly significant correlations between meteorological variables and anomalous CO2 emissions. Correlation results showed clear differing behaviors between ecosystems types, which could be related to the different processes involved in the anomalous CO2 emissions. We suggest that anomalous CO2 emissions are happening globally and therefore, their contribution to the global net ecosystem carbon balance requires further investigation in order to better understand its drivers.

Tracer diffusion in a polymer gel: simulations of static and dynamic 3D networks using spherical boundary conditions

International Nuclear Information System (INIS)

Kamerlin, Natasha; Elvingson, Christer

2016-01-01

We have investigated an alternative to the standard periodic boundary conditions for simulating the diffusion of tracer particles in a polymer gel by performing Brownian dynamics simulations using spherical boundary conditions. The gel network is constructed by randomly distributing tetravalent cross-linking nodes and connecting nearest pairs. The final gel structure is characterised by the radial distribution functions, chain lengths and end-to-end distances, and the pore size distribution. We have looked at the diffusion of tracer particles with a wide range of sizes, diffusing in both static and dynamic networks of two different volume fractions. It is quantitatively shown that the dynamical effect of the network becomes more important in facilitating the diffusional transport for larger particle sizes, and that one obtains a finite diffusion also for particle sizes well above the maximum in the pore size distribution. (paper)

Dynamics of interface in three-dimensional anisotropic bistable reaction-diffusion system

International Nuclear Information System (INIS)

He Zhizhu; Liu, Jing

2010-01-01

This paper presents a theoretical investigation of dynamics of interface (wave front) in three-dimensional (3D) reaction-diffusion (RD) system for bistable media with anisotropy constructed by means of anisotropic surface tension. An equation of motion for the wave front is derived to carry out stability analysis of transverse perturbations, which discloses mechanism of pattern formation such as labyrinthine in 3D bistable media. Particularly, the effects of anisotropy on wave propagation are studied. It was found that, sufficiently strong anisotropy can induce dynamical instabilities and lead to breakup of the wave front. With the fast-inhibitor limit, the bistable system can further be described by a variational dynamics so that the boundary integral method is adopted to study the dynamics of wave fronts.

Diffusion constant in hot and dense hadronic matter. A hadro-molecular-dynamic calculation

International Nuclear Information System (INIS)

Sasaki, N.; Miyamura, O.; Muroya, S.; Nonaka, C.

2002-01-01

We evaluate baryon/charge diffusion constant of dense and hot hadronic matter based on the molecular dynamical method by using a hadronic collision generator which describes nuclear collisions at energies 10 1-2 GeV/A and satisfies detailed balance at low temperatures (T ≤ 200 MeV). For the hot and dense hadronic matter of the temperature range, T = 100 - 200 MeV and baryon number density, n B =0.16 fm -3 - 0.32 fm -3 , charge diffusion constant D gradually increases from 0.5 fmc to 2 fmc with temperature and is almost independent of baryon number density. Based on the obtained diffusion constant we make simple discussions on the diffusion of charge fluctuation in ultrarelativistic nuclear collisions. (author)

Theory and simulation of time-fractional fluid diffusion in porous media

International Nuclear Information System (INIS)

Carcione, José M; Sanchez-Sesma, Francisco J; Gavilán, Juan J Perez; Luzón, Francisco

2013-01-01

We simulate a fluid flow in inhomogeneous anisotropic porous media using a time-fractional diffusion equation and the staggered Fourier pseudospectral method to compute the spatial derivatives. A fractional derivative of the order of 0 < ν < 2 replaces the first-order time derivative in the classical diffusion equation. It implies a time-dependent permeability tensor having a power-law time dependence, which describes memory effects and accounts for anomalous diffusion. We provide a complete analysis of the physics based on plane waves. The concepts of phase, group and energy velocities are analyzed to describe the location of the diffusion front, and the attenuation and quality factors are obtained to quantify the amplitude decay. We also obtain the frequency-domain Green function. The time derivative is computed with the Grünwald–Letnikov summation, which is a finite-difference generalization of the standard finite-difference operator to derivatives of fractional order. The results match the analytical solution obtained from the Green function. An example of the pressure field generated by a fluid injection in a heterogeneous sandstone illustrates the performance of the algorithm for different values of ν. The calculation requires storing the whole pressure field in the computer memory since anomalous diffusion ‘recalls the past’. (paper)

Absolute negative mobility in the anomalous diffusion

Science.gov (United States)

Chen, Ruyin; Chen, Chongyang; Nie, Linru

2017-12-01

Transport of an inertial Brownian particle driven by the multiplicative Lévy noise was investigated here. Numerical results indicate that: (i) The Lévy noise is able to induce absolute negative mobility (ANM) in the system, while disappearing in the deterministic case; (ii) the ANM can occur in the region of superdiffusion while disappearing in the region of normal diffusion, and the appropriate stable index of the Lévy noise makes the particle move along the opposite direction of the bias force to the maximum degree; (iii) symmetry breaking of the Lévy noise also causes the ANM effect. In addition, the intrinsic physical mechanism and conditions for the ANM to occur are discussed in detail. Our results have the implication that the Lévy noise plays an important role in the occurrence of the ANM phenomenon.

Ergodicity breaking and ageing of underdamped Brownian dynamics with quenched disorder

Science.gov (United States)

Guo, Wei; Li, Yong; Song, Wen-Hua; Du, Lu-Chun

2018-03-01

The dynamics of an underdamped Brownian particle moving in one-dimensional quenched disorder under the action of an external force is investigated. Within the tailored parameter regime, the transiently anomalous diffusion and ergodicity breaking, spanning several orders of magnitude in time, have been obtained. The ageing nature of the system weakens as the dissipation of the system increases for other given parameters. Its origin is ascribed to the highly local heterogeneity of the disorder. Two kinds of approximations (in the stationary state), respectively, for large bias and large damping are derived. These results may be helpful in further understanding the nontrivial response of nonlinear dynamics, and also have potential applications to experiments and activities of biological processes.

Molecular dynamics simulations of interfacial interactions between small nanoparticles during diffusion-limited aggregation

International Nuclear Information System (INIS)

Lu, Jing; Liu, Dongmei; Yang, Xiaonan; Zhao, Ying; Liu, Haixing; Tang, Huan; Cui, Fuyi

2015-01-01

Graphical abstract: - Highlights: • Diffusion-limited aggregation is analyzed using molecular dynamic simulations. • The aggregation processand aggregate structure vary with particle size. • Particle-particle interaction and surface diffusion result in direct bonding. • Water-mediated interaction is responsible for the separation betweennanoparticles. - Abstract: Due to the limitations of experimental methods at the atomic level, research on the aggregation of small nanoparticles (D < 5 nm) in aqueous solutions is quite rare. The aggregation of small nanoparticles in aqueous solutions is very different than that of normal sized nanoparticles. The interfacial interactions play a dominant role in the aggregation of small nanoparticles. In this paper, molecular dynamics simulations, which can explore the microscopic behavior of nanoparticles during the diffusion-limited aggregation at an atomic level, were employed to reveal the aggregation mechanism of small nanoparticles in aqueous solutions. First, the aggregation processes and aggregate structure were depicted. Second, the particle–particle interaction and surface diffusion of nanoparticles during aggregation were investigated. Third, the water-mediated interactions during aggregation were ascertained. The results indicate that the aggregation of nanoparticle in aqueous solutions is affected by particle size. The strong particle–particle interaction and high surface diffusion result in the formation of particle–particle bonds of 2 nm TiO 2 nanoparticles, and the water-mediated interaction plays an important role in the aggregation process of 3 and 4 nm TiO 2 nanoparticles.

Numerical simulation of the anomalous transport at the plasma-edge

International Nuclear Information System (INIS)

Pohn, E.

2001-03-01

In addition to the classical transport which is caused by Coloumb-collisions two further transport mechanisms take place in an inhomogeneous magnetically confined thermonuclear fusion-plasma, the neoclassical and the anomalous transport. The anomalous transport is caused by collective motion of the plasma-particles respectively turbulence and essentially affects the energy-confinement-time of the plasma. The energy-confinement-time in turn constitutes an important criterion with respect to the feasibility of using nuclear fusion for energy production. The anomalous transport is theoretically not yet well understood. By means of numerical simulations of the anomalous transport in the plasma edge, it is the intention of this work to contribute to the understanding of this transport mechanism. The Vlasov-Poisson-system constitutes the starting point for all performed simulations. This system consists of kinetic equations, which model for each particle-species the motion of the particles composing the plasma in six-dimensional phase-space. A coupling of these kinetic equations occurs due to the Poisson-equation, resulting in a nonlinear system of differential equations. The time evolution of this system was calculated numerically. On the one hand, simulations were performed where the whole velocity-space was retained. This fully-kinetic model was applied for the spatially one- as well as two-dimensional case. In the one-dimensional case only the radial direction of the plasma-edge was modeled, i.e. the direction along which the plasma joins to the vacuum. When performing the spatially two-dimensional simulations, in addition the poloidal direction has been regarded. A second set of simulations was performed using a gyro-kinetic model. In this model only the velocity-component parallel to the magnetic field vector is retained. The components perpendicular to the magnetic field vector, which are responsible for the gyration of particles, are omitted from phase-space but

Trapping, percolation, and anomalous diffusion of particles in a two-dimensional random field

International Nuclear Information System (INIS)

Avellaneda, M.; Apelian, C.; Elliott, F. Jr.

1993-01-01

The authors analyze the advection of particles in a velocity field with Hamiltonian H(x,y) = bar V 1 y-bar V 2 x + W 1 (y) - W 2 (x), where W i , i=1,2, are random functions with stationary, independent increments. In the absence of molecular diffusion, the particle dynamics are sensitive to the streamline topology, which depends on the mean-to-fluctuations ratio p=max(|bar V 1 |/bar U;|bar V 2 |/bar U), with bar U = [|W' 1 | 2 ] 1/2 = rms fluctuations. The model is exactly solvable for p≥1 and well suited for Monte Carlo simulations for all p. Statistics are considered of streamlines for p=0, deriving power laws for the escape probability and the length of escaping trajectories for a box of size L much-gt 1. Also obtained is a characterization of the statistical topography of the Hamiltonian. The large-scale transport is studied of advected particles with p > 0. For 0 -v/2 [x(t) - (x(t))] and t -v/2 [y(t) - (y(t))]. The large-scale motions are Fickian (v=1) or superdiffusive (v=3/2) with a non-Gaussian coarse-grained probability, according to the direction of the mean velocity relative to the underlying lattice. These results are obtained analytically for p≥1 and extended to the regime 0 1 , bar V 2 ) for which stagnation regions in the flow exist. The results are compared with existing predictions on the topology of streamlines based on percolation theory and with mean-field calculations of effective diffusivities. 29 refs., 15 figs., 7 tabs

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

Science.gov (United States)

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

2010-04-14

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

Dynamics and waves near multiple magnetic null points in reconnection diffusion region

Czech Academy of Sciences Publication Activity Database

Deng, X. H.; Zhou, M.; Li, S. Y.; Baumjohann, W.; Andre, M.; Cornilleau, N.; Santolík, Ondřej; Pontin, D. I.; Reme, H.; Lucek, E.; Fazakerley, A. N.; Decreau, P.; Daly, P.; Nakamura, R.; Tang, R. X.; Hu, Y. H.; Pang, Y.; Büchner, J.; Zhao, H.; Vaivads, A.; Pickett, J. S.; Ng, C. S.; Lin, X.; Fu, S.; Yuan, Z. G.; Su, Z. W.; Wang, J. F.

2009-01-01

Roč. 114, - (2009), A07216/1-A07216/7 ISSN 0148-0227 Institutional research plan: CEZ:AV0Z30420517 Keywords : waves * dynamics * reconnection * diffusion Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 3.082, year: 2009

An Efficient Implicit FEM Scheme for Fractional-in-Space Reaction-Diffusion Equations

KAUST Repository

Burrage, Kevin; Hale, Nicholas; Kay, David

2012-01-01

Fractional differential equations are becoming increasingly used as a modelling tool for processes associated with anomalous diffusion or spatial heterogeneity. However, the presence of a fractional differential operator causes memory (time

Molecular dynamics simulation of nanoscale surface diffusion of heterogeneous adatoms clusters

International Nuclear Information System (INIS)

Imran, Muhammad; Hussain, Fayyaz; Ullah, Hafeez; Ahmad, Ejaz; Rashid, Muhammad; Ismail, Muhammad; Cai, Yongqing; Javid, M Arshad; Ahmad, S A

2016-01-01

Molecular dynamics simulation employing the embedded atom method potential is utilized to investigate nanoscale surface diffusion mechanisms of binary heterogeneous adatoms clusters at 300 K, 500 K, and 700 K. Surface diffusion of heterogeneous adatoms clusters can be vital for the binary island growth on the surface and can be useful for the formation of alloy-based thin film surface through atomic exchange process. The results of the diffusion process show that at 300 K, the diffusion of small adatoms clusters shows hopping, sliding, and shear motion; whereas for large adatoms clusters (hexamer and above), the diffusion is negligible. At 500 K, small adatoms clusters, i.e., dimer, show almost all possible diffusion mechanisms including the atomic exchange process; however no such exchange is observed for adatoms clusters greater than dimer. At 700 K, the exchange mechanism dominates for all types of clusters, where Zr adatoms show maximum tendency and Ag adatoms show minimum or no tendency toward the exchange process. Separation and recombination of one or more adatoms are also observed at 500 K and 700 K. The Ag adatoms also occupy pop-up positions over the adatoms clusters for short intervals. At 700 K, the vacancies are also generated in the vicinity of the adatoms cluster, vacancy formation, filling, and shifting can be observed from the results. (paper)

Self-diffusion dynamic behavior of atomic clusters on Re(0 0 0 1) surface

Energy Technology Data Exchange (ETDEWEB)

Liu Fusheng [Department of Applied Physics, Hunan University, Changsha 410082 (China); Hu Wangyu, E-mail: wangyuhu2001cn@yahoo.com.cn [Department of Applied Physics, Hunan University, Changsha 410082 (China); Deng Huiqiu; Luo Wenhua; Xiao Shifang [Department of Applied Physics, Hunan University, Changsha 410082 (China); Yang Jianyu [Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104 (China)

2009-08-15

Using molecular dynamics simulations and a modified analytic embedded atom potential, the self-diffusion dynamics of rhenium atomic clusters up to seven atoms on Re(0 0 0 1) surface have been studied in the temperature ranges from 600 K to 1900 K. The simulation time varies from 20 ns to 200 ns according to the cluster sizes and the temperature. The heptamer and trimer are more stable comparing to other neighboring non-compact clusters. The diffusion coefficients of clusters are derived from the mean square displacement of cluster's mass-center, and diffusion prefactors D{sub 0} and activation energies E{sub a} are derived from the Arrhenius relation. It is found that the Arrhenius relation of the adatom can be divided into two parts at different temperature range. The activation energy of clusters increases with the increasing of the atom number in clusters. The prefactor of the heptamer is 2-3 orders of magnitude higher than a usual prefactor because of a large number of nonequivalent diffusion processes. The trimer and heptamer are the nuclei at different temperature range according to the nucleation theory.

Characteristics of off-waist incident anomalous vortex beams in highly nonlocal media

Directory of Open Access Journals (Sweden)

Zhen-Feng Yang

Full Text Available In this paper, we focus on the effect of the off-waist incident condition on the propagation characteristics of anomalous vortex beams (AVBs in nonlocal media. An expression is derived mathematically in order to describe the propagation dynamics of AVBs in nonlocal media under the off-waist incident condition. Typical propagation characteristics induced by the off-waist incident condition are illustrated numerically. It is found that the propagation characteristics under the off-waist incident condition are much different from those under the on-waist incident condition. Keywords: Off-waist incidence, Anomalous vortex beam, Nonlocal media

Molecular Dynamic Simulation of Water Vapor and Determination of Diffusion Characteristics in the Pore

Science.gov (United States)

Nikonov, Eduard G.; Pavluš, Miron; Popovičová, Mária

2018-02-01

One of the varieties of pores, often found in natural or artificial building materials, are the so-called blind pores of dead-end or saccate type. Three-dimensional model of such kind of pore has been developed in this work. This model has been used for simulation of water vapor interaction with individual pore by molecular dynamics in combination with the diffusion equation method. Special investigations have been done to find dependencies between thermostats implementations and conservation of thermodynamic and statistical values of water vapor - pore system. The two types of evolution of water - pore system have been investigated: drying and wetting of the pore. Full research of diffusion coefficient, diffusion velocity and other diffusion parameters has been made.

Spatiotemporal mapping of diffusion dynamics and organization in plasma membranes

Science.gov (United States)

Bag, Nirmalya; Ng, Xue Wen; Sankaran, Jagadish; Wohland, Thorsten

2016-09-01

Imaging fluorescence correlation spectroscopy (FCS) and the related FCS diffusion law have been applied in recent years to investigate the diffusion modes of lipids and proteins in membranes. These efforts have provided new insights into the membrane structure below the optical diffraction limit, new information on the existence of lipid domains, and on the influence of the cytoskeleton on membrane dynamics. However, there has been no systematic study to evaluate how domain size, domain density, and the probe partition coefficient affect the resulting imaging FCS diffusion law parameters. Here, we characterize the effects of these factors on the FCS diffusion law through simulations and experiments on lipid bilayers and live cells. By segmenting images into smaller 7  ×  7 pixel areas, we can evaluate the FCS diffusion law on areas smaller than 2 µm and thus provide detailed maps of information on the membrane structure and heterogeneity at this length scale. We support and extend this analysis by deriving a mathematical expression to calculate the mean squared displacement (MSDACF) from the autocorrelation function of imaging FCS, and demonstrate that the MSDACF plots depend on the existence of nanoscopic domains. Based on the results, we derive limits for the detection of domains depending on their size, density, and relative viscosity in comparison to the surroundings. Finally, we apply these measurements to bilayers and live cells using imaging total internal reflection FCS and single plane illumination microscopy FCS.

Molecular dynamics simulation of three plastic additives' diffusion in polyethylene terephthalate.

