WorldWideScience

Sample records for anomalous diffusion dynamics

  1. Anomalous Diffusion Near Resonances

    Energy Technology Data Exchange (ETDEWEB)

    Sen, Tanaji; /Fermilab

    2010-05-01

    Synchro-betatron resonances can lead to emittance growth and the loss of luminosity. We consider the detailed dynamics of a bunch near such a low order resonance driven by crossing angles at the collision points. We characterize the nature of diffusion and find that it is anomalous and sub-diffusive. This affects both the shape of the beam distribution and the time scales for growth. Predictions of a simplified anomalous diffusion model are compared with direct simulations. Transport of particles near resonances is still not a well understood phenomenon. Often, without justification, phase space motion is assumed to be a normal diffusion process although at least one case of anomalous diffusion in beam dynamics has been reported [1]. Here we will focus on the motion near synchro-betatron resonances which can be excited by several means, including beams crossing at an angle at the collision points as in the LHC. We will consider low order resonances which couple the horizontal and longitudinal planes, both for simplicity and to observe large effects over short time scales. While the tunes we consider are not practical for a collider, nonetheless the transport mechanisms we uncover are also likely to operate at higher order resonances.

  2. Fractal model of anomalous diffusion.

    Science.gov (United States)

    Gmachowski, Lech

    2015-12-01

    An equation of motion is derived from fractal analysis of the Brownian particle trajectory in which the asymptotic fractal dimension of the trajectory has a required value. The formula makes it possible to calculate the time dependence of the mean square displacement for both short and long periods when the molecule diffuses anomalously. The anomalous diffusion which occurs after long periods is characterized by two variables, the transport coefficient and the anomalous diffusion exponent. An explicit formula is derived for the transport coefficient, which is related to the diffusion constant, as dependent on the Brownian step time, and the anomalous diffusion exponent. The model makes it possible to deduce anomalous diffusion properties from experimental data obtained even for short time periods and to estimate the transport coefficient in systems for which the diffusion behavior has been investigated. The results were confirmed for both sub and super-diffusion.

  3. Fractal model of anomalous diffusion

    OpenAIRE

    Gmachowski, Lech

    2015-01-01

    An equation of motion is derived from fractal analysis of the Brownian particle trajectory in which the asymptotic fractal dimension of the trajectory has a required value. The formula makes it possible to calculate the time dependence of the mean square displacement for both short and long periods when the molecule diffuses anomalously. The anomalous diffusion which occurs after long periods is characterized by two variables, the transport coefficient and the anomalous diffusion exponent. An...

  4. Fractional and fractal dynamics approach to anomalous diffusion in porous media: application to landslide behavior

    Science.gov (United States)

    Martelloni, Gianluca; Bagnoli, Franco

    2016-04-01

    Richardson's treatise on turbulent diffusion in 1926 [24] and today, the list of system displaying anomalous dynamical behavior is quite extensive. We only report some examples: charge carrier transport in amorphous semiconductors [25], porous systems [26], reptation dynamics in polymeric systems [27, 28], transport on fractal geometries [29], the long-time dynamics of DNA sequences [30]. In this scenario, the fractional calculus is used to generalized the Fokker-Planck linear equation -∂P (x,t)=D ∇2P (x,t), ∂t (3) where P (x,t) is the density of probability in the space x=[x1, x2, x3] and time t, while D >0 is the diffusion coefficient. Such processes are characterized by Eq. (1). An example of Eq. (3) generalization is ∂∂tP (x,t)=D∇ αP β(x,t) - ∞ - 1 , (4) where the fractional based-derivatives Laplacian Σ(∂α/∂xα)i, (i = 1, 2, 3), of non-linear term Pβ(x,t) is taken into account [31]. Another generalized form is represented by equation ∂∂tδδP(x,t)=D ∇ αP(x,t) δ > 0 α ≤ 2 , (5) that considers also the fractional time-derivative [32]. These fractional-described processes exhibit a power law patters as expressed by Eq. (2). This general introduction introduces the presented work, whose aim is to develop a theoretical model in order to forecast the triggering and propagation of landslides, using the techniques of fractional calculus. The latter is suitable for modeling the water infiltration (i.e., the pore water pressure diffusion in the soil) and the dynamical processes in the fractal media [33]. Alternatively the fractal representation of temporal and spatial derivative (the fractal order only appears in the denominator of the derivative) is considered and the results are compared to the fractional one. The prediction of landslides and the discovering of the triggering mechanism, is one of the challenging problems in earth science. Landslides can be triggered by different factors but in most cases the trigger is an intense or long rain