Science.gov (United States)

Li, Bo; Wang, Zhi-Wei; Lin, Qin-Bao; Hu, Chang-Ying

2017-06-01

Accurate diffusion coefficient data of additives in a polymer are of paramount importance for estimating the migration of the additives over time. This paper shows how this diffusion coefficient can be estimated for three plastic additives [2-(2'-hydroxy-5'-methylphenyl) (UV-P), 2,6-di-tert-butyl-4-methylphenol (BHT) and di-(2-ethylhexyl) phthalate (DEHP)] in polyethylene terephthalate (PET) using the molecular dynamics (MD) simulation method. MD simulations were performed at temperatures of 293-433 K. The diffusion coefficient was calculated through the Einstein relationship connecting the data of mean-square displacement at different times. Comparison of the diffusion coefficients simulated by the MD simulation technique, predicted by the Piringer model and experiments, showed that, except for a few samples, the MD-simulated values were in agreement with the experimental values within one order of magnitude. Furthermore, the diffusion process for additives is discussed in detail, and four factors - the interaction energy between additive molecules and PET, fractional free volume, molecular shape and size, and self-diffusion of the polymer - are proposed to illustrate the microscopic diffusion mechanism. The movement trajectories of additives in PET cell models suggested that the additive molecules oscillate slowly rather than hopping for a long time. Occasionally, when a sufficiently large hole was created adjacently, the molecule could undergo spatial motion by jumping into the free-volume hole and consequently start a continuous oscillation and hop. The results indicate that MD simulation is a useful approach for predicting the microstructure and diffusion coefficient of plastic additives, and help to estimate the migration level of additives from PET packaging.

Molecular dynamics on diffusive time scales from the phase-field-crystal equation.

Science.gov (United States)

Chan, Pak Yuen; Goldenfeld, Nigel; Dantzig, Jon

2009-03-01

We extend the phase-field-crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of them. By solving the dynamical equation of the model, which is a partial differential equation, we are essentially performing molecular dynamics simulations on diffusive time scales. To illustrate this approach, we calculate the two-point correlation function of a fluid.

Aspects of the diffusion of electrons and ions in Tokamak plasma

International Nuclear Information System (INIS)

Negrea, M.; Petrisor, I.; Constantinescu, Dana

2010-01-01

Two distinct problems concerning the anomalous transport in Tokamak plasma were analysed. The first one is related to the diffusion of ions in a stochastic magnetic field with curvature starting from Langevin equations of the guiding centre approximation. We analysed the influence of the drift Kubo number, the magnetic Kubo number and of the anisotropy on the diffusion of ions. The second problem is related to the diffusion of electrons in a combination of an electrostatic stochastic field with an unperturbed sheared magnetic field in slab geometry. The global effects of the parameters on the diffusion tensor components are exhibited.(authors)

Theory of spin-lattice relaxation of diffusing light nuclei in glasses

International Nuclear Information System (INIS)

Schirmer, A.; Schirmacher, W.

1988-01-01

NMR data of diffusion-induced spin-lattice relaxation in glasses cannot generally be interpreted in the framework of the classical theory of Bloembergen, Purcell and Pound (BPP). Since it is based on exponential density relaxation, generally bnot found in glasses, the BPP formula must be generalized. Here a combination of standard relaxation theory with a hopping model for diffusion in glasses is present. It is shown that the observed anomaties in the NMR data can be explained as a result of anomalous diffusion. 25 refs.; 1 figure

Continuous Time Random Walk and different diffusive regimes - doi: 10.4025/actascitechnol.v34i2.11521

Directory of Open Access Journals (Sweden)

Haroldo Valetin Ribeiro

2012-03-01

Full Text Available We investigate how it is possible to obtain different diffusive regimes from the Continuous Time Random Walk (CTRW approach performing suitable changes for the waiting time and jumping distributions in order to get two or more regimes for the same diffusive process. We also obtain diffusion-like equations related to these processes and investigate the connection of the results with anomalous diffusion. 

Dynamics diffusion behaviors of Pd small clusters on a Pd(1 1 1) surface

International Nuclear Information System (INIS)

Liu, Fusheng; Hu, Wangyu; Deng, Huiqiu; He, Rensheng; Yang, Xiyuan; Lu, Kuilin; Deng, Lei; Luo, Wenhua

2010-01-01

Using molecular dynamics, nudged elastic band and modified analytic embedded atom methods, the self-diffusion dynamics properties of palladium atomic clusters up to seven atoms on the Pd (1 1 1) surface have been studied at temperatures ranging from 300 to 1000 K. The simulation time varies from 20 to 75 ns according to the cluster sizes and the temperature ranges. The heptamer and trimer are more stable than the other neighboring clusters. The diffusion coefficients of the clusters are derived from the mean square displacement of the cluster's mass-center, and the diffusion prefactors D 0 and activation energies E a are derived from the Arrhenius relation. The activation energy of the clusters increases with the increasing atom number in the clusters, especially for Pd 6 to Pd 7 . The analysis of trajectories shows the noncompact clusters diffuse by the local diffusion mechanism but the compact clusters diffuse mainly by the whole gliding mechanism, and some static energy barriers of the diffusion modes are calculated. From Pd 2 to Pd 6 , the prefactors are in the range of the standard value 10 −3  cm 2  s −1 , and the prefactor of Pd 7 cluster is 2 orders of magnitude greater than that of the single Pd adatom because of a large number of nonequivalent diffusion processes. The heptamer can be the nucleus in the room temperature range according to nucleation theory

Anomalous sea surface structures as an object of statistical topography

Science.gov (United States)

Klyatskin, V. I.; Koshel, K. V.

2015-06-01

By exploiting ideas of statistical topography, we analyze the stochastic boundary problem of emergence of anomalous high structures on the sea surface. The kinematic boundary condition on the sea surface is assumed to be a closed stochastic quasilinear equation. Applying the stochastic Liouville equation, and presuming the stochastic nature of a given hydrodynamic velocity field within the diffusion approximation, we derive an equation for a spatially single-point, simultaneous joint probability density of the surface elevation field and its gradient. An important feature of the model is that it accounts for stochastic bottom irregularities as one, but not a single, perturbation. Hence, we address the assumption of the infinitely deep ocean to obtain statistic features of the surface elevation field and the squared elevation gradient field. According to the calculations, we show that clustering in the absolute surface elevation gradient field happens with the unit probability. It results in the emergence of rare events such as anomalous high structures and deep gaps on the sea surface almost in every realization of a stochastic velocity field.

Identifying mechanisms for superdiffusive dynamics in cell trajectories

Science.gov (United States)

Passucci, Giuseppe; Brasch, Megan; Henderson, James; Manning, M. Lisa

Self-propelled particle (SPP) models have been used to explore features of active matter such as motility-induced phase separation, jamming, and flocking, and are often used to model biological cells. However, many cells exhibit super-diffusive trajectories, where displacements scale faster than t 1 / 2 in all directions, and these are not captured by traditional SPP models. We extract cell trajectories from image stacks of mouse fibroblast cells moving on 2D substrates and find super-diffusive mean-squared displacements in all directions across varying densities. Two SPP model modifications have been proposed to capture super-diffusive dynamics: Levy walks and heterogeneous motility parameters. In mouse fibroblast cells displacement probability distributions collapse when time is rescaled by a power greater than 1/2, which is consistent with Levy walks. We show that a simple SPP model with heterogeneous rotational noise can also generate a similar collapse. Furthermore, a close examination of statistics extracted directly from cell trajectories is consistent with a heterogeneous mobility SPP model and inconsistent with a Levy walk model. Our work demonstrates that a simple set of analyses can distinguish between mechanisms for anomalous diffusion in active matter.

Diffusion-weighted imaging and dynamic contrast-enhanced MRI of experimental breast cancer bone metastases – A correlation study with histology

Energy Technology Data Exchange (ETDEWEB)

Merz, Maximilian [Department of Medical Physics in Radiology, German Cancer Research Center, Im Neuenheimer Feld 280, 69120 Heidelberg (Germany); Department of Hematology, Oncology and Rheumatology, Heidelberg University Hospital, Im Neuenheimer Feld 410, 69120 Heidelberg (Germany); Seyler, Lisa; Bretschi, Maren; Semmler, Wolfhard [Department of Medical Physics in Radiology, German Cancer Research Center, Im Neuenheimer Feld 280, 69120 Heidelberg (Germany); Bäuerle, Tobias, E-mail: tobias.baeuerle@uk-erlangen.de [Department of Medical Physics in Radiology, German Cancer Research Center, Im Neuenheimer Feld 280, 69120 Heidelberg (Germany); Institute of Radiology, University Medical Center Erlangen, Palmsanlage 5, 90154 Erlangen (Germany)

2015-04-15

Purpose: To validate imaging parameters from diffusion-weighted imaging and dynamic contrast-enhanced MRI with immunohistology and to non-invasively assess microstructure of experimental breast cancer bone metastases. Materials and methods: Animals bearing breast cancer bone metastases were imaged in a clinical 1.5 T MRI scanner. HASTE sequences were performed to calculate apparent diffusion coefficients. Saturation recovery turbo FLASH sequences were conducted while infusing 0.1 mmol/l Gd–DTPA for dynamic contrast-enhanced MRI to quantify parameters amplitude A and exchange rate constant k{sub ep}. After imaging, bone metastases were analyzed immunohistologically. Results: We found correlations of the apparent diffusion coefficients from diffusion-weighted imaging with tumor cellularity as assessed with cell nuclei staining. Histological vessel maturity was correlated negatively with parameters A and k{sub ep} from dynamic contrast-enhanced MRI. Tumor size correlated inversely with cell density and vessel permeability as well as positively with mean vessel calibers. Parameters from the rim of bone metastases differed significantly from values of the center. Conclusion: In vivo diffusion-weighted imaging and dynamic contrast-enhanced MRI in experimental bone metastases provide information about tumor cellularity and vascularity and correlate well with immunohistology.

Molecular dynamics study of water molecule diffusion in oil-paper insulation materials

International Nuclear Information System (INIS)

Liao Ruijin; Zhu Mengzhao; Yang Lijun; Zhou Xin; Gong Chunyan

2011-01-01

Moisture is an important factor that influences the safe operation of transformers. In this study, molecular dynamics was employed to investigate the diffusion behavior of water molecules in the oil-paper insulation materials of transformers. Two oil-cellulose models were built. In the first model, water molecules were initially distributed in oil, and in the second model, water molecules were distributed in cellulose. The non-bonding energies of interaction between water molecules and oil, and between water molecules and cellulose, were calculated by the Dreiding force field. The interaction energy was found to play a dominant role in influencing the equilibrium distribution of water molecules. The radial direction functions of water molecules toward oil and cellulose indicate that the hydrogen bonds between water molecules and cellulose are sufficiently strong to withstand the operating temperature of the transformer. Mean-square displacement analysis of water molecules diffusion suggests that water molecules initially distributed in oil showed anisotropic diffusion; they tended to diffuse toward cellulose. Water molecules initially distributed in cellulose diffused isotropically. This study provides a theoretical contribution for improvements in online monitoring of water in transformers, and for subsequent research on new insulation materials.

Molecular dynamics study of water molecule diffusion in oil-paper insulation materials

Energy Technology Data Exchange (ETDEWEB)

Liao Ruijin [State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Chongqing 400044 (China); Zhu Mengzhao, E-mail: xiaozhupost@163.co [State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Chongqing 400044 (China); Yang Lijun; Zhou Xin; Gong Chunyan [State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Chongqing 400044 (China)

2011-03-01

Moisture is an important factor that influences the safe operation of transformers. In this study, molecular dynamics was employed to investigate the diffusion behavior of water molecules in the oil-paper insulation materials of transformers. Two oil-cellulose models were built. In the first model, water molecules were initially distributed in oil, and in the second model, water molecules were distributed in cellulose. The non-bonding energies of interaction between water molecules and oil, and between water molecules and cellulose, were calculated by the Dreiding force field. The interaction energy was found to play a dominant role in influencing the equilibrium distribution of water molecules. The radial direction functions of water molecules toward oil and cellulose indicate that the hydrogen bonds between water molecules and cellulose are sufficiently strong to withstand the operating temperature of the transformer. Mean-square displacement analysis of water molecules diffusion suggests that water molecules initially distributed in oil showed anisotropic diffusion; they tended to diffuse toward cellulose. Water molecules initially distributed in cellulose diffused isotropically. This study provides a theoretical contribution for improvements in online monitoring of water in transformers, and for subsequent research on new insulation materials.

Some applications of nonlinear diffusion to processing of dynamic evolution images

International Nuclear Information System (INIS)

Goltsov, Alexey N.; Nikishov, Sergey A.

1997-01-01

Model nonlinear diffusion equation with the most simple Landau-Ginzburg free energy functional was applied to locate boundaries between meaningful regions of low-level images. The method is oriented to processing images of objects that are a result of dynamic evolution: images of different organs and tissues obtained by radiography and NMR methods, electron microscope images of morphogenesis fields, etc. In the methods developed by us, parameters of the nonlinear diffusion model are chosen on the basis of the preliminary treatment of the images. The parameters of the Landau-Ginzburg free energy functional are extracted from the structure factor of the images. Owing to such a choice of the model parameters, the image to be processed is located in the vicinity of the steady-state of the diffusion equation. The suggested method allows one to separate distinct structures having specific space characteristics from the whole image. The method was applied to processing X-ray images of the lung

Simple Analytical Forms of the Perpendicular Diffusion Coefficient for Two-component Turbulence. III. Damping Model of Dynamical Turbulence

Energy Technology Data Exchange (ETDEWEB)

Gammon, M.; Shalchi, A., E-mail: andreasm4@yahoo.com [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)

2017-10-01

In several astrophysical applications one needs analytical forms of cosmic-ray diffusion parameters. Some examples are studies of diffusive shock acceleration and solar modulation. In the current article we explore perpendicular diffusion based on the unified nonlinear transport theory. While we focused on magnetostatic turbulence in Paper I, we included the effect of dynamical turbulence in Paper II of the series. In the latter paper we assumed that the temporal correlation time does not depend on the wavenumber. More realistic models have been proposed in the past, such as the so-called damping model of dynamical turbulence. In the present paper we derive analytical forms for the perpendicular diffusion coefficient of energetic particles in two-component turbulence for this type of time-dependent turbulence. We present new formulas for the perpendicular diffusion coefficient and we derive a condition for which the magnetostatic result is recovered.

Chiral anomaly and anomalous finite-size conductivity in graphene

Science.gov (United States)

Shen, Shun-Qing; Li, Chang-An; Niu, Qian

2017-09-01

Graphene is a monolayer of carbon atoms packed into a hexagon lattice to host two spin degenerate pairs of massless two-dimensional Dirac fermions with different chirality. It is known that the existence of non-zero electric polarization in reduced momentum space which is associated with a hidden chiral symmetry will lead to the zero-energy flat band of a zigzag nanoribbon and some anomalous transport properties. Here it is proposed that the Adler-Bell-Jackiw chiral anomaly or non-conservation of chiral charges of Dirac fermions at different valleys can be realized in a confined ribbon of finite width, even in the absence of a magnetic field. In the laterally diffusive regime, the finite-size correction to conductivity is always positive and is inversely proportional to the square of the lateral dimension W, which is different from the finite-size correction inversely proportional to W from the boundary modes. This anomalous finite-size conductivity reveals the signature of the chiral anomaly in graphene, and it is measurable experimentally. This finding provides an alternative platform to explore the purely quantum mechanical effect in graphene.

A molecular dynamics investigation of the unusual concentration dependencies of Fick diffusivities in silica mesopores

NARCIS (Netherlands)

Krishna, R.; van Baten, J.M.

2011-01-01

Molecular Dynamics (MD) simulations were carried out to determine the self-diffusivitiy, Di,self, the Maxwell-Stefan diffusivity, Ði, and the Fick diffusivity, Di, for methane (C1), ethane (C2), propane (C3), n-butane (nC4), n-pentane (nC5), n-hexane (nC6), n-heptane (nC7), and cyclohexane (cC6) in

Resolving the anomalous infrared spectrum of the MeCN-HCl molecular cluster using ab Initio molecular dynamics

DEFF Research Database (Denmark)

Bork, Nicolai Christian; Loukonen, Ville; Kjærgaard, Henrik Grum

2014-01-01

We present a molecular dynamics (MD) based study of the acetonitrile-hydrogen chloride molecular cluster in the gas phase, aimed at resolving the anomalous features often seen in infrared spectra of hydrogen bonded complexes. We find that the infrared spectrum obtained from the Fourier transform...... of the electric dipole moment autocorrelation function converges very slowly due to the floppy nature of the complex. Even after 55 picoseconds of simulation, significant differences in the modelled and experimental spectrum are seen, likely due to insufficient configurational sampling. Instead, we utilize the MD...... trajectory for a structural based analysis. We find that the most populated values of the N-H-Cl angle are around 162°. The global minimum energy conformation at 180.0° is essentially unpopulated. We re-model the spectrum by combining population data from the MD simulations with optimizations constraining...

Physics basis of Multi-Mode anomalous transport module

Energy Technology Data Exchange (ETDEWEB)

Rafiq, T.; Kritz, A. H.; Luo, L. [Department of Physics, Lehigh University, Bethlehem, Pennsylvania 18015 (United States); Weiland, J. [Departments of Applied Physics, Chalmers University of Technology and Euratom-VR Assoc., S41296 Gothenburg (Sweden); Pankin, A. Y. [Tech-X Corporation, Boulder, Colorado (United States)

2013-03-15

The derivation of Multi-Mode anomalous transport module version 8.1 (MMM8.1) is presented. The MMM8.1 module is advanced, relative to MMM7.1, by the inclusion of peeling modes, dependence of turbulence correlation length on flow shear, electromagnetic effects in the toroidal momentum diffusivity, and the option to compute poloidal momentum diffusivity. The MMM8.1 model includes a model for ion temperature gradient, trapped electron, kinetic ballooning, peeling, collisionless and collision dominated magnetohydrodynamics modes as well as model for electron temperature gradient modes, and a model for drift resistive inertial ballooning modes. In the derivation of the MMM8.1 module, effects of collisions, fast ion and impurity dilution, non-circular flux surfaces, finite beta, and Shafranov shift are included. The MMM8.1 is used to compute thermal, particle, toroidal, and poloidal angular momentum transports. The fluid approach which underlies the derivation of MMM8.1 is expected to reliably predict, on an energy transport time scale, the evolution of temperature, density, and momentum profiles in plasma discharges for a wide range of plasma conditions.

Description of Anomalous Noise Events for Reliable Dynamic Traffic Noise Mapping in Real-Life Urban and Suburban Soundscapes

Directory of Open Access Journals (Sweden)

Francesc Alías

2017-02-01

Full Text Available Traffic noise is one of the main pollutants in urban and suburban areas. European authorities have driven several initiatives to study, prevent and reduce the effects of exposure of population to traffic. Recent technological advances have allowed the dynamic computation of noise levels by means of Wireless Acoustic Sensor Networks (WASN such as that developed within the European LIFE DYNAMAP project. Those WASN should be capable of detecting and discarding non-desired sound sources from road traffic noise, denoted as anomalous noise events (ANE, in order to generate reliable noise level maps. Due to the local, occasional and diverse nature of ANE, some works have opted to artificially build ANE databases at the cost of misrepresentation. This work presents the production and analysis of a real-life environmental audio database in two urban and suburban areas specifically conceived for anomalous noise events’ collection. A total of 9 h 8 min of labelled audio data is obtained differentiating among road traffic noise, background city noise and ANE. After delimiting their boundaries manually, the acoustic salience of the ANE samples is automatically computed as a contextual signal-to-noise ratio (SNR. The analysis of the real-life environmental database shows high diversity of ANEs in terms of occurrences, durations and SNRs, as well as confirming both the expected differences between the urban and suburban soundscapes in terms of occurrences and SNRs, and the rare nature of ANE.

Effects of soft interactions and bound mobility on diffusion in crowded environments: a model of sticky and slippery obstacles

Science.gov (United States)

Stefferson, Michael W.; Norris, Samantha L.; Vernerey, Franck J.; Betterton, Meredith D.; E Hough, Loren

2017-08-01

Crowded environments modify the diffusion of macromolecules, generally slowing their movement and inducing transient anomalous subdiffusion. The presence of obstacles also modifies the kinetics and equilibrium behavior of tracers. While previous theoretical studies of particle diffusion have typically assumed either impenetrable obstacles or binding interactions that immobilize the particle, in many cellular contexts bound particles remain mobile. Examples include membrane proteins or lipids with some entry and diffusion within lipid domains and proteins that can enter into membraneless organelles or compartments such as the nucleolus. Using a lattice model, we studied the diffusive movement of tracer particles which bind to soft obstacles, allowing tracers and obstacles to occupy the same lattice site. For sticky obstacles, bound tracer particles are immobile, while for slippery obstacles, bound tracers can hop without penalty to adjacent obstacles. In both models, binding significantly alters tracer motion. The type and degree of motion while bound is a key determinant of the tracer mobility: slippery obstacles can allow nearly unhindered diffusion, even at high obstacle filling fraction. To mimic compartmentalization in a cell, we examined how obstacle size and a range of bound diffusion coefficients affect tracer dynamics. The behavior of the model is similar in two and three spatial dimensions. Our work has implications for protein movement and interactions within cells.

Microscopic theory for dynamics in entangled polymer nanocomposites

Science.gov (United States)

Yamamoto, Umi

New microscopic theories for describing dynamics in polymer nanocomposites are developed and applied. The problem is addressed from two distinct perspectives and using two different theoretical approaches. The first half of this dissertation studies the long-time and intermediate-time dynamics of nanoparticles in entangled and unentangled polymer melts for dilute particle concentrations. Using a combination of mode-coupling, Brownian motion, and polymer physics ideas, the nanoparticle long-time diffusion coefficients is formulated in terms of multiple length-scales, packing microstructures, and spatially-resolved polymer density fluctuation dynamics. The key motional mechanism is described via the parallel relaxation of the force exerted on the particle controlled by collective polymer constraint-release and the particle self-motion. A sharp but smooth crossover from the hydrodynamic to the non-hydrodynamic regime is predicted based on the Stokes-Einstein violation ratio as a function of all the system variables. Quantitative predictions are made for the recovery of the Stokes-Einstein law, and the diffusivity in the crossover regime agrees surprisingly well with large-scale molecular dynamics simulations for all particle sizes and chain lengths studied. The approach is also extended to address intermediate-time anomalous transport of a single nanoparticle and two-particle relative diffusion. The second half of this dissertation focuses on developing a novel dynamical theory for a liquid of infinitely-thin rods in the presence of hard spherical obstacles, aiming at a technical and conceptual extension of the existing paradigm for entangled polymer dynamics. As a fundamental theoretical development, the two-component generalization of a first-principles dynamic meanfield approach is presented. The theory enforces inter-needle topological uncrossability and needlesphere impenetrability in a unified manner, leading to a generalized theory of entanglements that

Anomalous mass transport in Au/304 stainless steel powder under shock loading

Energy Technology Data Exchange (ETDEWEB)

Staudhammer, Karl P.

2004-01-01

Dynamic deformation experiments on gold plated 304L stainless steel powders were undertaken using a axial symmetrical implosion geometry. These experiments utilized pressures of 0.08 to 1.0 Mbar and contained a symmetric radial melt region along the central axis of the sample holder. To understand the role of deformation in a porous material, the pressure, and temperature as well as the deformation heat and associated defects must be accounted for. Using a strain controllable shock loading design it was possible to separate and control independently strain and pressure. Thus enabling the ability to control the added heat from the deformation process undergoing compaction/consolidation of the powder. When the added heat of consolidation deformation exceeds the melt temperature of the 304 powders, a melt zone results that can consume large regions of the compact. It is within these regions that very high diffusion of gold into the powder occurs. These anomalous increases have been observed via optical microscopy, scanning electron microscopy and EDAX measurements. Values exceeding 1200 m/sec have been measured and correlated to the powder sizes, size distribution and packing density, concomitant with sample container strains ranging from 2.0% to 26%.

Top quark soliton and its anomalous chromomagnetic moment

International Nuclear Information System (INIS)

Berger, J.; Blotz, A.; Kim, H.; Goeke, K.

1996-01-01

We show that under the assumption of dynamical symmetry breaking of electroweak interactions by a top quark condensate, motivated by the top mode standard model, the top quark in this effective theory can be considered then as a chiral color soliton. This is realized in an effective four-fermion interaction with chiral SU(3) c as well as SU(2) L circle-times U Y (1) symmetry. In the pure top quark sector the soliton consists of a top valence quark and a Dirac sea of top quarks and top antiquarks coupled to a color octet of Goldstone pions. The mass spectra, isoscalar quadratic radii, and the anomalous chromomagnetic moment because of a nontrivial color form factor are calculated with zero and finite current top quark masses and effects at the hadron colliders are discussed. The anomalous chromomagnetic moment turns out to have a value consistent with the top quark production rates of the D0 and CDF measurements. copyright 1996 The American Physical Society

Molecular dynamics investigation of tracer diffusion in a simple liquid

International Nuclear Information System (INIS)

Ould-Kaddour, F.; Barrat, J.L.

1991-05-01

Extensive Molecular-Dynamics (MD) simulations have been carried out for a model trace-solvent system made up of 100 solvent molecules and 8 tracer molecules interacting through truncated Lennard-Jones potentials. The influence of the size ratio between solute and solvent, of their mass ratio and of the solvent viscosity on the diffusivity of a small tracer were investigated. Positive deviations from a Stokes-Einstein behaviour are observed, in qualitative agreement with experimental observations. It was also observed that as tracer and solvent become increasingly dissimilar, their respective dynamics becomes decoupled. We suggest that such decouplings can be interpreted by writing their mobility of the tracer as the sum of two terms, the first one arising from a coupling between tracer dynamics and hydrodynamics modes of the solvent, and the second one describing jump motion in a locally nearly frozen environment. (author). 17 refs, 4 figs, 6 tabs

PREFACE: Complex dynamics of fluids in disordered and crowded environments Complex dynamics of fluids in disordered and crowded environments

Science.gov (United States)

Coslovich, Daniele; Kahl, Gerhard; Krakoviack, Vincent

2011-06-01

. In fact, theory and simulations were recently able to predict new and surprising dynamical features, such as the occurrence of sub-diffusive laws, which result from the trapping due to the geometric and topological constraints and/or quenched disorder, the presence of both continuous and discontinuous glass transitions, and diffusion-localization transitions. Together, theory and simulations are thus able to contribute to a deeper insight into the complex dynamical behaviour of fluids in disordered confinement. Still, many yet unsolved problems remain. The fact that theoretical and simulation approaches have caught up with experimental investigations, has motivated us to organize a workshop on the dynamics of fluids confined in disordered environments, so as to bring together the different communities working in this field: theory and simulations, with their recent developments based on the mode-coupling theory of the glass transition, and experiments, with particular emphasis on colloidal systems and novel techniques. In an effort to give credit to recent developments in related problems of biophysical relevance, an entire session of the programme was dedicated to anomalous diffusion in crowded environments. The workshop was thus aimed at providing a deeper understanding of the complex dynamics of fluids in confinement as well as up-to-date perspectives on the interdisciplinary applications of this field of research. We are proud to say that all 32 contacted speakers accepted our invitation. Additional participants were attracted by our scientific programme, contributing poster presentations to the workshop. In total, close to 50 participants were registered, arriving from 11 different countries (including the US, Japan, and Mexico). Thus we conclude that the workshop indeed addressed a highly topical scientific field. From the scientific point of view a broad range of problems was covered, ranging from biophysics over soft matter to fermion systems. From the vivid

Scale-invariant Green-Kubo relation for time-averaged diffusivity

Science.gov (United States)

Meyer, Philipp; Barkai, Eli; Kantz, Holger

2017-12-01

In recent years it was shown both theoretically and experimentally that in certain systems exhibiting anomalous diffusion the time- and ensemble-averaged mean-squared displacement are remarkably different. The ensemble-averaged diffusivity is obtained from a scaling Green-Kubo relation, which connects the scale-invariant nonstationary velocity correlation function with the transport coefficient. Here we obtain the relation between time-averaged diffusivity, usually recorded in single-particle tracking experiments, and the underlying scale-invariant velocity correlation function. The time-averaged mean-squared displacement is given by 〈δ2¯〉 ˜2 DνtβΔν -β , where t is the total measurement time and Δ is the lag time. Here ν is the anomalous diffusion exponent obtained from ensemble-averaged measurements 〈x2〉 ˜tν , while β ≥-1 marks the growth or decline of the kinetic energy 〈v2〉 ˜tβ . Thus, we establish a connection between exponents that can be read off the asymptotic properties of the velocity correlation function and similarly for the transport constant Dν. We demonstrate our results with nonstationary scale-invariant stochastic and deterministic models, thereby highlighting that systems with equivalent behavior in the ensemble average can differ strongly in their time average. If the averaged kinetic energy is finite, β =0 , the time scaling of 〈δ2¯〉 and 〈x2〉 are identical; however, the time-averaged transport coefficient Dν is not identical to the corresponding ensemble-averaged diffusion constant.

Anomalous Higgs couplings at an eγ collider

International Nuclear Information System (INIS)

Choudhury, Debajyoti; Mamta

2006-01-01

We examine the sensitivity of eγ colliders (based on e + e - linear colliders of c.m. energy 500 GeV) to the anomalous couplings of the Higgs to W-boson via the process e - γ→νWH. This has the advantage over e + e - collider in being able to dissociate WWH vertex from ZZH. We are able to construct several dynamical variables which may be used to constrain the various couplings in the WWH vertex

Features of statistical dynamics in a finite system

International Nuclear Information System (INIS)

Yan, Shiwei; Sakata, Fumihiko; Zhuo Yizhong

2002-01-01

We study features of statistical dynamics in a finite Hamilton system composed of a relevant one degree of freedom coupled to an irrelevant multidegree of freedom system through a weak interaction. Special attention is paid on how the statistical dynamics changes depending on the number of degrees of freedom in the irrelevant system. It is found that the macrolevel statistical aspects are strongly related to an appearance of the microlevel chaotic motion, and a dissipation of the relevant motion is realized passing through three distinct stages: dephasing, statistical relaxation, and equilibrium regimes. It is clarified that the dynamical description and the conventional transport approach provide us with almost the same macrolevel and microlevel mechanisms only for the system with a very large number of irrelevant degrees of freedom. It is also shown that the statistical relaxation in the finite system is an anomalous diffusion and the fluctuation effects have a finite correlation time

Anomalous U(1) as a mediator of Supersymmetry Breaking

CERN Document Server

Dvali, Gia; Dvali, Gia; Pomarol, Alex

1996-01-01

We point out that an anomalous gauge U(1) symmetry is a natural candida= te for being the mediator and messenger of supersymmetry breaking. It facilitate= s dynamical supersymmetry breaking even in the flat limit. Soft masses are induced by both gravity and the U(1) gauge interactions giving an unusual= mass hierarchy in the sparticle spectrum which suppresses flavor violations. T= his scenario does not suffer from the Polonyi problem.

Fluorescence correlation spectroscopy diffusion laws in the presence of moving nanodomains

Czech Academy of Sciences Publication Activity Database

Šachl, Radek; Bergstrand, J.; Widengren, J.; Hof, Martin

2016-01-01

Roč. 49, č. 11 (2016), 114002 ISSN 0022-3727 R&D Projects: GA ČR(CZ) GC14-03141J Institutional support: RVO:61388955 Keywords : FCS * lipid nanodomains * anomalous diffusion Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.588, year: 2016

Turbulent flux and the diffusion of passive tracers in electrostatic turbulence

DEFF Research Database (Denmark)

Basu, R.; Jessen, T.; Naulin, V.

2003-01-01

The connection between the diffusion of passive tracer particles and the anomalous turbulent flux in electrostatic drift-wave turbulence is investigated by direct numerical solutions of the 2D Hasegawa-Wakatani equations. The probability density functions for the point-wise and flux surface...

Anomalous top magnetic couplings

Indian Academy of Sciences (India)

2012-11-09

Nov 9, 2012 ... Corresponding author. E-mail: remartinezm@unal.edu.co. Abstract. The real and imaginary parts of the one-loop electroweak contributions to the left and right tensorial anomalous couplings of the tbW vertex in the Standard Model (SM) are computed. Keywords. Top; anomalous. PACS Nos 14.65.Ha; 12.15 ...

Anomalous vacuum expectation values

International Nuclear Information System (INIS)

Suzuki, H.

1986-01-01

The anomalous vacuum expectation value is defined as the expectation value of a quantity that vanishes by means of the field equations. Although this value is expected to vanish in quantum systems, regularization in general produces a finite value of this quantity. Calculation of this anomalous vacuum expectation value can be carried out in the general framework of field theory. The result is derived by subtraction of divergences and by zeta-function regularization. Various anomalies are included in these anomalous vacuum expectation values. This method is useful for deriving not only the conformal, chiral, and gravitational anomalies but also the supercurrent anomaly. The supercurrent anomaly is obtained in the case of N = 1 supersymmetric Yang-Mills theory in four, six, and ten dimensions. The original form of the energy-momentum tensor and the supercurrent have anomalies in their conservation laws. But the modification of these quantities to be equivalent to the original one on-shell causes no anomaly in their conservation laws and gives rise to anomalous traces

Osmotic generation of 'anomalous' fluid pressures in geological environments

Science.gov (United States)

Neuzii, C.E.

2000-01-01

Osmotic pressures are generated by differences in chemical potential of a solution across a membrane. But whether osmosis can have a significant effect on the pressure of fluids in geological environments has been controversial, because the membrane properties of geological media are poorly understood. 'Anomalous' pressures - large departures from hydrostatic pressure that are not explicable in terms of topographic or fluid-density effects are widely found in geological settings, and are commonly considered to result from processes that alter the pore or fluid volume, which in turn implies crustal changes happening at a rate too slow to observe directly. Yet if osmosis can explain some anomalies, there is no need to invoke such dynamic geological processes in those cases. Here I report results of a nine- year in situ measurement of fluid pressures and solute concentrations in shale that are consistent with the generation of large (up to 20 MPa) osmotic-pressure anomalies which could persist for tens of millions of years. Osmotic pressures of this magnitude and duration can explain many of the pressure anomalies observed in geological settings. The require, however, small shale porosity and large contrasts in the amount of dissolved solids in the pore waters - criteria that may help to distinguish between osmotic and crystal-dynamic origins of anomalous pressures.

Molecular dynamics simulation of helium and oxygen diffusion in UO2±x

International Nuclear Information System (INIS)

Govers, K.; Lemehov, S.; Hou, M.; Verwerft, M.

2009-01-01

Atomic scale simulation techniques based on empirical potentials have been considered in the present work to get insight on helium diffusion in uranium dioxide. By varying the stoichiometry, together with the system temperature, the performed molecular dynamics simulations indicate two diffusion regimes for He. The first one presents a low activation energy (0.5 eV) and suggests oxygen vacancies assisted migration. This regime seems to provide the major contribution to diffusion when structural defects are present (extrinsic defects, imposed, e.g. by the stoichiometry). The second regime presents a higher activation energy, around 2 eV, and dominates in the higher temperature range or at perfect stoichiometry, suggesting an intrinsic migration process. Considering the dependence of He behaviour with oxygen defects, oxygen diffusion has been considered as well in the different stoichiometry domains. Finally, further investigations were made with nudged elastic bands calculations for a better interpretation of the operating migration mechanisms, both for He and O.

Subcontract Report: Diffusion Mechanisms and Bond Dynamics in Solid Electrolyte Ion-Conductors

Energy Technology Data Exchange (ETDEWEB)

Zevgolis, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hall, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Alvez, T. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Mehmedovic, Z. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Shea, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Varley, J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Wood, B. C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Adelstein, N. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-10-03

We employ first-principles molecular dynamics simulations and Maximally Localized Wannier Function (MLWF) analysis to explore how halide substitution and nano-phase microstructures affect diffusivity, through the activation energy barrier - E_a and D₀, in the solid electrolyte Li₃InBr_6-xCl_x. We find that nano-phase microstructures with x=3 (50-50 Br-Cl) mixed composition have a higher diffusivity compared to x=2 and x=3 solid solutions. There is a positive linear relationship between ln(D₀.) and E_a, which suggests that for superionic conductivity optimizing both the activation energy and the D₀ is important. Bond frustration due to mismatch in crystal geometry and ideal coordination number leads to especially high diffusivity through a high D₀ in the x=3 composition.