  5. Fractional diffusion equations and anomalous diffusion

    CERN Document Server

    Evangelista, Luiz Roberto

    2018-01-01

    Anomalous diffusion has been detected in a wide variety of scenarios, from fractal media, systems with memory, transport processes in porous media, to fluctuations of financial markets, tumour growth, and complex fluids. Providing a contemporary treatment of this process, this book examines the recent literature on anomalous diffusion and covers a rich class of problems in which surface effects are important, offering detailed mathematical tools of usual and fractional calculus for a wide audience of scientists and graduate students in physics, mathematics, chemistry and engineering. Including the basic mathematical tools needed to understand the rules for operating with the fractional derivatives and fractional differential equations, this self-contained text presents the possibility of using fractional diffusion equations with anomalous diffusion phenomena to propose powerful mathematical models for a large variety of fundamental and practical problems in a fast-growing field of research.

  6. Anomalous diffusion without scale invariance

    Energy Technology Data Exchange (ETDEWEB)

    Hanyga, A [Department of Earth Sciences, University of Bergen, Allegaten 41, N5007 Bergen (Norway)

    2007-05-25

    Asymptotic behaviour of a new class of anomalous diffusion equations for subdiffusive transport defined in terms of generalized distributed fractional-order time derivatives is considered. The effect of slowly varying factors on the scaling function of asymptotic solutions is demonstrated. The origin of slowly varying scaling factors in the CTRW models is discussed.

  7. Anomalous diffusion and diffusion anomaly in confined Janus dumbbells.

    Science.gov (United States)

    B Krott, Leandro; Gavazzoni, Cristina; Bordin, José Rafael

    2016-12-28

    Self-assembly and dynamical properties of Janus nanoparticles have been studied by molecular dynamic simulations. The nanoparticles are modeled as dimers and they are confined between two flat parallel plates to simulate a thin film. One monomer from the dumbbells interacts by a standard Lennard-Jones potential and the other by a two-length scales shoulder potential, typically used for anomalous fluids. Here, we study the effects of removing the Brownian effects, typical from colloidal systems immersed in aqueous solution, and consider a molecular system, without the drag force and the random collisions from the Brownian motion. Self-assembly and diffusion anomaly are preserved in relation to the Brownian system. Additionally, a superdiffusive regime associated to a collective reorientation in a highly structured phase is observed. Diffusion anomaly and anomalous diffusion are explained in the two length scale framework.

  8. Anomalous diffusion and diffusion anomaly in confined Janus dumbbells

    Science.gov (United States)

    Krott, Leandro B.; Gavazzoni, Cristina; Bordin, José Rafael

    2016-12-01

    Self-assembly and dynamical properties of Janus nanoparticles have been studied by molecular dynamic simulations. The nanoparticles are modeled as dimers and they are confined between two flat parallel plates to simulate a thin film. One monomer from the dumbbells interacts by a standard Lennard-Jones potential and the other by a two-length scales shoulder potential, typically used for anomalous fluids. Here, we study the effects of removing the Brownian effects, typical from colloidal systems immersed in aqueous solution, and consider a molecular system, without the drag force and the random collisions from the Brownian motion. Self-assembly and diffusion anomaly are preserved in relation to the Brownian system. Additionally, a superdiffusive regime associated to a collective reorientation in a highly structured phase is observed. Diffusion anomaly and anomalous diffusion are explained in the two length scale framework.

  9. 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.