Computing the blood brain barrier (BBB) diffusion coefficient: A molecular dynamics approach

Energy Technology Data Exchange (ETDEWEB)

Shamloo, Amir, E-mail: shamloo@sharif.edu; Pedram, Maysam Z.; Heidari, Hossein; Alasty, Aria, E-mail: aalasti@sharif.edu

2016-07-15

Various physical and biological aspects of the Blood Brain Barrier (BBB) structure still remain unfolded. Therefore, among the several mechanisms of drug delivery, only a few have succeeded in breaching this barrier, one of which is the use of Magnetic Nanoparticles (MNPs). However, a quantitative characterization of the BBB permeability is desirable to find an optimal magnetic force-field. In the present study, a molecular model of the BBB is introduced that precisely represents the interactions between MNPs and the membranes of Endothelial Cells (ECs) that form the BBB. Steered Molecular Dynamics (SMD) simulations of the BBB crossing phenomenon have been carried out. Mathematical modeling of the BBB as an input-output system has been considered from a system dynamics modeling viewpoint, enabling us to analyze the BBB behavior based on a robust model. From this model, the force profile required to overcome the barrier has been extracted for a single NP from the SMD simulations at a range of velocities. Using this data a transfer function model has been obtained and the diffusion coefficient is evaluated. This study is a novel approach to bridge the gap between nanoscale models and microscale models of the BBB. The characteristic diffusion coefficient has the nano-scale molecular effects inherent, furthermore reducing the computational costs of a nano-scale simulation model and enabling much more complex studies to be conducted. - Highlights: • Molecular dynamics simulation of crossing nano-particles through the BBB membrane at different velocities. • Recording the position of nano-particle and the membrane-NP interaction force profile. • Identification of a frequency domain model for the membrane. • Calculating the diffusion coefficient based on MD simulation and identified model. • Obtaining a relation between continuum medium and discrete medium.

Scaling relation of the anomalous Hall effect in (Ga,Mn)As

Science.gov (United States)

Glunk, M.; Daeubler, J.; Schoch, W.; Sauer, R.; Limmer, W.

2009-09-01

We present magnetotransport studies performed on an extended set of (Ga,Mn)As samples at 4.2 K with longitudinal conductivities σxx ranging from the low-conductivity to the high-conductivity regime. The anomalous Hall conductivity σxy(AH) is extracted from the measured longitudinal and Hall resistivities. A transition from σxy(AH)=20Ω-1cm-1 due to the Berry phase effect in the high-conductivity regime to a scaling relation σxy(AH)∝σxx1.6 for low-conductivity samples is observed. This scaling relation is consistent with a recently developed unified theory of the anomalous Hall effect in the framework of the Keldysh formalism. It turns out to be independent of crystallographic orientation, growth conditions, Mn concentration, and strain, and can therefore be considered universal for low-conductivity (Ga,Mn)As. The relation plays a crucial role when deriving values of the hole concentration from magnetotransport measurements in low-conductivity (Ga,Mn)As. In addition, the hole diffusion constants for the high-conductivity samples are determined from the measured longitudinal conductivities.

Lévy flight with absorption: A model for diffusing diffusivity with long tails

Science.gov (United States)

Jain, Rohit; Sebastian, K. L.

2017-03-01

We consider diffusion of a particle in rearranging environment, so that the diffusivity of the particle is a stochastic function of time. In our previous model of "diffusing diffusivity" [Jain and Sebastian, J. Phys. Chem. B 120, 3988 (2016), 10.1021/acs.jpcb.6b01527], it was shown that the mean square displacement of particle remains Fickian, i.e., ∝T at all times, but the probability distribution of particle displacement is not Gaussian at all times. It is exponential at short times and crosses over to become Gaussian only in a large time limit in the case where the distribution of D in that model has a steady state limit which is exponential, i.e., πe(D ) ˜e-D /D0 . In the present study, we model the diffusivity of a particle as a Lévy flight process so that D has a power-law tailed distribution, viz., πe(D ) ˜D-1 -α with 0 <α <1 . We find that in the short time limit, the width of displacement distribution is proportional to √{T }, implying that the diffusion is Fickian. But for long times, the width is proportional to T1 /2 α which is a characteristic of anomalous diffusion. The distribution function for the displacement of the particle is found to be a symmetric stable distribution with a stability index 2 α which preserves its shape at all times.

Elemental diffusion in stars

International Nuclear Information System (INIS)

Michaud, Georges; Montmerle, Thierry

1977-01-01

This paper is dealing with the origin of the elements in the universe. The scheme of nucleosynthesis is kept to explain the stellar generation of helium, carbon, etc... from the initial hydrogen; but a nonlinear theory is then elaborated to account for the anomalous abundances which were observed. The chemical elements would diffuse throughout the outer layers of a star under the action of the opposite forces of gravitation and radiation. This theory, with completing the nucleosynthesis, would contribute to give a consistent scheme of the elemental origin and abundances [fr

Study of superionic conductors dynamics by continued diffusion model

International Nuclear Information System (INIS)

Bennai, M.

1993-12-01

The superionic conductors form a special category of solids characterized by their remarkable transport properties and are in general, Simplified as being constituted by the superposition of two inter penetrable crystal lattices. The ions of the first one form a rigid structure through which the other ions of opposite charge diffuse in quasi-liquid way. Basing on experimental and theoretical arguments, it was proved necessary to adopt a model of N-body continued diffusion which the basic theory is that of brownian movement. This thesis deals with the study of the dynamic structure factor S (q,w) and its line half width by the method of development in continued fractions issued from the Mori theory. With regard to the analytical difficulty met at the time of the static correlations functions calculation, the homogeneous approximation was applied and the notion of effective strength was introduced. So, it was obtained general relationships which give the static correlation functions, only in term of the static structure factor of liquids and effective potential. 98 refs.; 22 figs. (F.M.)

Anomalous grain growth in nanocrystalline Fe73.5Cu1Nb3Su13.5B9 alloys

DEFF Research Database (Denmark)

Jiang, Jianzhong

1997-01-01

The grain growth of the FeSi phase during the crystallization process of the amorphous Fe73.5Cu1Nb3Si13.5B9 alloy was studied using transmission electron microscopy and x-ray diffractometry. An anomalous grain growth behaviour of the FeSi phase in the samples annealed in temperature range from 743...... to 823 K for one hour was observed, i.e. the grain size of the FeSi phase slightly decreases when the annealing temperature increases from 743 K ot 823 K. The mechanism of the anomalous grain growth may be due to the different nucleation and volume diffusion rates in the samples anneales at low and high...

Dynamical Behaviors of Stochastic Reaction-Diffusion Cohen-Grossberg Neural Networks with Delays

Directory of Open Access Journals (Sweden)

Li Wan

2012-01-01

Full Text Available This paper investigates dynamical behaviors of stochastic Cohen-Grossberg neural network with delays and reaction diffusion. By employing Lyapunov method, Poincaré inequality and matrix technique, some sufficient criteria on ultimate boundedness, weak attractor, and asymptotic stability are obtained. Finally, a numerical example is given to illustrate the correctness and effectiveness of our theoretical results.

Diffusing-wave spectroscopy in a standard dynamic light scattering setup

Science.gov (United States)

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

2017-12-01

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

Anomalous x-ray scattering

International Nuclear Information System (INIS)

Wendin, G.

1979-01-01

The availability of tunable synchrotron radiation has made it possible systematically to perform x-ray diffraction studies in regions of anomalous scattering near absorption edges, e.g. in order to derive phase information for crystal structure determination. An overview is given of recent experimental and theoretical work and discuss the properties of the anomalous atomic scattering factor, with emphasis on threshold resonances and damping effects. The results are applied to a discussion of the very strong anomalous dispersion recently observed near the L 3 edge in a cesium complex. Also given is an overview of elements and levels where similar behavior can be expected. Finally, the influence of solid state and chemical effects on the absorption edge structure is discussed. 64 references

Diffusion of two-dimensional epitaxial clusters on metal (100) surfaces: Facile versus nucleation-mediated behavior and their merging for larger sizes

Science.gov (United States)

Lai, King C.; Liu, Da-Jiang; Evans, James W.

2017-12-01

For diffusion of two-dimensional homoepitaxial clusters of N atoms on metal (100) surfaces mediated by edge atom hopping, macroscale continuum theory suggests that the diffusion coefficient scales like DN˜ N-β with β =3 /2 . However, we find quite different and diverse behavior in multiple size regimes. These include: (i) facile diffusion for small sizes N mediated diffusion with small β 2 for N =Np+1 and Np+2 also for moderate sizes 9 ≤N ≤O (102) ; (iv) merging of the above distinct branches and subsequent anomalous scaling with 1 ≲β analysis must account for a strong enhancement of diffusivity for short time increments due to back correlation in the cluster motion. Further understanding of this enhancement, of anomalous size scaling behavior, and of the merging of various branches, is facilitated by combinatorial analysis of the number of the ground-state and low-lying excited state cluster configurations, and also of kink populations.

Correlated continuous time random walks: combining scale-invariance with long-range memory for spatial and temporal dynamics

International Nuclear Information System (INIS)

Schulz, Johannes H P; Chechkin, Aleksei V; Metzler, Ralf

2013-01-01

Standard continuous time random walk (CTRW) models are renewal processes in the sense that at each jump a new, independent pair of jump length and waiting time are chosen. Globally, anomalous diffusion emerges through scale-free forms of the jump length and/or waiting time distributions by virtue of the generalized central limit theorem. Here we present a modified version of recently proposed correlated CTRW processes, where we incorporate a power-law correlated noise on the level of both jump length and waiting time dynamics. We obtain a very general stochastic model, that encompasses key features of several paradigmatic models of anomalous diffusion: discontinuous, scale-free displacements as in Lévy flights, scale-free waiting times as in subdiffusive CTRWs, and the long-range temporal correlations of fractional Brownian motion (FBM). We derive the exact solutions for the single-time probability density functions and extract the scaling behaviours. Interestingly, we find that different combinations of the model parameters lead to indistinguishable shapes of the emerging probability density functions and identical scaling laws. Our model will be useful for describing recent experimental single particle tracking data that feature a combination of CTRW and FBM properties. (paper)

MRI assessment of the thigh musculature in dermatomyositis and healthy subjects using diffusion tensor imaging, intravoxel incoherent motion and dynamic DTI.

Science.gov (United States)

Sigmund, E E; Baete, S H; Luo, T; Patel, K; Wang, D; Rossi, I; Duarte, A; Bruno, M; Mossa, D; Femia, A; Ramachandran, S; Stoffel, D; Babb, J S; Franks, A; Bencardino, J

2018-06-04

Dermatomyositis (DM) is an idiopathic inflammatory myopathy involving severe debilitation in need of diagnostics. We evaluated the proximal lower extremity musculature with diffusion tensor imaging (DTI), intravoxel incoherent motion (IVIM) and dynamic DTI in DM patients and controls and compared with standard clinical workup.  METHODS: In this IRB-approved, HIPAA-compliant study with written informed consent, anatomical, Dixon fat/water and diffusion imaging were collected in bilateral thigh MRI of 22 controls and 27 DM patients in a 3T scanner. Compartments were scored on T1/T2 scales. Single voxel dynamic DTI metrics in quadriceps before and after 3-min leg exercise were measured. Spearman rank correlation and mixed model analysis of variance/covariance (ANOVA/ANCOVA) were used to correlate with T1 and T2 scores and to compare patients with controls. DM patients showed significantly lower pseudo-diffusion and volume in quadriceps than controls. All subjects showed significant correlation between T1 score and signal-weighted fat fraction; tissue diffusion and pseudo-diffusion varied significantly with T1 and T2 score in patients. Radial and mean diffusion exercise response in patients was significantly higher than controls. Static and dynamic diffusion imaging metrics show correlation with conventional imaging scores, reveal spatial heterogeneity, and provide means to differentiate dermatomyositis patients from controls. • Diffusion imaging shows regional differences between thigh muscles of dermatomyositis patients and controls. • Signal-weighted fat fraction and diffusion metrics correlate with T1/T2 scores of disease severity. • Dermatomyositis patients show significantly higher radial diffusion exercise response than controls.

Anomalous carbon nuclei

International Nuclear Information System (INIS)

Gasparian, A.P.

1984-01-01

Results are presented from a bubble chamber experiment to search for anomalous mean free path (MFP) phenomena for secondary multicharged fragments (Zsub(f)=5 and 6) of the beam carbon nucleus at 4.2 GeV/c per nucleon. A total of 50000 primary interactions of carbon with propane (C 3 H 8 ) were created. Approximately 6000 beam tragments with charges Zsub(f)=5 and 6 were analyzed in detail to find out an anomalous decrease of MFP. The anomaly is observed only for secondary 12 C nuclei

Molecular Structure and Dynamics of Water on Pristine and Strained Phosphorene: Wetting and Diffusion at Nanoscale.

Science.gov (United States)

Zhang, Wei; Ye, Chao; Hong, Linbi; Yang, Zaixing; Zhou, Ruhong

2016-12-06

Phosphorene, a newly fabricated two-dimensional (2D) nanomaterial, has emerged as a promising material for biomedical applications with great potential. Nonetheless, understanding the wetting and diffusive properties of bio-fluids on phosphorene which are of fundamental importance to these applications remains elusive. In this work, using molecular dynamics (MD) simulations, we investigated the structural and dynamic properties of water on both pristine and strained phosphorene. Our simulations indicate that the diffusion of water molecules on the phosphorene surface is anisotropic, with strain-enhanced diffusion clearly present, which arises from strain-induced smoothing of the energy landscape. The contact angle of water droplet on phosphorene exhibits a non-monotonic variation with the transverse strain. The structure of water on transverse stretched phosphorene is demonstrated to be different from that on longitudinal stretched phosphorene. Moreover, the contact angle of water on strained phosphorene is proportional to the quotient of the longitudinal and transverse diffusion coefficients of the interfacial water. These findings thereby offer helpful insights into the mechanism of the wetting and transport of water at nanoscale, and provide a better foundation for future biomedical applications of phosphorene.

Mittag-Leffler functions as solutions of relaxation-oscillation and diffusion-wave fractional order equation

International Nuclear Information System (INIS)

Sandev, D. Trivche

2010-01-01

The fractional calculus basis, Mittag-Leffler functions, various relaxation-oscillation and diffusion-wave fractional order equation and systems of fractional order equations are considered in this thesis. To solve these fractional order equations analytical methods, such as the Laplace transform method and method of separation of variables are employed. Some applications of the fractional calculus are considered, particularly physical system with anomalous diffusive behavior. (Author)

Anomalous hydrodynamical dispersion and the Coats-Smith equation: the finite size effects

International Nuclear Information System (INIS)

Caceres, Manuel O.

2003-09-01

We investigate a family of probability distributions that shows anomalous hydrodynamics dispersion, by solving a particular class of coupled generalized master equations. The Fourier-Laplace solution is obtained analytically in terms of the matrix Green function method; then the Coats-Smith concentration profile is revisited in a particular case. Two models of disorder are worked out explicitly, and the mean current is asymptotically calculated. We present an approximation method to calculate the first passage time distribution for this stochastic transport process, and as an example an exact Markovian result is worked out; scaling results are also shown. We discuss the comparison with other different methods to work out complex diffusion phenomena in the presence of disordered multiple transport paths. Extensions when the models are non diffusive can also be solved in the Fourier-Laplace representation. (author)

Empirical molecular-dynamics study of diffusion in liquid semiconductors

Science.gov (United States)

Yu, W.; Wang, Z. Q.; Stroud, D.

1996-11-01

We report the results of an extensive molecular-dynamics study of diffusion in liquid Si and Ge (l-Si and l-Ge) and of impurities in l-Ge, using empirical Stillinger-Weber (SW) potentials with several choices of parameters. We use a numerical algorithm in which the three-body part of the SW potential is decomposed into products of two-body potentials, thereby permitting the study of large systems. One choice of SW parameters agrees very well with the observed l-Ge structure factors. The diffusion coefficients D(T) at melting are found to be approximately 6.4×10-5 cm2/s for l-Si, in good agreement with previous calculations, and about 4.2×10-5 and 4.6×10-5 cm2/s for two models of l-Ge. In all cases, D(T) can be fitted to an activated temperature dependence, with activation energies Ed of about 0.42 eV for l-Si, and 0.32 or 0.26 eV for two models of l-Ge, as calculated from either the Einstein relation or from a Green-Kubo-type integration of the velocity autocorrelation function. D(T) for Si impurities in l-Ge is found to be very similar to the self-diffusion coefficient of l-Ge. We briefly discuss possible reasons why the SW potentials give D(T)'s substantially lower than ab initio predictions.

Chaotic dynamics and diffusion in a piecewise linear equation

International Nuclear Information System (INIS)

Shahrear, Pabel; Glass, Leon; Edwards, Rod

2015-01-01

Genetic interactions are often modeled by logical networks in which time is discrete and all gene activity states update simultaneously. However, there is no synchronizing clock in organisms. An alternative model assumes that the logical network is preserved and plays a key role in driving the dynamics in piecewise nonlinear differential equations. We examine dynamics in a particular 4-dimensional equation of this class. In the equation, two of the variables form a negative feedback loop that drives a second negative feedback loop. By modifying the original equations by eliminating exponential decay, we generate a modified system that is amenable to detailed analysis. In the modified system, we can determine in detail the Poincaré (return) map on a cross section to the flow. By analyzing the eigenvalues of the map for the different trajectories, we are able to show that except for a set of measure 0, the flow must necessarily have an eigenvalue greater than 1 and hence there is sensitive dependence on initial conditions. Further, there is an irregular oscillation whose amplitude is described by a diffusive process that is well-modeled by the Irwin-Hall distribution. There is a large class of other piecewise-linear networks that might be analyzed using similar methods. The analysis gives insight into possible origins of chaotic dynamics in periodically forced dynamical systems

Chaotic dynamics and diffusion in a piecewise linear equation

Science.gov (United States)

Shahrear, Pabel; Glass, Leon; Edwards, Rod

2015-03-01

Genetic interactions are often modeled by logical networks in which time is discrete and all gene activity states update simultaneously. However, there is no synchronizing clock in organisms. An alternative model assumes that the logical network is preserved and plays a key role in driving the dynamics in piecewise nonlinear differential equations. We examine dynamics in a particular 4-dimensional equation of this class. In the equation, two of the variables form a negative feedback loop that drives a second negative feedback loop. By modifying the original equations by eliminating exponential decay, we generate a modified system that is amenable to detailed analysis. In the modified system, we can determine in detail the Poincaré (return) map on a cross section to the flow. By analyzing the eigenvalues of the map for the different trajectories, we are able to show that except for a set of measure 0, the flow must necessarily have an eigenvalue greater than 1 and hence there is sensitive dependence on initial conditions. Further, there is an irregular oscillation whose amplitude is described by a diffusive process that is well-modeled by the Irwin-Hall distribution. There is a large class of other piecewise-linear networks that might be analyzed using similar methods. The analysis gives insight into possible origins of chaotic dynamics in periodically forced dynamical systems.