  10. Anomalous water diffusion in salt solutions

    Science.gov (United States)

    Ding, Yun; Hassanali, Ali A.; Parrinello, Michele

    2014-01-01

    The dynamics of water exhibits anomalous behavior in the presence of different electrolytes. Recent experiments [Kim JS, Wu Z, Morrow AR, Yethiraj A, Yethiraj A (2012) J Phys Chem B 116(39):12007–12013] have found that the self-diffusion of water can either be enhanced or suppressed around CsI and NaCl, respectively, relative to that of neat water. Here we show that unlike classical empirical potentials, ab initio molecular dynamics simulations successfully reproduce the qualitative trends observed experimentally. These types of phenomena have often been rationalized in terms of the “structure-making” or “structure-breaking” effects of different ions on the solvent, although the microscopic origins of these features have remained elusive. Rather than disrupting the network in a significant manner, the electrolytes studied here cause rather subtle changes in both structural and dynamical properties of water. In particular, we show that water in the ab initio molecular dynamics simulations is characterized by dynamic heterogeneity, which turns out to be critical in reproducing the experimental trends. PMID:24522111

  11. Anomalous diffusion of fermions in superlattices

    International Nuclear Information System (INIS)

    Drozdz, S.; Okolowicz, J.; Srokowski, T.; Ploszajczak, M.

    1996-03-01

    Diffusion of fermions in the periodic two-dimensional lattice of fermions is studied. It is shown that effects connected with antisymmetrization of the wave function increase chaoticness of motion. Various types of anomalous diffusion, characterized by a power spectral analysis are found. The nonlocality of the Pauli potential destroys cantori in the phase space. Consequently, the diffusion process is dominated by long free paths and the power spectrum is logarithmic at small frequency limit. (author)

  12. Demographic fluctuations in a population of anomalously diffusing individuals.

    Science.gov (United States)

    Olla, Piero

    2012-02-01

    The phenomenon of spatial clustering induced by death and reproduction in a population of anomalously diffusing individuals is studied analytically. The possibility of social behaviors affecting the migration strategies has been taken into exam, in the case that anomalous diffusion is produced by means of a continuous time random walk (CTRW). In the case of independently diffusing individuals, the dynamics appears to coincide with that of (dying and reproducing) Brownian walkers. In the strongly social case, the dynamics coincides with that of nonmigrating individuals. In both limits, the growth rate of the fluctuations becomes independent of the Hurst exponent of the CTRW. The social behaviors that arise when transport in a population is induced by a spatial distribution of random traps have been analyzed. © 2012 American Physical Society

  13. Conformable derivative approach to anomalous diffusion

    Science.gov (United States)

    Zhou, H. W.; Yang, S.; Zhang, S. Q.

    2018-02-01

    By using a new derivative with fractional order, referred to conformable derivative, an alternative representation of the diffusion equation is proposed to improve the modeling of anomalous diffusion. The analytical solutions of the conformable derivative model in terms of Gauss kernel and Error function are presented. The power law of the mean square displacement for the conformable diffusion model is studied invoking the time-dependent Gauss kernel. The parameters related to the conformable derivative model are determined by Levenberg-Marquardt method on the basis of the experimental data of chloride ions transportation in reinforced concrete. The data fitting results showed that the conformable derivative model agrees better with the experimental data than the normal diffusion equation. Furthermore, the potential application of the proposed conformable derivative model of water flow in low-permeability media is discussed.

  14. Fluorescence recovery after photobleaching: the case of anomalous diffusion.

    Science.gov (United States)

    Lubelski, Ariel; Klafter, Joseph

    2008-06-01

    The method of FRAP (fluorescence recovery after photobleaching), which has been broadly used to measure lateral mobility of fluorescent-labeled molecules in cell membranes, is formulated here in terms of continuous time random walks (CTRWs), which offer both analytical expressions and a scheme for numerical simulations. We propose an approach based on the CTRW and the corresponding fractional diffusion equation (FDE) to analyze FRAP results in the presence of anomalous subdiffusion. The FDE generalizes the simple diffusive picture, which has been applied to FRAP when assuming regular diffusion, to account for subdiffusion. We use a subordination relationship between the solutions of the fractional and normal diffusion equations to fit FRAP recovery curves obtained from CTRW simulations, and compare the fits to the commonly used approach based on the simple diffusion equation with a time dependent diffusion coefficient (TDDC). The CTRW and TDDC describe two different dynamical schemes, and although the CTRW formalism appears to be more complicated, it provides a physical description that underlies anomalous lateral diffusion.

  15. Anomalous diffusion and scaling in coupled stochastic processes

    Energy Technology Data Exchange (ETDEWEB)

    Bel, Golan [Los Alamos National Laboratory; Nemenman, Ilya [Los Alamos National Laboratory

    2009-01-01

    Inspired by problems in biochemical kinetics, we study statistical properties of an overdamped Langevin processes with the friction coefficient depending on the state of a similar, unobserved, process. Integrating out the latter, we derive the Pocker-Planck the friction coefficient of the first depends on the state of the second. Integrating out the latter, we derive the Focker-Planck equation for the probability distribution of the former. This has the fonn of diffusion equation with time-dependent diffusion coefficient, resulting in an anomalous diffusion. The diffusion exponent can not be predicted using a simple scaling argument, and anomalous scaling appears as well. The diffusion exponent of the Weiss-Havlin comb model is derived as a special case, and the same exponent holds even for weakly coupled processes. We compare our theoretical predictions with numerical simulations and find an excellent agreement. The findings caution against treating biochemical systems with unobserved dynamical degrees of freedom by means of standandard, diffusive Langevin descritpion.

  16. 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.

  17. Anomalous diffusion in geophysical and laboratory turbulence

    Science.gov (United States)

    Tsinober, A.

    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.

  18. Anomalous diffusion process applied to magnetic resonance image enhancement

    Science.gov (United States)

    Senra Filho, A. C. da S.; Garrido Salmon, C. E.; Murta Junior, L. O.

    2015-03-01

    Diffusion process is widely applied to digital image enhancement both directly introducing diffusion equation as in anisotropic diffusion (AD) filter, and indirectly by convolution as in Gaussian filter. Anomalous diffusion process (ADP), given by a nonlinear relationship in diffusion equation and characterized by an anomalous parameters q, is supposed to be consistent with inhomogeneous media. Although classic diffusion process is widely studied and effective in various image settings, the effectiveness of ADP as an image enhancement is still unknown. In this paper we proposed the anomalous diffusion filters in both isotropic (IAD) and anisotropic (AAD) forms for magnetic resonance imaging (MRI) enhancement. Filters based on discrete implementation of anomalous diffusion were applied to noisy MRI T2w images (brain, chest and abdominal) in order to quantify SNR gains estimating the performance for the proposed anomalous filter when realistic noise is added to those images. Results show that for images containing complex structures, e.g. brain structures, anomalous diffusion presents the highest enhancements when compared to classical diffusion approach. Furthermore, ADP presented a more effective enhancement for images containing Rayleigh and Gaussian noise. Anomalous filters showed an ability to preserve anatomic edges and a SNR improvement of 26% for brain images, compared to classical filter. In addition, AAD and IAD filters showed optimum results for noise distributions that appear on extreme situations on MRI, i.e. in low SNR images with approximate Rayleigh noise distribution, and for high SNR images with Gaussian or non central χ noise distributions. AAD and IAD filter showed the best results for the parametric range 1.2 MRI. This study indicates the proposed anomalous filters as promising approaches in qualitative and quantitative MRI enhancement.

  19. A variable-order fractal derivative model for anomalous diffusion

    Directory of Open Access Journals (Sweden)

    Liu Xiaoting

    2017-01-01

    Full Text Available This paper pays attention to develop a variable-order fractal derivative model for anomalous diffusion. Previous investigations have indicated that the medium structure, fractal dimension or porosity may change with time or space during solute transport processes, results in time or spatial dependent anomalous diffusion phenomena. Hereby, this study makes an attempt to introduce a variable-order fractal derivative diffusion model, in which the index of fractal derivative depends on temporal moment or spatial position, to characterize the above mentioned anomalous diffusion (or transport processes. Compared with other models, the main advantages in description and the physical explanation of new model are explored by numerical simulation. Further discussions on the dissimilitude such as computational efficiency, diffusion behavior and heavy tail phenomena of the new model and variable-order fractional derivative model are also offered.

  20. Estimating the anomalous diffusion exponent for single particle tracking data with measurement errors - An alternative approach.

    Science.gov (United States)

    Burnecki, Krzysztof; Kepten, Eldad; Garini, Yuval; Sikora, Grzegorz; Weron, Aleksander

    2015-06-11

    Accurately characterizing the anomalous diffusion of a tracer particle has become a central issue in biophysics. However, measurement errors raise difficulty in the characterization of single trajectories, which is usually performed through the time-averaged mean square displacement (TAMSD). In this paper, we study a fractionally integrated moving average (FIMA) process as an appropriate model for anomalous diffusion data with measurement errors. We compare FIMA and traditional TAMSD estimators for the anomalous diffusion exponent. The ability of the FIMA framework to characterize dynamics in a wide range of anomalous exponents and noise levels through the simulation of a toy model (fractional Brownian motion disturbed by Gaussian white noise) is discussed. Comparison to the TAMSD technique, shows that FIMA estimation is superior in many scenarios. This is expected to enable new measurement regimes for single particle tracking (SPT) experiments even in the presence of high measurement errors.