Diffusion between evolving interfaces

International Nuclear Information System (INIS)

Juntunen, Janne; Merikoski, Juha

2010-01-01

Diffusion in an evolving environment is studied by continuous-time Monte Carlo simulations. Diffusion is modeled by continuous-time random walkers on a lattice, in a dynamic environment provided by bubbles between two one-dimensional interfaces driven symmetrically towards each other. For one-dimensional random walkers constrained by the interfaces, the bubble size distribution dominates diffusion. For two-dimensional random walkers, it is also controlled by the topography and dynamics of the interfaces. The results of the one-dimensional case are recovered in the limit where the interfaces are strongly driven. Even with simple hard-core repulsion between the interfaces and the particles, diffusion is found to depend strongly on the details of the dynamical rules of particles close to the interfaces.

Interaction dynamics of two diffusing particles: contact times and influence of nearby surfaces.

Science.gov (United States)

Tränkle, B; Ruh, D; Rohrbach, A

2016-03-14

Interactions of diffusing particles are governed by hydrodynamics on different length and timescales. The local hydrodynamics can be influenced substantially by simple interfaces. Here, we investigate the interaction dynamics of two micron-sized spheres close to plane interfaces to mimic more complex biological systems or microfluidic environments. Using scanned line optical tweezers and fast 3D interferometric particle tracking, we are able to track the motion of each bead with precisions of a few nanometers and at a rate of 10 kilohertz. From the recorded trajectories, all spatial and temporal information is accessible. This way, we measure diffusion coefficients for two coupling particles at varying distances h to one or two glass interfaces. We analyze their coupling strength and length by cross-correlation analysis relative to h and find a significant decrease in the coupling length when a second particle diffuses nearby. By analysing the times the particles are in close contact, we find that the influence of nearby surfaces and interaction potentials reduce the diffusivity strongly, although we found that the diffusivity hardly affects the contact times and the binding probability between the particles. All experimental results are compared to a theoretical model, which is based on the number of possible diffusion paths following the Catalan numbers and a diffusion probability, which is biased by the spheres' surface potential. The theoretical and experimental results agree very well and therefore enable a better understanding of hydrodynamically coupled interaction processes.

Water diffusion in phosphate-containing hydrogels

International Nuclear Information System (INIS)

George, K.A.; Wentrup-Byrne, E.; Hill, D.J.T.; Whittaker, A.K.

2003-01-01

An understanding of the kinetics and diffusion of liquids through polymeric hydrogels is critical for the successful design and application of these materials in biomedical field, particularly as controlled drug delivery systems. In this study, the mechanisms of water transport and parameters that describe the diffusion process in crosslinked poly(2-hydroxyethylmethacrylate-co-methyloxyethylene phosphate), poly(HEMA-co-MOEP) polymers were investigated. The copolymerisation of HEMA with MOEP was initiated by γ radiolysis with full conversion of monomer to polymer. The sorption of water into the polymers with 0 - 30 mol% MOEP was monitored gravimetrically over a period of 2 - 3 weeks. This study provided an insight into the diffusion mechanism and showed that the PHEMA hydrogel displayed concentration-independent Fickian diffusion. As the concentration of MOEP in the network increased, the diffusion rate and the rigidity of the network also increased in a linear fashion. NMR imaging was used in conjunction with the gravimetric study to elucidate the transport mechanisms, diffusion coefficients and proportionality constants governing the water diffusion in the phosphate-containing polymers. The hydrogels with 3 - 20 mol% MOEP exhibited exponential concentration-dependent Fickian diffusion and the transport mechanism in the system with 30 mol% MOEP was shown to be anomalous. The systems with greater concentrations of MOEP displayed a high degree of fracturing during water sorption and resulted in the ultimate destruction of the cylindrical geometry

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

International Nuclear Information System (INIS)

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

2003-01-01

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

Fractional Progress Toward Understanding the Fractional Diffusion Limit: The Electromagnetic Response of Spatially Correlated Geomaterials

Science.gov (United States)

Weiss, C. J.; Beskardes, G. D.; Everett, M. E.

2016-12-01

In this presentation we review the observational evidence for anomalous electromagnetic diffusion in near-surface geophysical exploration and how such evidence is consistent with a detailed, spatially-correlated geologic medium. To date, the inference of multi-scale geologic correlation is drawn from two independent methods of data analysis. The first of which is analogous to seismic move-out, where the arrival time of an electromagnetic pulse is plotted as a function of transmitter/receiver separation. The "anomalous" diffusion is evident by the fractional-order power law behavior of these arrival times, with an exponent value between unity (pure diffusion) and 2 (lossless wave propagation). The second line of evidence comes from spectral analysis of small-scale fluctuations in electromagnetic profile data which cannot be explained in terms of instrument, user or random error. Rather, the power-law behavior of the spectral content of these signals (i.e., power versus wavenumber) and their increments reveals them to lie in a class of signals with correlations over multiple length scales, a class of signals known formally as fractional Brownian motion. Numerical results over simulated geology with correlated electrical texture - representative of, for example, fractures, sedimentary bedding or metamorphic lineation - are consistent with the (albeit limited, but growing) observational data, suggesting a possible mechanism and modeling approach for a more realistic geology. Furthermore, we show how similar simulated results can arise from a modeling approach where geologic texture is economically captured by a modified diffusion equation containing exotic, but manageable, fractional derivatives. These derivatives arise physically from the generalized convolutional form for the electromagnetic constitutive laws and thus have merit beyond mere mathematical convenience. In short, we are zeroing in on the anomalous, fractional diffusion limit from two converging

Microstructural changes in thickened corpus callosum in children: contribution of magnetic resonance diffusion tensor imaging

Energy Technology Data Exchange (ETDEWEB)

Merlini, Laura; Anooshiravani, Mehrak; Kanavaki, Aikaterini; Hanquinet, Sylviane [University of Geneva Children' s Hospital, Pediatric Radiology Unit, Geneva (Switzerland)

2015-06-15

Thickened corpus callosum is a rare finding and its pathophysiology is not well known. An anomalous supracallosal bundle has been depicted by fiber tracking in some cases but no diffusion tensor imaging metrics of thickened corpus callosum have been reported. To use diffusion tensor imaging (DTI) in cases of thickened corpus callosum to help in understanding its clinical significance. During a 7-year period five children (ages 6 months to 15 years) with thickened corpus callosum were studied. We determined DTI metrics of fractional anisotropy (FA), mean diffusivity, and axial (λ1) and radial (λ2, λ3) diffusivity and performed 3-D fiber tracking reconstruction of the thickened corpus callosum. We compared our results with data from the literature and 24 age-matched controls. Brain abnormalities were seen in all cases. All children had at least three measurements of corpus callosum thickness above the 97th percentile according to age. In all children 3-D fiber tracking showed an anomalous supracallosal bundle and statistically significant decrease in FA (P = 0.003) and λ1 (P = 0.001) of the corpus callosum compared with controls, but no significant difference in mean diffusivity and radial diffusivity. Thickened corpus callosum was associated with abnormal bundles, suggesting underlying axonal guidance abnormality. DTI metrics suggested abnormal fiber compactness and density, which may be associated with alterations in cognition. (orig.)

Anomalous Dimensions of Conformal Baryons

DEFF Research Database (Denmark)

Pica, Claudio; Sannino, Francesco

2016-01-01

We determine the anomalous dimensions of baryon operators for the three color theory as function of the number of massless flavours within the conformal window to the maximum known order in perturbation theory. We show that the anomalous dimension of the baryon is controllably small, within...

Explosive anisotropic grain growth of delta-NiMo by solid-state diffusion

International Nuclear Information System (INIS)

Chou, T.C.; Nieh, T.G.

1991-01-01

Anomalous, anisotropic grain growth has been observed in delta(δ)-NiMo intermetallic compound during the annealings of Mo/Ni thin-film diffusion couples at 700 and 800 degree C. Two layered microstructures showing median-sized, equiaxed grains and large columnar single crystalline grains were generated. The growth direction of the columnar grains was parallel to the direction of Ni diffusion flux. Electron diffraction indicated that both the median-sized and the columnar grains were δ-NiMo. The composition of δ-NiMo was determined to be Ni48-Mo52 (at.%). According to the thickness of reaction-formed δ-NiMo, the apparent interdiffusion coefficient was measured to be about 10 -10 cm 2 /s which is 4 to 5 orders of magnitude greater than literature data. The enhanced diffusion rate in Ni-Mo, and the anomalous anisotropic grain growth of δ-NiMo compound are discussed on the basis of exothermic reactions between Ni and Mo during diffusional intermixing. The enthalpy of the formation of δ-NiMo is calculated and demonstrated to be sufficient to cause melting/solidification of the compound

Why do Electrons with "Anomalous Energies" appear in High-Pressure Gas Discharges?

Science.gov (United States)

Kozyrev, Andrey; Kozhevnikov, Vasily; Semeniuk, Natalia

2018-01-01

Experimental studies connected with runaway electron beams generation convincingly shows the existence of electrons with energies above the maximum voltage applied to the discharge gap. Such electrons are also known as electrons with "anomalous energies". We explain the presence of runaway electrons having so-called "anomalous energies" according to physical kinetics principles, namely, we describe the total ensemble of electrons with the distribution function. Its evolution obeys Boltzmann kinetic equation. The dynamics of self-consistent electromagnetic field is taken into the account by adding complete Maxwell's equation set to the resulting system of equations. The electrodynamic mechanism of the interaction of electrons with a travelling-wave electric field is analyzed in details. It is responsible for the appearance of electrons with high energies in real discharges.

Intracellular Transport of Cargo in a Sub-diffusive Environment over an Explicit Cytoskeletal Network

Science.gov (United States)

Maelfeyt, Bryan; Gopinathan, Ajay

Intracellular transport occurs in nearly all eukaryotic cells, where materials such as proteins, lipids, carbohydrates, and nucleic acids travel to target locations through phases of passive, diffusion-based transport and active, motor-driven transport along filaments that make up the cell's cytoskeleton.We develop a computational model of the process with explicit cytoskeletal filament networks. In the active transport phase, cargo moves in straight lines along these filaments that are spread throughout the cell. To model the passive transport phase of cargo in the cytoplasm, where anomalous sub-diffusion is thought to take place, we implement a continuous-time random walk. We use this approach to provide a stepping stone to a predictive model where we can determine transport properties over a cytoskeletal network provided by experimental images of real filaments. We illustrate our approach by modeling the transport of insulin out of the cell and determining the impact of network geometry, anomalous sub-diffusion and motor number on the first-passage time distributions for insulin granules reaching their target destinations on the membrane.

Diffusion of CO2 Molecules in Polyethylene Terephthalate/Polylactide Blends Estimated by Molecular Dynamics Simulations

International Nuclear Information System (INIS)

Liao, Liqiong; Fu, Yizheng; Liang, Ziaoyan; Mei, Linyu; Liu, Yaqing

2013-01-01

Molecular dynamics (MD) simulations have been used to study the diffusion behavior of small gas molecules (CO 2 ) in polyethylene terephthalate (PET)/polylactide (PLA) blends. The Flory-Huggins interaction parameters (χ) determined from the cohesive energy densities are smaller than the critical value of Flory-Huggins interaction parameters (χ critical ), and that indicates the good compatibility of PET/PLA blends. The diffusion coefficients of CO 2 are determined via MD simulations at 298 K. That the order of diffusion coefficients is correlated with the availably fractional free volume (FFV) of CO 2 in the PET/PLA blends means that the FFV plays a vital role in the diffusion behavior of CO 2 molecules in PET/PLA blends. The slopes of the log (MSD) as a function of log (t) are close to unity over the entire composition range of PET/PLA blends, which confirms the feasibility of MD approach reaches the normal diffusion regime of CO 2 in PET/PLA blends

Anomalous transport from holography. Part I

Energy Technology Data Exchange (ETDEWEB)

Bu, Yanyan [Department of Physics, Ben-Gurion University of the Negev,Beer-Sheva 84105 (Israel); Lublinsky, Michael [Department of Physics, Ben-Gurion University of the Negev,Beer-Sheva 84105 (Israel); Physics Department, University of Connecticut,2152 Hillside Road, Storrs, CT 06269-3046 (United States); Sharon, Amir [Department of Physics, Ben-Gurion University of the Negev,Beer-Sheva 84105 (Israel)

2016-11-17

We revisit the transport properties induced by the chiral anomaly in a charged plasma holographically dual to anomalous U(1){sub V}×U(1){sub A} Maxwell theory in Schwarzschild-AdS{sub 5}. Off-shell constitutive relations for vector and axial currents are derived using various approximations generalising most of known in the literature anomaly-induced phenomena and revealing some new ones. In a weak external field approximation, the constitutive relations have all-order derivatives resummed into six momenta-dependent transport coefficient functions: the diffusion, the electric/magnetic conductivity, and three anomaly induced functions. The latter generalise the chiral magnetic and chiral separation effects. Nonlinear transport is studied assuming presence of constant background external fields. The chiral magnetic effect, including all order nonlinearity in magnetic field, is proven to be exact when the magnetic field is the only external field that is turned on. Non-linear corrections to the constitutive relations due to electric and axial external fields are computed.

Anomalous transport from holography. Part I

International Nuclear Information System (INIS)

Bu, Yanyan; Lublinsky, Michael; Sharon, Amir

2016-01-01

We revisit the transport properties induced by the chiral anomaly in a charged plasma holographically dual to anomalous U(1)_V×U(1)_A Maxwell theory in Schwarzschild-AdS_5. Off-shell constitutive relations for vector and axial currents are derived using various approximations generalising most of known in the literature anomaly-induced phenomena and revealing some new ones. In a weak external field approximation, the constitutive relations have all-order derivatives resummed into six momenta-dependent transport coefficient functions: the diffusion, the electric/magnetic conductivity, and three anomaly induced functions. The latter generalise the chiral magnetic and chiral separation effects. Nonlinear transport is studied assuming presence of constant background external fields. The chiral magnetic effect, including all order nonlinearity in magnetic field, is proven to be exact when the magnetic field is the only external field that is turned on. Non-linear corrections to the constitutive relations due to electric and axial external fields are computed.

Anomalous diffusion in neutral evolution of model proteins

Science.gov (United States)

Nelson, Erik D.; Grishin, Nick V.

2015-06-01

Protein evolution is frequently explored using minimalist polymer models, however, little attention has been given to the problem of structural drift, or diffusion. Here, we study neutral evolution of small protein motifs using an off-lattice heteropolymer model in which individual monomers interact as low-resolution amino acids. In contrast to most earlier models, both the length and folded structure of the polymers are permitted to change. To describe structural change, we compute the mean-square distance (MSD) between monomers in homologous folds separated by n neutral mutations. We find that structural change is episodic, and, averaged over lineages (for example, those extending from a single sequence), exhibits a power-law dependence on n . We show that this exponent depends on the alignment method used, and we analyze the distribution of waiting times between neutral mutations. The latter are more disperse than for models required to maintain a specific fold, but exhibit a similar power-law tail.

Can I solve my structure by SAD phasing? Planning an experiment, scaling data and evaluating the useful anomalous correlation and anomalous signal.

Science.gov (United States)

Terwilliger, Thomas C; Bunkóczi, Gábor; Hung, Li Wei; Zwart, Peter H; Smith, Janet L; Akey, David L; Adams, Paul D

2016-03-01

A key challenge in the SAD phasing method is solving a structure when the anomalous signal-to-noise ratio is low. Here, algorithms and tools for evaluating and optimizing the useful anomalous correlation and the anomalous signal in a SAD experiment are described. A simple theoretical framework [Terwilliger et al. (2016), Acta Cryst. D72, 346-358] is used to develop methods for planning a SAD experiment, scaling SAD data sets and estimating the useful anomalous correlation and anomalous signal in a SAD data set. The phenix.plan_sad_experiment tool uses a database of solved and unsolved SAD data sets and the expected characteristics of a SAD data set to estimate the probability that the anomalous substructure will be found in the SAD experiment and the expected map quality that would be obtained if the substructure were found. The phenix.scale_and_merge tool scales unmerged SAD data from one or more crystals using local scaling and optimizes the anomalous signal by identifying the systematic differences among data sets, and the phenix.anomalous_signal tool estimates the useful anomalous correlation and anomalous signal after collecting SAD data and estimates the probability that the data set can be solved and the likely figure of merit of phasing.

Anomalous couplings in WZ production beyond NLO QCD

Energy Technology Data Exchange (ETDEWEB)

Campanario, Francisco; Roth, Robin; Zeppenfeld, Dieter [Institute for Theoretical Physics, KIT, Karlsruhe (Germany); Sapeta, Sebastian [CERN PH-TH, Geneva (Switzerland)

2016-07-01

We study WZ production with anomalous couplings (AC) at anti nNLO QCD using the LoopSim method in combination with the Monte Carlo program VBFNLO. Higher order corrections to WZ production are dominated by additional hard jet radiation. Those contributions are insensitive to AC and should thus be suppressed in analyses. We do this using a dynamical jet veto based on the transverse energy of the QCD and EW final state particles. This removes jet dominated events without introducing problematic logs like a fixed p{sub T} jet veto.