  1. Self-similar Gaussian processes for modeling anomalous diffusion

    Science.gov (United States)

    Lim, S. C.; Muniandy, S. V.

    2002-08-01

    We study some Gaussian models for anomalous diffusion, which include the time-rescaled Brownian motion, two types of fractional Brownian motion, and models associated with fractional Brownian motion based on the generalized Langevin equation. Gaussian processes associated with these models satisfy the anomalous diffusion relation which requires the mean-square displacement to vary with tα, 0Brownian motion and time-rescaled Brownian motion all have the same probability distribution function, the Slepian theorem can be used to compare their first passage time distributions, which are different. Finally, in order to model anomalous diffusion with a variable exponent α(t) it is necessary to consider the multifractional extensions of these Gaussian processes.

  2. Boundary conditions of normal and anomalous diffusion from thermal equilibrium.

    Science.gov (United States)

    Korabel, Nickolay; Barkai, Eli

    2011-05-01

    Infiltration of diffusing particles from one material to another, where the diffusion mechanism is either normal or anomalous, is a widely observed phenomenon. Starting with an underlying continuous-time random-walk model, we derive the boundary conditions for the diffusion equations describing this problem. We discuss a simple method showing how the boundary conditions can be determined from equilibrium experiments. When the diffusion processes are close to thermal equilibrium, the boundary conditions are determined by a thermal Boltzmann factor, which in turn controls the solution of the problem.

  3. The anomalous self-diffusion in α-Zr

    International Nuclear Information System (INIS)

    Hood, G.M.

    1985-01-01

    In a very recent publication, Horvath, Dyment and Mehrer, henceforth HDM, presented measurements of the self-diffusion coefficient Dsub(m) 0 for α-Zr as a function of temperature. The results of that study, done on a single crystal sample, were anomalous in the sense that a plot of log Dsub(m) 0 vs. 1/T(K -1 ) was not only non-linear, but exhibited two regions of downward curvature with increasing 1/T. HDM indicated that they were unable to see any explanation of their anomalous self-diffusion results. It is the purpose of this letter to indicate a means whereby these anomalous results may be ''explained'' and to suggest some experiments which might be undertaken to test the proposal. (orig./RK)

  4. 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.

  5. 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.

  6. 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 ...

  7. Parsing anomalous versus normal diffusive behavior of bedload sediment particles

    Science.gov (United States)

    Fathel, Siobhan; Furbish, David; Schmeeckle, Mark

    2016-01-01

    Bedload sediment transport is the basic physical ingredient of river evolution. Formulae exist for estimating transport rates, but the diffusive contribution to the sediment flux, and the associated spreading rate of tracer particles, are not clearly understood. The start-and-stop motions of sediment particles transported as bedload on a streambed mimic aspects of the Einstein–Smoluchowski description of the random-walk motions of Brownian particles. Using this touchstone description, recent work suggests the presence of anomalous diffusion, where the particle spreading rate differs from the linear dependence with time of Brownian behavior. We demonstrate that conventional measures of particle spreading reveal different attributes of bedload particle behavior depending on details of the calculation. When we view particle motions over start-and-stop timescales obtained from high-speed (250 Hz) imaging of coarse-sand particles, high-resolution measurements reveal ballistic-like behavior at the shortest (10−2 s) timescale, followed by apparent anomalous behavior due to correlated random walks in transition to normal diffusion (>10−1 s) – similar to Brownian particle behavior but involving distinctly different physics. However, when treated as a ‘virtual plume’ over this timescale range, particles exhibit inhomogeneous diffusive behavior because both the mean and the variance of particle travel distances increase nonlinearly with increasing travel times, a behavior that is unrelated to anomalous diffusion or to Brownian-like behavior. Our results indicate that care is needed in suggesting anomalous behavior when appealing to conventional measures of diffusion formulated for ideal particle systems.