Ergodicity breaking, ageing, and confinement in generalized diffusion processes with position and time dependent diffusivity

International Nuclear Information System (INIS)

Cherstvy, Andrey G; Metzler, Ralf

2015-01-01

We study generalized anomalous diffusion processes whose diffusion coefficient D(x, t) ∼ D 0 |x| α t β depends on both the position x of the test particle and the process time t. This process thus combines the features of scaled Brownian motion and heterogeneous diffusion parent processes. We compute the ensemble and time averaged mean squared displacements of this generalized diffusion process. The scaling exponent of the ensemble averaged mean squared displacement is shown to be the product of the critical exponents of the parent processes, and describes both subdiffusive and superdiffusive systems. We quantify the amplitude fluctuations of the time averaged mean squared displacement as function of the length of the time series and the lag time. In particular, we observe a weak ergodicity breaking of this generalized diffusion process: even in the long time limit the ensemble and time averaged mean squared displacements are strictly disparate. When we start to observe this process some time after its initiation we observe distinct features of ageing. We derive a universal ageing factor for the time averaged mean squared displacement containing all information on the ageing time and the measurement time. External confinement is shown to alter the magnitudes and statistics of the ensemble and time averaged mean squared displacements. (paper)

Molecular dynamics simulation of helium and oxygen diffusion in UO{sub 2+}-{sub x}

Energy Technology Data Exchange (ETDEWEB)

Govers, K., E-mail: kgovers@sckcen.b [Service de Metrologie Nucleaire (CP 165/84), Universite Libre de Bruxelles, 50 av. F.D. Roosevelt, B-1050 Bruxelles (Belgium); Institute for Nuclear Materials Sciences, SCK-CEN, Boeretang 200, B-2400 Mol (Belgium); Lemehov, S. [Institute for Nuclear Materials Sciences, SCK-CEN, Boeretang 200, B-2400 Mol (Belgium); Hou, M. [Physique des Solides Irradies et des Nanostructures (CP 234), Universite Libre de Bruxelles, Bd du Triomphe, B-1050 Bruxelles (Belgium); Verwerft, M. [Institute for Nuclear Materials Sciences, SCK-CEN, Boeretang 200, B-2400 Mol (Belgium)

2009-12-15

Atomic scale simulation techniques based on empirical potentials have been considered in the present work to get insight on helium diffusion in uranium dioxide. By varying the stoichiometry, together with the system temperature, the performed molecular dynamics simulations indicate two diffusion regimes for He. The first one presents a low activation energy (0.5 eV) and suggests oxygen vacancies assisted migration. This regime seems to provide the major contribution to diffusion when structural defects are present (extrinsic defects, imposed, e.g. by the stoichiometry). The second regime presents a higher activation energy, around 2 eV, and dominates in the higher temperature range or at perfect stoichiometry, suggesting an intrinsic migration process. Considering the dependence of He behaviour with oxygen defects, oxygen diffusion has been considered as well in the different stoichiometry domains. Finally, further investigations were made with nudged elastic bands calculations for a better interpretation of the operating migration mechanisms, both for He and O.

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

Science.gov (United States)

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

2018-02-01

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

Elimination of extracranial blood flow during dynamic cerebral perfusion studies using diffusible and non-diffusible radioisotope

International Nuclear Information System (INIS)

Ahonen, A.; Koivula, A.; Kallanranta, T.; Kuikka, J.

1981-01-01

The extracranial blood flow seriously complicates the interpretation of dynamic cerebral studies. To eliminate this, we used a blood pressure cuff placed around the head in 50 patients with no evidence of cerebrovascular disease. The pressure in the headband was increased to 30 mmHg above the patient's systolic pressure, and the first 60 sec static scintigram was taken exactly 3 min after the injection of sup(99m)Tc-pertechnetate. A second 60 sec static scintigram was taken without pressure in the headband at 6 min after injection. After correction for diffusion of tracer into extravascular compartments we could still show 13% reduction in counting rates over the hemispheric regions and 30% over the convexity regions during application of the pressure headband. With the Xenon method, the application of the headband appears to have insignificant influence on the results of cerebral perfusion. We thus recommend that a headband should be used for dynamic sup(99m)Tc-isotope cerebral circulation studies. (author)

Lacute evy diffusion and classes of universal parametric correlations

International Nuclear Information System (INIS)

Kusnezov, D.; Lewenkopf, C.H.

1996-01-01

A general formulation of translationally invariant, parametrically correlated random matrix ensembles, is used to classify universality in correlation functions. Surprisingly, the range of possible physical systems is bounded, and can be labeled by a parameter α element-of(0,2), in a manner analogous to Lacute evy diffusion. Universality is obtained after scaling by the (anomalous) diffusion constant D α (the usual scaling is divergent for α<2). For each α, correlation functions are universal, and distinct. The previous results in the literature correspond to the limiting case of superdiffusion, α=2. copyright 1996 The American Physical Society

Dynamic phase transition in diffusion-limited reactions

International Nuclear Information System (INIS)

Tauber, U.C.

2002-01-01

Many non-equilibrium systems display dynamic phase transitions from active to absorbing states, where fluctuations cease entirely. Based on a field theory representation of the master equation, the critical behavior can be analyzed by means of the renormalization group. The resulting universality classes for single-species systems are reviewed here. Generically, the critical exponents are those of directed percolation (Reggeon field theory), with critical dimension d c = 4. Yet local particle number parity conservation in even-offspring branching and annihilating random walks implies an inactive phase (emerging below d c = 4/3) that is characterized by the power laws of the pair annihilation reaction, and leads to different critical exponents at the transition. For local processes without memory, the pair contact process with diffusion represents the only other non-trivial universality class. The consistent treatment of restricted site occupations and quenched random reaction rates are important open issues (Author)

Diffusion-assisted selective dynamical recoupling: A new approach to measure background gradients in magnetic resonance

Science.gov (United States)

Álvarez, Gonzalo A.; Shemesh, Noam; Frydman, Lucio

2014-02-01

Dynamical decoupling, a generalization of the original NMR spin-echo sequence, is becoming increasingly relevant as a tool for reducing decoherence in quantum systems. Such sequences apply non-equidistant refocusing pulses for optimizing the coupling between systems, and environmental fluctuations characterized by a given noise spectrum. One such sequence, dubbed Selective Dynamical Recoupling (SDR) [P. E. S. Smith, G. Bensky, G. A. Álvarez, G. Kurizki, and L. Frydman, Proc. Natl. Acad. Sci. 109, 5958 (2012)], allows one to coherently reintroduce diffusion decoherence effects driven by fluctuations arising from restricted molecular diffusion [G. A. Álvarez, N. Shemesh, and L. Frydman, Phys. Rev. Lett. 111, 080404 (2013)]. The fully-refocused, constant-time, and constant-number-of-pulses nature of SDR also allows one to filter out "intrinsic" T1 and T2 weightings, as well as pulse errors acting as additional sources of decoherence. This article explores such features when the fluctuations are now driven by unrestricted molecular diffusion. In particular, we show that diffusion-driven SDR can be exploited to investigate the decoherence arising from the frequency fluctuations imposed by internal gradients. As a result, SDR presents a unique way of probing and characterizing these internal magnetic fields, given an a priori known free diffusion coefficient. This has important implications in studies of structured systems, including porous media and live tissues, where the internal gradients may serve as fingerprints for the system's composition or structure. The principles of this method, along with full analytical solutions for the unrestricted diffusion-driven modulation of the SDR signal, are presented. The potential of this approach is demonstrated with the generation of a novel source of MRI contrast, based on the background gradients active in an ex vivo mouse brain. Additional features and limitations of this new method are discussed.

Diffusion-assisted selective dynamical recoupling: A new approach to measure background gradients in magnetic resonance

International Nuclear Information System (INIS)

Álvarez, Gonzalo A.; Shemesh, Noam; Frydman, Lucio

2014-01-01

Dynamical decoupling, a generalization of the original NMR spin-echo sequence, is becoming increasingly relevant as a tool for reducing decoherence in quantum systems. Such sequences apply non-equidistant refocusing pulses for optimizing the coupling between systems, and environmental fluctuations characterized by a given noise spectrum. One such sequence, dubbed Selective Dynamical Recoupling (SDR) [P. E. S. Smith, G. Bensky, G. A. Álvarez, G. Kurizki, and L. Frydman, Proc. Natl. Acad. Sci. 109, 5958 (2012)], allows one to coherently reintroduce diffusion decoherence effects driven by fluctuations arising from restricted molecular diffusion [G. A. Álvarez, N. Shemesh, and L. Frydman, Phys. Rev. Lett. 111, 080404 (2013)]. The fully-refocused, constant-time, and constant-number-of-pulses nature of SDR also allows one to filter out “intrinsic” T 1 and T 2 weightings, as well as pulse errors acting as additional sources of decoherence. This article explores such features when the fluctuations are now driven by unrestricted molecular diffusion. In particular, we show that diffusion-driven SDR can be exploited to investigate the decoherence arising from the frequency fluctuations imposed by internal gradients. As a result, SDR presents a unique way of probing and characterizing these internal magnetic fields, given an a priori known free diffusion coefficient. This has important implications in studies of structured systems, including porous media and live tissues, where the internal gradients may serve as fingerprints for the system's composition or structure. The principles of this method, along with full analytical solutions for the unrestricted diffusion-driven modulation of the SDR signal, are presented. The potential of this approach is demonstrated with the generation of a novel source of MRI contrast, based on the background gradients active in an ex vivo mouse brain. Additional features and limitations of this new method are discussed

The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si

Energy Technology Data Exchange (ETDEWEB)

Wallace, J. B.; Aji, L. B. Bayu; Martin, A. A.; Shin, S. J.; Shao, L.; Kucheyev, S. O.

2017-01-06

The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10–0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV and 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.

ReaDDy--a software for particle-based reaction-diffusion dynamics in crowded cellular environments.

Directory of Open Access Journals (Sweden)

Johannes Schöneberg

Full Text Available We introduce the software package ReaDDy for simulation of detailed spatiotemporal mechanisms of dynamical processes in the cell, based on reaction-diffusion dynamics with particle resolution. In contrast to other particle-based reaction kinetics programs, ReaDDy supports particle interaction potentials. This permits effects such as space exclusion, molecular crowding and aggregation to be modeled. The biomolecules simulated can be represented as a sphere, or as a more complex geometry such as a domain structure or polymer chain. ReaDDy bridges the gap between small-scale but highly detailed molecular dynamics or Brownian dynamics simulations and large-scale but little-detailed reaction kinetics simulations. ReaDDy has a modular design that enables the exchange of the computing core by efficient platform-specific implementations or dynamical models that are different from Brownian dynamics.

General solution of the aerosol dynamic equation: growth and diffusion processes

International Nuclear Information System (INIS)

Elgarayhi, A.; Elhanbaly, A.

2004-01-01

The dispersion of aerosol particles in a fluid media is studied considering the main mechanism for condensation and diffusion. This has been done when the technique of Lie is used for solving the aerosol dynamic equation. This method is very useful in sense that it reduces the partial differential equation to some ordinary differential equations. So, different classes of similarity solutions have been obtained. The quantity of well-defined physical interest is the mean particle volume has been calculated

Contribution to the study of diffusion in rare earth metals and actinides

International Nuclear Information System (INIS)

Marbach, Gabriel.

1978-07-01

This work describes several experiments carried out in order to understand the process of self diffusion in rare earth and actinides (self diffusion of body centered cubic γ neptunium, diffusion of gadolinium in body centered delta cerium, measurement of the activation volume of face centered cubic γ cerium). The unstable electronic structure of some elements cannot be correlate with anomalous diffusion properties. In fact the diffusion parameters of neptunium and plutonium are similar (high diffusivity and low activation energy) whereas the electronic structure of neptunium is stable and that of plutonium is temperature dependent. The negative activation volume of the body centered cubic phases of plutonium and cerium does not indicate a particular diffusion mechanism since self diffusion is faster under pressure in face centered cubic γ cerium where a vacancy mechanism is assumed according to earlier results. The vacancy mechanism is the most probable diffusion process in the body centered cubic and compact phases of rare earths and actinides [fr

Normal and anomalous diffusion of non-interacting particles in linear nanopores

NARCIS (Netherlands)

Zschiegner, S.; Russ, S.; Valiullin, R.; Coppens, M.O.; Dammers, A.J.; Bunde, A.; Kärger, J.

2008-01-01

The diffusion of gas molecules in pores is determined by the collisions between the molecules as well as by the collisions of the molecules with the pore walls. In many applications the so-called Knudsen regime is of particular interest. In this regime the collisions of the molecules with the pore

Anomalous Hall effect in polycrystalline Ni films

KAUST Repository

Guo, Zaibing

2012-02-01

We systematically studied the anomalous Hall effect in a series of polycrystalline Ni films with thickness ranging from 4 to 200 nm. It is found that both the longitudinal and anomalous Hall resistivity increased greatly as film thickness decreased. This enhancement should be related to the surface scattering. In the ultrathin films (46 nm thick), weak localization corrections to anomalous Hall conductivity were studied. The granular model, taking into account the dominated intergranular tunneling, has been employed to explain this phenomenon, which can explain the weak dependence of anomalous Hall resistivity on longitudinal resistivity as well. © 2011 Elsevier Ltd. All rights reserved.

Active-Site Hydration and Water Diffusion in Cytochrome P450cam: A Highly Dynamic Process

Energy Technology Data Exchange (ETDEWEB)

Miao, Yinglong [ORNL; Baudry, Jerome Y [ORNL

2011-01-01

Long-timescale molecular dynamics simulations (300 ns) are performed on both the apo- (i.e., camphor-free) and camphor-bound cytochrome P450cam (CYP101). Water diffusion into and out of the protein active site is observed without biased sampling methods. During the course of the molecular dynamics simulation, an average of 6.4 water molecules is observed in the camphor-binding site of the apo form, compared to zero water molecules in the binding site of the substrate-bound form, in agreement with the number of water molecules observed in crystal structures of the same species. However, as many as 12 water molecules can be present at a given time in the camphor-binding region of the active site in the case of apo-P450cam, revealing a highly dynamic process for hydration of the protein active site, with water molecules exchanging rapidly with the bulk solvent. Water molecules are also found to exchange locations frequently inside the active site, preferentially clustering in regions surrounding the water molecules observed in the crystal structure. Potential-of-mean-force calculations identify thermodynamically favored trans-protein pathways for the diffusion of water molecules between the protein active site and the bulk solvent. Binding of camphor in the active site modifies the free-energy landscape of P450cam channels toward favoring the diffusion of water molecules out of the protein active site.

Molecular dynamics simulations of the diffusion and coalescence of helium in tungsten

International Nuclear Information System (INIS)

Zhou, Y.L.; Wang, J.; Hou, Q.; Deng, A.H.

2014-01-01

Molecular dynamics (MD) simulations are performed on the diffusion and coalescence of helium in tungsten. A new method for determining the effective capture radii (ECRs) and the dissociation energies of helium-related defects is proposed in this work. It is observed that the ECR of an interstitial helium atom trapping helium interstitials (denoted as He–He n , n = 1–3) decreases with increasing temperature, except for He–He 2 at T n for helium clusters are also investigated. He 2 migrates more quickly than a single He atom does at T 2 changes at higher temperatures. Another counterintuitive observation is that D 5 > D 3 > D 4 at T 5 . The Arrhenius relation describes the diffusion of He n well in the temperature range from 300 K to 550 K, whereas the diffusion is not a standard thermally activated process at higher temperatures. Taken together, these results help elucidate the initial stage of helium bubble formation in tungsten as well as the requirements of long-term evolution methods such as KMC or RT models

Exploring the dynamics of balance data - movement variability in terms of drift and diffusion

Energy Technology Data Exchange (ETDEWEB)

Gottschall, Julia [Institute of Physics, University of Oldenburg, D-26111 Oldenburg (Germany)], E-mail: julia.gottschall@uni-oldenburg.de; Peinke, Joachim [Institute of Physics, University of Oldenburg, D-26111 Oldenburg (Germany)], E-mail: peinke@uni-oldenburg.de; Lippens, Volker [Department of Human Movement, University of Hamburg, Moller Street 10, D-20148 Hamburg (Germany)], E-mail: vlippens@uni-hamburg.de; Nagel, Volker [Department of Human Movement, University of Hamburg, Moller Street 10, D-20148 Hamburg (Germany)

2009-02-23

We introduce a method to analyze postural control on a balance board by reconstructing the underlying dynamics in terms of a Langevin model. Drift and diffusion coefficients are directly estimated from the data and fitted by a suitable parametrization. The governing parameters are utilized to evaluate balance performance and the impact of supra-postural tasks on it. We show that the proposed method of analysis gives not only self-consistent results but also provides a plausible model for the reconstruction of balance dynamics.

Exploring the dynamics of balance data - movement variability in terms of drift and diffusion

International Nuclear Information System (INIS)

Gottschall, Julia; Peinke, Joachim; Lippens, Volker; Nagel, Volker

2009-01-01

We introduce a method to analyze postural control on a balance board by reconstructing the underlying dynamics in terms of a Langevin model. Drift and diffusion coefficients are directly estimated from the data and fitted by a suitable parametrization. The governing parameters are utilized to evaluate balance performance and the impact of supra-postural tasks on it. We show that the proposed method of analysis gives not only self-consistent results but also provides a plausible model for the reconstruction of balance dynamics

Ab initio molecular dynamics simulation of interstitial diffusion in Ni–Cr alloys and implications for radiation induced segregation

Energy Technology Data Exchange (ETDEWEB)

Barnard, L., E-mail: lmbarnard@wisc.edu; Morgan, D., E-mail: ddmorgan@wisc.edu

2014-06-01

In this study, ab initio molecular dynamics, implemented via density functional theory, is used to simulate self-interstitial diffusion in pure Ni and in the Ni-18 at.% Cr model alloy. Interstitial tracer diffusivities are measured from simulation results for pure Ni and for both Ni and Cr in the Ni–18Cr alloy. An Arrhenius function fit to these tracer diffusivities is then used in a rate theory model for radiation induced segregation, along with the experimentally measured vacancy diffusivities. It is predicted that interstitial diffusion has a tendency to cause Cr enrichment near grain boundaries, partially counterbalancing the tendency for vacancy diffusion to cause Cr depletion. This results in more mild Cr depletion than would result if only the vacancy diffusion were accounted for, in better agreement with experiment. This physical description of RIS in Ni–Cr alloys, which invokes the effects of both vacancy and interstitial diffusion, is distinct from the conventional description which accounts only for the effect of vacancy diffusion.

Ab initio molecular dynamics simulation of interstitial diffusion in Ni–Cr alloys and implications for radiation induced segregation

International Nuclear Information System (INIS)

Barnard, L.; Morgan, D.

2014-01-01

In this study, ab initio molecular dynamics, implemented via density functional theory, is used to simulate self-interstitial diffusion in pure Ni and in the Ni-18 at.% Cr model alloy. Interstitial tracer diffusivities are measured from simulation results for pure Ni and for both Ni and Cr in the Ni–18Cr alloy. An Arrhenius function fit to these tracer diffusivities is then used in a rate theory model for radiation induced segregation, along with the experimentally measured vacancy diffusivities. It is predicted that interstitial diffusion has a tendency to cause Cr enrichment near grain boundaries, partially counterbalancing the tendency for vacancy diffusion to cause Cr depletion. This results in more mild Cr depletion than would result if only the vacancy diffusion were accounted for, in better agreement with experiment. This physical description of RIS in Ni–Cr alloys, which invokes the effects of both vacancy and interstitial diffusion, is distinct from the conventional description which accounts only for the effect of vacancy diffusion

Anomalous Arctic surface wind patterns and their impacts on September sea ice minima and trend

Directory of Open Access Journals (Sweden)

Bingyi Wu

2012-05-01

Full Text Available We used monthly mean surface wind data from the National Centers for Environmental Prediction/National Centers for Atmospheric Research (NCEP/NCAR reanalysis dataset during the period 1979–2010 to describe the first two patterns of Arctic surface wind variability by means of the complex vector empirical orthogonal function (CVEOF analysis. The first two patterns respectively account for 31 and 16% of its total anomalous kinetic energy. The leading pattern consists of the two subpatterns: the northern Laptev Sea (NLS pattern and the Arctic dipole (AD pattern. The second pattern contains the northern Kara Sea (NKS pattern and the central Arctic (CA pattern. Over the past two decades, the combined dynamical forcing of the first two patterns has contributed to Arctic September sea ice extent (SIE minima and its declining trend. September SIE minima are mainly associated with the negative phase of the AD pattern and the positive phase of the CA pattern during the summer (July to September season, and both phases coherently show an anomalous anticyclone over the Arctic Ocean. Wind patterns affect September SIE through their frequency and intensity. The negative trend in September SIE over the past two decades is associated with increased frequency and enhanced intensity of the CA pattern during the melting season from April to September. Thus, it cannot be simply attributed to the AD anomaly characterised by the second empirical orthogonal function mode of sea level pressure north of 70°N. The CA pattern exhibited interdecadal variability in the late 1990s, and an anomalous cyclone prevailed before 1997 and was then replaced by an anomalous anticyclone over the Arctic Ocean that is consistent with the rapid decline trend in September SIE. This paper provides an alternative way to identify the dominant patterns of climate variability and investigate their associated Arctic sea ice variability from a dynamical perspective. Indeed, this study

Ionic Diffusion in a Ternary Superionic Conductor: An {ital Ab Initio} Molecular Dynamics Study

Energy Technology Data Exchange (ETDEWEB)

Wengert, S.; Nesper, R.; Andreoni, W.; Parrinello, M. [Laboratorium fuer Anorganische Chemie, ETH Zuerich, 8092 Zuerich (Switzerland)]|[IBM Research Division, Zurich Research Laboratory, 8803 Rueschlikon (Switzerland)]|[Max-Planck-Institut fuer Festkoerperforschung, 70569 Stuttgart (Germany)

1996-12-01

We present Car-Parrinello molecular dynamics simulations of a novel superionic conductor, Li{sub 2{minus}2{ital x}}Mg{sub 1+{ital x}}Si ({ital x}{approximately}0.06), at different temperatures. The calculations clarify the nature of the ionic conduction and lead to the prediction of the first inorganic magnesium superionic conductor. In fact, both lithium and magnesium are found to act as charge carriers. The diffusion is fast and can be described as vacancy migration through directed jumps. The calculated diffusion constants for lithium are consistent with recent electrochemical measurements. {copyright} {ital 1996 The American Physical Society.}

Dynamics of highly polydisperse colloidal suspensions as a model system for bacterial cytoplasm.

Science.gov (United States)

Hwang, Jiye; Kim, Jeongmin; Sung, Bong June

2016-08-01

There are various kinds of macromolecules in bacterial cell cytoplasm. The size polydispersity of the macromolecules is so significant that the crystallization and the phase separation could be suppressed, thus stabilizing the liquid state of bacterial cytoplasm. On the other hand, recent experiments suggested that the macromolecules in bacterial cytoplasm should exhibit glassy dynamics, which should be also affected significantly by the size polydispersity of the macromolecules. In this work, we investigate the anomalous and slow dynamics of highly polydisperse colloidal suspensions, of which size distribution is chosen to mimic Escherichia coli cytoplasm. We find from our Langevin dynamics simulations that the diffusion coefficient (D_{tot}) and the displacement distribution functions (P(r,t)) averaged over all colloids of different sizes do not show anomalous and glassy dynamic behaviors until the system volume fraction ϕ is increased up to 0.82. This indicates that the intrinsic polydispersity of bacterial cytoplasm should suppress the glass transition and help maintain the liquid state of the cytoplasm. On the other hand, colloids of each kind show totally different dynamic behaviors depending on their size. The dynamics of colloids of different size becomes non-Gaussian at a different range of ϕ, which suggests that a multistep glass transition should occur. The largest colloids undergo the glass transition at ϕ=0.65, while the glass transition does not occur for smaller colloids in our simulations even at the highest value of ϕ. We also investigate the distribution (P(θ,t)) of the relative angles of displacement for macromolecules and find that macromolecules undergo directionally correlated motions in a sufficiently dense system.

Multiscale Reaction-Diffusion Algorithms: PDE-Assisted Brownian Dynamics

KAUST Repository

Franz, Benjamin

2013-06-19

Two algorithms that combine Brownian dynami cs (BD) simulations with mean-field partial differential equations (PDEs) are presented. This PDE-assisted Brownian dynamics (PBD) methodology provides exact particle tracking data in parts of the domain, whilst making use of a mean-field reaction-diffusion PDE description elsewhere. The first PBD algorithm couples BD simulations with PDEs by randomly creating new particles close to the interface, which partitions the domain, and by reincorporating particles into the continuum PDE-description when they cross the interface. The second PBD algorithm introduces an overlap region, where both descriptions exist in parallel. It is shown that the overlap region is required to accurately compute variances using PBD simulations. Advantages of both PBD approaches are discussed and illustrative numerical examples are presented. © 2013 Society for Industrial and Applied Mathematics.

Anomalous transport in turbulent plasmas and continuous time random walks

International Nuclear Information System (INIS)

Balescu, R.

1995-01-01

The possibility of a model of anomalous transport problems in a turbulent plasma by a purely stochastic process is investigated. The theory of continuous time random walks (CTRW's) is briefly reviewed. It is shown that a particular class, called the standard long tail CTRW's is of special interest for the description of subdiffusive transport. Its evolution is described by a non-Markovian diffusion equation that is constructed in such a way as to yield exact values for all the moments of the density profile. The concept of a CTRW model is compared to an exact solution of a simple test problem: transport of charged particles in a fluctuating magnetic field in the limit of infinite perpendicular correlation length. Although the well-known behavior of the mean square displacement proportional to t 1/2 is easily recovered, the exact density profile cannot be modeled by a CTRW. However, the quasilinear approximation of the kinetic equation has the form of a non-Markovian diffusion equation and can thus be generated by a CTRW

Molecular dynamics simulations of self-diffusion near a symmetrical tilt grain boundary in UO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Vincent-Aublant, E.; Delaye, J.M. [CEA-Marcoule, DEN/DTCD/SECM, B.P. 17171, 30207 Bagnols sur Ceze cedex (France); Van Brutzel, L. [CEA-Saclay, DEN-DANS/DPC/SCP/LM2T, 91191 Gif-sur-Yvette (France)

2008-07-01

Molecular dynamics (MD) simulations have been used to study the influence of symmetrical tilt grain boundaries (GBs) in stoichiometric UO{sub 2} on uranium and oxygen self-diffusions. The study was performed on a large range of temperature varying from 300 K to 2100 K. First, the effect of the temperature on the structure and the formation energies of 6 relaxed tilt GBs was investigated. The {sigma}5 and {sigma}41 GBs geometries were chosen to study the diffusion. O and U diffusion coefficients have been calculated and compared to those obtained in a perfect stoichiometric UO{sub 2} as well as in over and under-stoichiometric matrices. (authors)

Grain boundary diffusion in terms of the tempered fractional calculus

International Nuclear Information System (INIS)

Sibatov, R.T.; Svetukhin, V.V.

2017-01-01

Mathematical treatment of grain-boundary diffusion based on the model first proposed by Fisher is usually formulated in terms of normal diffusion equations in a two-component nonhomogeneous medium. On the other hand, fractional equations of anomalous diffusion proved themselves to be useful in description of grain-boundary diffusion phenomena. Moreover, the most important propagation regime predicted by Fisher's model demonstrates subdiffusive behavior. However, the direct link between fractional approach and the Fisher model and its modifications has not found yet. Here, we fill this gap and show that solution of fractional subdiffusion equation offers general properties of classical solutions obtained by Whipple and Suzuoka. The tempered fractional approach is a convenient tool for studying precipitation in granular materials as the tempered subdiffusion limited process. - Highlights: • The link connected fractional diffusion approach and Fisher's model of grain-boundary diffusion is derived. • The subdiffusion exponent of grain-boundary diffusion can differ from 1/2. • Nucleation in granular materials is modeled by the process limited by tempered subdiffusion.

Grain boundary diffusion in terms of the tempered fractional calculus

Energy Technology Data Exchange (ETDEWEB)

Sibatov, R.T., E-mail: ren_sib@bk.ru [Ulyanovsk State University, 432017, 42 Leo Tolstoy str., Ulyanovsk (Russian Federation); Svetukhin, V.V. [Ulyanovsk State University, 432017, 42 Leo Tolstoy str., Ulyanovsk (Russian Federation); Institute of Nanotechnology and Microelectronics of the Russian Academy of Sciences, 115487, 18 Nagatinskaya str., Moscow (Russian Federation)

2017-06-28

Mathematical treatment of grain-boundary diffusion based on the model first proposed by Fisher is usually formulated in terms of normal diffusion equations in a two-component nonhomogeneous medium. On the other hand, fractional equations of anomalous diffusion proved themselves to be useful in description of grain-boundary diffusion phenomena. Moreover, the most important propagation regime predicted by Fisher's model demonstrates subdiffusive behavior. However, the direct link between fractional approach and the Fisher model and its modifications has not found yet. Here, we fill this gap and show that solution of fractional subdiffusion equation offers general properties of classical solutions obtained by Whipple and Suzuoka. The tempered fractional approach is a convenient tool for studying precipitation in granular materials as the tempered subdiffusion limited process. - Highlights: • The link connected fractional diffusion approach and Fisher's model of grain-boundary diffusion is derived. • The subdiffusion exponent of grain-boundary diffusion can differ from 1/2. • Nucleation in granular materials is modeled by the process limited by tempered subdiffusion.

The effect of interfacial intermixing on magnetization and anomalous Hall effect in Co/Pd multilayers

KAUST Repository

Guo, Zaibing

2015-05-01

The effect of interfacial intermixing on magnetization and anomalous Hall effect (AHE) in Co/Pd multilayers is studied by using rapid thermal annealing to enhance the interfacial diffusion. The dependence of saturation magnetization and coercivity on the temperature of rapid thermal annealing at 5 K is discussed. It is found that AHE is closely related to the relative thickness of the Co and Pd layers. Localized paramagnetism has been observed which destroys AHE, while AHE can be enhanced by annealing.

Neutron spectroscopy of fast hydrogen diffusion in BCC transition metals

International Nuclear Information System (INIS)

Richter, D.; Lottner, V.

1979-01-01

Quasielastic neutron scattering reveals microscopic details of both the time and space development of the H-diffusion process on an atomic scale. After outlining the method on the example of PdH/sub x/, new results on the jump geometry in bcc metals are surveyed. In particular, the anomalous diffusion behavior of H in Nb, Ta, and V at elevated temperature is emphasized, where correlated jump processes are important. The influence of impurities on the H-diffusion process is demonstrated by experiments performed on NbH/sub x/ doped with nitrogen impurities, which act as trapping centers for the diffusing hydrogen. The results are discussed in terms of a two-state random walk model which includes multiple trapping and detrapping processes. The concentration and temperature dependence of the capture and escape rates of traps are obtained

Diffusion processes in the magnetopause boundary layer

International Nuclear Information System (INIS)

Tsurutani, B.T.; Thorne, R.M.

1982-01-01

Anomalous cross-field diffusion of magnetosheath ions and electrons is a direct consequence of cyclotron-resonant scattering by electrostatic and electromagnetic emissions which are continuously present within the magnetopause boundary layer. Expressions for the rate of cross-field diffusion involving either type of wave are developed and expressed in terms of the absolute upper limit referred to as Bohm diffusion. For the typical average intensity of waves observed in the boundary layer, resonant electron cross-field diffusion is always insignificant. However, magnetosheath ions, resonant with low frequency electrostatic waves, may be transported inward at a rate approaching one tenth the Bohm rate (D/sub perpendiculartsperpendicular/roughly-equal10 3 km 2 /s). While this is not the only mechanism capable of explaining the presence of the low latitude boundary layer it is adequate to account for the typical boundary layer thickness and it should occur at all local times and under all interplanetary conditions. It consequently provides a continuous mechanism for significant mass and momentum transfer across the magnetopause under conditions when field merging is inoperative

Algorithms for testing of fractional dynamics: a practical guide to ARFIMA modelling

International Nuclear Information System (INIS)

Burnecki, Krzysztof; Weron, Aleksander

2014-01-01

In this survey paper we present a systematic methodology which demonstrates how to identify the origins of fractional dynamics. We consider three mechanisms which lead to it, namely fractional Brownian motion, fractional Lévy stable motion and an autoregressive fractionally integrated moving average (ARFIMA) process but we concentrate on the ARFIMA modelling. The methodology is based on statistical tools for identification and validation of the fractional dynamics, in particular on an ARFIMA parameter estimator, an ergodicity test, a self-similarity index estimator based on sample p-variation and a memory parameter estimator based on sample mean-squared displacement. A complete list of algorithms needed for this is provided in appendices A–F. Finally, we illustrate the methodology on various empirical data and show that ARFIMA can be considered as a universal model for fractional dynamics. Thus, we provide a practical guide for experimentalists on how to efficiently use ARFIMA modelling for a large class of anomalous diffusion data. (paper)

Tunneling Anomalous and Spin Hall Effects.

Science.gov (United States)

Matos-Abiague, A; Fabian, J

2015-07-31

We predict, theoretically, the existence of the anomalous Hall effect when a tunneling current flows through a tunnel junction in which only one of the electrodes is magnetic. The interfacial spin-orbit coupling present in the barrier region induces a spin-dependent momentum filtering in the directions perpendicular to the tunneling current, resulting in a skew tunneling even in the absence of impurities. This produces an anomalous Hall conductance and spin Hall currents in the nonmagnetic electrode when a bias voltage is applied across the tunneling heterojunction. If the barrier is composed of a noncentrosymmetric material, the anomalous Hall conductance and spin Hall currents become anisotropic with respect to both the magnetization and crystallographic directions, allowing us to separate this interfacial phenomenon from the bulk anomalous and spin Hall contributions. The proposed effect should be useful for proving and quantifying the interfacial spin-orbit fields in metallic and metal-semiconductor systems.

Decoherence and quantum walks: Anomalous diffusion and ballistic tails

International Nuclear Information System (INIS)

Prokof'ev, N. V.; Stamp, P. C. E.

2006-01-01

The common perception is that strong coupling to the environment will always render the evolution of the system density matrix quasiclassical (in fact, diffusive) in the long time limit. We present here a counterexample, in which a particle makes quantum transitions between the sites of a d-dimensional hypercubic lattice while strongly coupled to a bath of two-level systems that 'record' the transitions. The long-time evolution of an initial wave packet is found to be most unusual: the mean square displacement of the particle density matrix shows long-range ballistic behavior, with 2 >∼t 2 , but simultaneously a kind of weakly localized behavior near the origin. This result may have important implications for the design of quantum computing algorithms, since it describes a class of quantum walks

Discrete random walk models for space-time fractional diffusion

International Nuclear Information System (INIS)

Gorenflo, Rudolf; Mainardi, Francesco; Moretti, Daniele; Pagnini, Gianni; Paradisi, Paolo

2002-01-01

A physical-mathematical approach to anomalous diffusion may be based on generalized diffusion equations (containing derivatives of fractional order in space or/and time) and related random walk models. By space-time fractional diffusion equation we mean an evolution equation obtained from the standard linear diffusion equation by replacing the second-order space derivative with a Riesz-Feller derivative of order α is part of (0,2] and skewness θ (moduleθ≤{α,2-α}), and the first-order time derivative with a Caputo derivative of order β is part of (0,1]. Such evolution equation implies for the flux a fractional Fick's law which accounts for spatial and temporal non-locality. The fundamental solution (for the Cauchy problem) of the fractional diffusion equation can be interpreted as a probability density evolving in time of a peculiar self-similar stochastic process that we view as a generalized diffusion process. By adopting appropriate finite-difference schemes of solution, we generate models of random walk discrete in space and time suitable for simulating random variables whose spatial probability density evolves in time according to this fractional diffusion equation

Anomalous dimensionality dependence of diffusion in a rugged energy landscape: How pathological is one dimension?