  8. Electrostatic Turbulence and Anomalous Effects in Reconnection Diffusion Region

    Science.gov (United States)

    Khotyaintsev, Y. V.; Graham, D. B.; Norgren, C.; Vaivads, A.; Li, W.; Divin, A. V.; Andre, M.; Markidis, S.; Lindqvist, P. A.; Peng, I. B.; Argall, M. R.; Ergun, R.; Le Contel, O.; Magnes, W.; Russell, C. T.; Giles, B. L.; Torbert, R. B.; Burch, J. L.

    2017-12-01

    Magnetic reconnection is a fundamental process whereby microscopicplasma processes cause macroscopic changes in magnetic field topology,so that initially separated plasmas become magnetically connected.Waves can produce particle diffusion, and anomalous resistivity, aswell as heat the plasma and accelerate plasma particles, all of whichcan impact ongoing reconnection. We report electrostatic turbulencedeveloping within the diffusion region of asymmetric magnetopausereconnection using observations by the Magnetospheric Multiscalemission and large-scale particle-in-cell simulations, and characterizeanomalous effects and plasma heating within the diffusion region. Ourobservations demonstrate that electrostatic turbulence plays animportant role in the electron-scale physics of asymmetricreconnection.

  9. Characterization of diffusion processes: Normal and anomalous regimes

    Science.gov (United States)

    Alves, Samuel B.; de Oliveira, Gilson F.; de Oliveira, Luimar C.; Passerat de Silans, Thierry; Chevrollier, Martine; Oriá, Marcos; de S. Cavalcante, Hugo L. D.

    2016-04-01

    Many man-made and natural processes involve the diffusion of microscopic particles subject to random or chaotic, random-like movements. Besides the normal diffusion characterized by a Gaussian probability density function, whose variance increases linearly in time, so-called anomalous-diffusion regimes can also take place. They are characterized by a variance growing slower (subdiffusive) or faster (superdiffusive) than normal. In fact, many different underlying processes can lead to anomalous diffusion, with qualitative differences between mechanisms producing subdiffusion and mechanisms resulting in superdiffusion. Thus, a general description, encompassing all three regimes and where the specific mechanisms of each system are not explicit, is desirable. Here, our goal is to present a simple method of data analysis that enables one to characterize a model-less diffusion process from data observation, by observing the temporal evolution of the particle spread. To generate diffusive processes in different regimes, we use a Monte-Carlo routine in which both the step-size and the time-delay of the diffusing particles follow Pareto (inverse-power law) distributions, with either finite or diverging statistical momenta. We discuss on the application of this method to real systems.

  10. 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.

  11. 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

  12. Anomalous quantum diffusion and the topological metal

    Science.gov (United States)

    Tian, Chushun

    2012-09-01

    Electron wave scattering off disorders provides a key to many fascinating transport phenomena recently observed in topological insulators. Here, we present a nonperturbative diagrammatic theory of this subject. Surprisingly, quantum superdiffusion is found on the surface of three-dimensional strong topological insulators regardless of disorder strength (but not vanishing), where the diffusion coefficient grows in time logarithmically. Such a transport anomaly serves as a main characteristic of the novel quantum metal, the so-called “topological metal,” and indicates that it is a hybridization of Ohmic and perfect metals. It washes out the Anderson transition occurring in two-dimensional normal metals with disordered spin-orbit coupling, and leads to a logarithmic divergence of the conductance in the sample size instead. Therefore, the present work provides an analytical proof of the transport anomaly discovered numerically [Nomura, Koshino, and Ryu, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.99.146806 99, 146806 (2007); Bardarson , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.99.106801 99, 106801 (2007)].

  13. Anomalous Momentum Diffusion in the Classical Kicked Rotor

    Science.gov (United States)

    Zheng, Yindong; Kobe, Donald H.