Science.gov (United States)

Seki, Kazuhiko; Bagchi, Kaushik; Bagchi, Biman

2016-05-01

Diffusion in one dimensional rugged energy landscape (REL) is predicted to be pathologically different (from any higher dimension) with a much larger chance of encountering broken ergodicity [D. L. Stein and C. M. Newman, AIP Conf. Proc. 1479, 620 (2012)]. However, no quantitative study of this difference has been reported, despite the prevalence of multidimensional physical models in the literature (like a high dimensional funnel guiding protein folding/unfolding). Paradoxically, some theoretical studies of these phenomena still employ a one dimensional diffusion description for analytical tractability. We explore the dimensionality dependent diffusion on REL by carrying out an effective medium approximation based analytical calculations and compare them with the available computer simulation results. We find that at an intermediate level of ruggedness (assumed to have a Gaussian distribution), where diffusion is well-defined, the value of the effective diffusion coefficient depends on dimensionality and changes (increases) by several factors (˜5-10) in going from 1d to 2d. In contrast, the changes in subsequent transitions (like 2d to 3d and 3d to 4d and so on) are far more modest, of the order of 10-20% only. When ruggedness is given by random traps with an exponential distribution of barrier heights, the mean square displacement (MSD) is sub-diffusive (a well-known result), but the growth of MSD is described by different exponents in one and higher dimensions. The reason for such strong ruggedness induced retardation in the case of one dimensional REL is discussed. We also discuss the special limiting case of infinite dimension (d = ∞) where the effective medium approximation becomes exact and where theoretical results become simple. We discuss, for the first time, the role of spatial correlation in the landscape on diffusion of a random walker.

Anomalous dispersion enhanced Cerenkov phase-matching

Energy Technology Data Exchange (ETDEWEB)

Kowalczyk, T.C.; Singer, K.D. [Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Physics; Cahill, P.A. [Sandia National Labs., Albuquerque, NM (United States)

1993-11-01

The authors report on a scheme for phase-matching second harmonic generation in polymer waveguides based on the use of anomalous dispersion to optimize Cerenkov phase matching. They have used the theoretical results of Hashizume et al. and Onda and Ito to design an optimum structure for phase-matched conversion. They have found that the use of anomalous dispersion in the design results in a 100-fold enhancement in the calculated conversion efficiency. This technique also overcomes the limitation of anomalous dispersion phase-matching which results from absorption at the second harmonic. Experiments are in progress to demonstrate these results.

Anomalous x-ray radiation of beam plasma

International Nuclear Information System (INIS)

Dimitrov, S.K.; Zavyalov, M.A.; Mikhin, S.G.; Tarasenkov, V.A.; Telkovskij, V.G.; Khrabrov, V.A.

1985-01-01

The properties of non-equilibrium stationary plasma under the conditions of the planned plasma-chemical reactors based on beam-plasma discharge were investigated. The x-ray spectrum of the beam-plasma was measured and anomalous spectral properties were analyzed. Starting with some critical pressure the anomalous radiation was added to the classical bremsstrahlung spectrum. The occurrence of anomalous radiation can be used to diagnose the condition of beam transportation in such systems. (D.Gy.)

Anomalous osmosis resulting from preferential absorption

NARCIS (Netherlands)

Staverman, A.J.; Kruissink, C.A.; Pals, D.T.F.

1965-01-01

An explanation of the anomalous osmosis described in the preceding paper is given in terms of friction coefficients in the glass membrane. It is shown that anomalous osmosis may be expected when the friction coefficients are constant and positive provided that the membrane absorbs solute strongly

Anomalous South Pacific lithosphere dynamics derived from new total sediment thickness estimates off the West Antarctic margin

Science.gov (United States)

Wobbe, Florian; Lindeque, Ansa; Gohl, Karsten

2014-12-01

Paleotopographic models of the West Antarctic margin, which are essential for robust simulations of paleoclimate scenarios, lack information on sediment thickness and geodynamic conditions, resulting in large uncertainties. A new total sediment thickness grid spanning the Ross Sea-Amundsen Sea-Bellingshausen Sea basins is presented and is based on all the available seismic reflection, borehole, and gravity modeling data offshore West Antarctica. This grid was combined with NGDC's global 5 arc minute grid of ocean sediment thickness (Whittaker et al., 2013) and extends the NGDC grid further to the south. Sediment thickness along the West Antarctic margin tends to be 3-4 km larger than previously assumed. The sediment volume in the Bellingshausen, Amundsen, and Ross Sea basins amounts to 3.61, 3.58, and 2.78 million km3, respectively. The residual basement topography of the South Pacific has been revised and the new data show an asymmetric trend over the Pacific-Antarctic Ridge. Values are anomalously high south of the spreading ridge and in the Ross Sea area, where the topography seems to be affected by persistent mantle processes. In contrast, the basement topography offshore Marie Byrd Land cannot be attributed to dynamic topography, but rather to crustal thickening due to intraplate volcanism. Present-day dynamic topography models disagree with the presented revised basement topography of the South Pacific, rendering paleotopographic reconstructions with such a limited dataset still fairly uncertain.

The clinical significance of anomalous origination of right gastric artery in interventional treatment for hepatocellular carcinoma

International Nuclear Information System (INIS)

Lin Zhidong; Wen Chongpei; Fu Kong; Wang Banghao

2010-01-01

Objective: To discuss the clinical significance of anomalous origination of right gastric artery in interventional treatment for hepatocellular carcinoma (HCC). Methods: The dynamic enhanced CT scanning of the liver with a 64-slice spiral CT unit was performed in 72 HCC patients. In arterial phase, maximum intensity projection (MIP) and volume reconstruction technique (VRT) were used to observe the origin of the right gastric artery and its relationship with the hepatic artery. The findings were compared with the angiographic results. Results: Of the total 72 cases, the anomalous origin of the right gastric artery was found in 43 (59.8%). The anomalous origins of the right gastric artery included proper hepatic artery (n=19), left hepatic artery (n=17), gastroduodenal artery (n=4), right hepatic artery (n=2) and common hepatic artery (n=1). The results obtained from three-dimensional reconstruction were in good accordance with angiographic findings. Conclusion: The anomalously originated right gastric artery most commonly originates from the left hepatic artery. Three-dimensional reconstruction obtained from the 64-slice spiral CT scans can provide the clear and reliable images of the right gastric artery, which is very helpful for the interventional procedure. (authors)

Anomalous diffusion of Ga and As from semi-insulating GaAs substrate into MOCVD grown ZnO films as a function of annealing temperature and its effect on charge compensation

Directory of Open Access Journals (Sweden)

Pranab Biswas

2014-05-01

Full Text Available The diffusion behavior of arsenic (As and gallium (Ga atoms from semi-insulating GaAs (SI-GaAs into ZnO films upon post-growth annealing vis-à-vis the resulting charge compensation was investigated with the help of x-ray photoelectron spectroscopy (XPS and secondary ion mass spectroscopy. The films, annealed at 600 ºC and 700 ºC showed p-type conductivity with a hole concentration of 1.1 × 1018 cm−3 and 2.8 × 1019 cm−3 respectively, whereas those annealed at 800 ºC showed n-type conductivity with a carrier concentration of 6.5 × 1016 cm−3. It is observed that at lower temperatures, large fraction of As atoms diffused from the SI-GaAs substrates into ZnO and formed acceptor related complex, (AsZn–2VZn, by substituting Zn atoms (AsZn and thereby creating two zinc vacancies (VZn. Thus as-grown ZnO which was supposed to be n-type due to nonstoichiometric nature showed p-type behavior. On further increasing the annealing temperature to 800 ºC, Ga atoms diffused more than As atoms and substitute Zn atoms thereby forming shallow donor complex, GaZn. Electrons from donor levels then compensate the p-type carriers and the material reverts back to n-type. Thus the conversion of carrier type took place due to charge compensation between the donors and acceptors in ZnO and this compensation is the possible origin of anomalous conduction in wide band gap materials.

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

Science.gov (United States)

Roy, Susmita; Yashonath, Subramanian; Bagchi, Biman

2015-03-28

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

The origin of anomalous transport in porous media - is it possible to make a priori predictions?

Science.gov (United States)

Bijeljic, Branko; Blunt, Martin

2013-04-01

Despite the range of significant applications of flow and solute transport in porous rock, including contaminant migration in subsurface hydrology, geological storage of carbon-dioxide and tracer studies and miscible displacement in oil recovery, even the qualitative behavior in the subsurface is uncertain. The non-Fickian nature of dispersive processes in heterogeneous porous media has been demonstrated experimentally from pore to field scales. However, the exact relationship between structure, velocity field and transport has not been fully understood. Advances in X ray imaging techniques made it possible to accurately describe structure of the pore space, helping predict flow and anomalous transport behaviour using direct simulation. This is demonstrated by simulating solute transport through 3D images of rock samples, with resolutions of a few microns, representing geological media of increasing pore-scale complexity: a sandpack, a sandstone, and a carbonate. A novel methodology is developed that predicts solute transport at the pore scale by using probability density functions of displacement (propagators) and probability density function of transit time between the image voxels, and relates it to probability density function of normalized local velocity. A key advantage is that full information on velocity and solute concentration is retained in the models. The methodology includes solving for Stokes flow by Open Foam, solving for advective transport by the novel streamline simulation method, and superimposing diffusive transport diffusion by the random walk method. It is shown how computed propagators for beadpack, sandstone and carbonate depend on the spread in the velocity distribution. A narrow velocity distribution in the beadpack leads to the least anomalous behaviour where the propagators rapidly become Gaussian; the wider velocity distribution in the sandstone gives rise to a small immobile concentration peak, and a large secondary mobile peak moving

Anomalous magnetoresistance in amorphous metals

International Nuclear Information System (INIS)

Kuz'menko, V.M.; Vladychkin, A.N.; Mel'nikov, V.I.; Sudovtsev, A.I.

1984-01-01

The magnetoresistance of amorphous Bi, Ca, V and Yb films is investigated in fields up to 4 T at low temperatures. For all metals the magnetoresistance is positive, sharply decreases with growth of temperature and depends anomalously on the magnetic field strength. For amorphous superconductors the results agree satisfactorily with the theory of anomalous magnetoresistance in which allowance is made for scattering of electrons by the superconducting fluctuations

Molecular dynamics simulations of the diffusion and coalescence of helium in tungsten

Energy Technology Data Exchange (ETDEWEB)

Zhou, Y.L. [Key Lab for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064 (China); Department of Physics, Guangxi University, Nanning 530004 (China); Wang, J. [Key Lab for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064 (China); Hou, Q., E-mail: qhou@scu.edu.cn [Key Lab for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064 (China); Deng, A.H. [Department of Physics, Sichuan University, Chengdu 610064 (China)

2014-03-15

Molecular dynamics (MD) simulations are performed on the diffusion and coalescence of helium in tungsten. A new method for determining the effective capture radii (ECRs) and the dissociation energies of helium-related defects is proposed in this work. It is observed that the ECR of an interstitial helium atom trapping helium interstitials (denoted as He–He{sub n}, n = 1–3) decreases with increasing temperature, except for He–He{sub 2} at T < 400 K. The traditional view that the ECR is approximately equal to the lattice constant, which has been widely used in kinetic Monte Carlo (KMC) and rate theory (RT) models, is only valid in some cases. However, the ECR between an interstitial helium atom and a substitutional helium atom (denoted as He–HeV) always approximates the third nearest-neighbor tetrahedral positions of the HeV. The diffusion coefficients D{sub n} for helium clusters are also investigated. He{sub 2} migrates more quickly than a single He atom does at T < 400 K, whereas the diffusion path of He{sub 2} changes at higher temperatures. Another counterintuitive observation is that D{sub 5} > D{sub 3} > D{sub 4} at T < 500 K, which can be attributed to the disordered structure of He{sub 5}. The Arrhenius relation describes the diffusion of He{sub n} well in the temperature range from 300 K to 550 K, whereas the diffusion is not a standard thermally activated process at higher temperatures. Taken together, these results help elucidate the initial stage of helium bubble formation in tungsten as well as the requirements of long-term evolution methods such as KMC or RT models.

Hydrogen diffusion and trapping in bcc and fcc metals

International Nuclear Information System (INIS)

Richter, D.

1979-01-01

The fundamental aspects of the metal--hydrogen systems are described. The large number of anomalous properties are the reason for continuous scientific effort. The time scale of hydrogen motion is extremely short. The characteristic frequencies of the localized modes of hydrogen in Ta, Nb, or V are in the order of 10 -14 sec (energies between 0.1 to 0.2 eV); the jump frequencies for H-diffusion at elevated temperatures in those systems are between 10 +12 to 10 +13 sec -1 . They are comparable with the correlation times for diffusion in liquids and more than ten orders of magnitude larger than the jump times for nitrogen in Nb. Out of the large number of experimental data this paper will survey only some recent results on representative fcc and bcc metals for dilute H solutions. The nature of the elementary step in H-diffusion is described. Here the temperature and isotope dependence of the H-diffusion coefficient gives hints to the mechanism involved. The experimental results are discussed in terms of semiclassical and quantum mechanical diffusion theories

Anomalous passage of ultrarelativistic electrons in thick single crystals in axial channeling

International Nuclear Information System (INIS)

Khokonov, M.K.; Telegin, V.I.

1983-01-01

The dynamics of ultrarelativistic axially channeled electrons in thick crystals is studied. It is revealed that a certain fraction of initial electrons have anomalously large dechanneling depths. It is shown also that the dechanneling depth in heavy and light crystals are comparable. In some cases, the number of channeled electrons can strongly increase at the expense of quasi-channeled electrons. The problem of quasichanneling is also considered. (author)

Anomalous passage of ultrarelativistic electrons in thick single crystals in axial channeling

Energy Technology Data Exchange (ETDEWEB)

Khokonov, M.K. (Moskovskij Gosudarstvennyj Univ. (USSR). Nauchno-Issledovatel' skij Inst. Yadernoj Fiziki); Telegin, V.I. (Gosudarstvennyj Komitet po Ispol' zovaniyu Atomnoj Ehnergii SSSR, Moscow. Inst. Atomnoj Ehnergii)

1983-07-01

The dynamics of ultrarelativistic axially channeled electrons in thick crystals is studied. It is revealed that a certain fraction of initial electrons have anomalously large dechanneling depths. It is shown also that the dechanneling depth in heavy and light crystals are comparable. In some cases, the number of channeled electrons can strongly increase at the expense of quasi-channeled electrons. The problem of quasi-channeling is also considered.

Diffusion in the uranium - plutonium system and self-diffusion of plutonium in epsilon phase

International Nuclear Information System (INIS)

Dupuy, M.

1967-07-01

A survey of uranium-plutonium phase diagram leads to confirm anglo-saxon results about the plutonium solubility in α uranium (15 per cent at 565 C) and the uranium one in ζ phase (74 per cent at 565 C). Interdiffusion coefficients, for concentration lower than 15 per cent had been determined in a temperature range from 410 C to 640 C. They vary between 0.2 and 6 10 12 cm 2 s -1 , and the activation energy between 13 and 20 kcal/mole. Grain boundary, diffusion of plutonium in a uranium had been pointed out by micrography, X-ray microanalysis and α autoradiography. Self-diffusion of plutonium in ε phase (bcc) obeys Arrhenius law: D = 2. 10 -2 exp -(18500)/RT. But this activation energy does not follow empirical laws generally accepted for other metals. It has analogies with 'anomalous' bcc metals (βZr, βTi, βHf, U γ ). (author) [fr

Diffusive processes in the cross-field flow of intense plasma beams

International Nuclear Information System (INIS)

Newberger, B.; Rostoker, N.

1988-09-01

We consider magnetic field diffusion in the presence of strongly magnetized electrons (ω/sub ce//tau//sub co/ > 1) as a mechanism for the rapid field penetration observed in cross-field flows of high-β plasma beams. The diffusion has been investigated in several cases which are amenable to analytic solution. The flux penetration times are found to be insensitive to the particular configuration. Comparison with two experiments is made. Agreement within the limits of the experiments is found. Both require an anomalous collision rate which is consistent with observed fluctuations in one case but apparently not the other. 17 refs., 1 fig

Universal Earthquake-Occurrence Jumps, Correlations with Time, and Anomalous Diffusion

International Nuclear Information System (INIS)

Corral, Alvaro

2006-01-01

Spatiotemporal properties of seismicity are investigated for a worldwide (WW) catalog and for southern California in the stationary case (SC), showing a nearly universal scaling behavior. Distributions of distances between consecutive earthquakes (jumps) are magnitude independent and show two power-law regimes, separated by jump values about 200 (WW) and 15 km (SC). Distributions of waiting times conditioned to the value of jumps show that both variables are correlated, in general, but turn out to be independent when only short or long jumps are considered. Finally, diffusion profiles are found to be independent on the magnitude, contrary to what the waiting-time distributions suggest

Dynamics of chaotic maps for modelling the multifractal spectrum of human brain Diffusion Tensor Images

International Nuclear Information System (INIS)

Provata, A.; Katsaloulis, P.; Verganelakis, D.A.

2012-01-01

Highlights: ► Calculation of human brain multifractal spectra. ► Calculations are based on Diffusion Tensor MRI Images. ► Spectra are modelled by coupled Ikeda map dynamics. ► Coupled lattice Ikeda maps model well only positive multifractal spectra. ► Appropriately modified coupled lattice Ikeda maps give correct spectra. - Abstract: The multifractal spectra of 3d Diffusion Tensor Images (DTI) obtained by magnetic resonance imaging of the human brain are studied. They are shown to deviate substantially from artificial brain images with the same white matter intensity. All spectra, obtained from 12 healthy subjects, show common characteristics indicating non-trivial moments of the intensity. To model the spectra the dynamics of the chaotic Ikeda map are used. The DTI multifractal spectra for positive q are best approximated by 3d coupled Ikeda maps in the fully developed chaotic regime. The coupling constants are as small as α = 0.01. These results reflect not only the white tissue non-trivial architectural complexity in the human brain, but also demonstrate the presence and importance of coupling between neuron axons. The architectural complexity is also mirrored by the deviations in the negative q-spectra, where the rare events dominate. To obtain a good agreement in the DTI negative q-spectrum of the brain with the Ikeda dynamics, it is enough to slightly modify the most rare events of the coupled Ikeda distributions. The representation of Diffusion Tensor Images with coupled Ikeda maps is not unique: similar conclusions are drawn when other chaotic maps (Tent, Logistic or Henon maps) are employed in the modelling of the neuron axons network.

Communication: A method to compute the transport coefficient of pure fluids diffusing through planar interfaces from equilibrium molecular dynamics simulations.

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