    2004-10-01

    For the classical kicked rotor or standard map we have made a numerical simulation of the momentum diffusion . A plot of ratio of the momentum diffusion rate to K^2/2 as a function of the control parameter K from 0 to 100 is generally well fit by a formula of Meiss, et al.(J.D. Meiss, et al., Physica 6D, 375 (1983).) that includes correlations, but not the effect of accelerator islands. For values of K near maxima in this formula large deviations, called resonances, occur periodically due to accelerator islands. At these values of K the momentum diffusion is anomalous. The anomalous diffusion can be fit by =DN^β, where N is time in units of the kick period. For the resonances, D and β are obtained as functions of K. It is found that β (K) is slightly less than 2 and almost constant and D(K) shows three distinct sections within the regions of K for the fundamental accelerator modes. For values of K not on resonances the momentum diffusion is linear, but not generally at a rate K^2/2.

  14. 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)

  15. Relationship between the anomalous diffusion and the fractal dimension of the environment

    Science.gov (United States)

    Zhokh, Alexey; Trypolskyi, Andrey; Strizhak, Peter

    2018-03-01

    In this letter, we provide an experimental study highlighting a relation between the anomalous diffusion and the fractal dimension of the environment using the methanol anomalous transport through the porous solid pellets with various pores geometries and different chemical compositions. The anomalous diffusion exponent was derived from the non-integer order of the time-fractional diffusion equation that describes the methanol anomalous transport through the solid media. The surface fractal dimension was estimated from the nitrogen adsorption isotherms using the Frenkel-Halsey-Hill method. Our study shows that decreasing the fractal dimension leads to increasing the anomalous diffusion exponent, whereas the anomalous diffusion constant is independent on the fractal dimension. We show that the obtained results are in a good agreement with the anomalous diffusion model on a fractal mesh.

  16. Normal and anomalous diffusion of gravel tracer particles in rivers

    Science.gov (United States)

    Ganti, Vamsi; Meerschaert, Mark M.; Foufoula-Georgiou, Efi; Viparelli, Enrica; Parker, Gary

    2010-06-01

    One way to study the mechanism of gravel bed load transport is to seed the bed with marked gravel tracer particles within a chosen patch and to follow the pattern of migration and dispersal of particles from this patch. In this study, we invoke the probabilistic Exner equation for sediment conservation of bed gravel, formulated in terms of the difference between the rate of entrainment of gravel into motion and the rate of deposition from motion. Assuming an active layer formulation, stochasticity in particle motion is introduced by considering the step length (distance traveled by a particle once entrained until it is deposited) as a random variable. For step lengths with a relatively thin (e.g., exponential) tail, the above formulation leads to the standard advection-diffusion equation for tracer dispersal. However, the complexity of rivers, characterized by a broad distribution of particle sizes and extreme flood events, can give rise to a heavy-tailed distribution of step lengths. This consideration leads to an anomalous advection-diffusion equation involving fractional derivatives. By identifying the probabilistic Exner equation as a forward Kolmogorov equation for the location of a randomly selected tracer particle, a stochastic model describing the temporal evolution of the relative concentrations is developed. The normal and anomalous advection-diffusion equations are revealed as its long-time asymptotic solution. Sample numerical results illustrate the large differences that can arise in predicted tracer concentrations under the normal and anomalous diffusion models. They highlight the need for intensive data collection efforts to aid the selection of the appropriate model in real rivers.

  17. A fractal derivative model for the characterization of anomalous diffusion in magnetic resonance imaging

    Science.gov (United States)

    Liang, Yingjie; Ye, Allen Q.; Chen, Wen; Gatto, Rodolfo G.; Colon-Perez, Luis; Mareci, Thomas H.; Magin, Richard L.

    2016-10-01

    Non-Gaussian (anomalous) diffusion is wide spread in biological tissues where its effects modulate chemical reactions and membrane transport. When viewed using magnetic resonance imaging (MRI), anomalous diffusion is characterized by a persistent or 'long tail' behavior in the decay of the diffusion signal. Recent MRI studies have used the fractional derivative to describe diffusion dynamics in normal and post-mortem tissue by connecting the order of the derivative with changes in tissue composition, structure and complexity. In this study we consider an alternative approach by introducing fractal time and space derivatives into Fick's second law of diffusion. This provides a more natural way to link sub-voxel tissue composition with the observed MRI diffusion signal decay following the application of a diffusion-sensitive pulse sequence. Unlike previous studies using fractional order derivatives, here the fractal derivative order is directly connected to the Hausdorff fractal dimension of the diffusion trajectory. The result is a simpler, computationally faster, and more direct way to incorporate tissue complexity and microstructure into the diffusional dynamics. Furthermore, the results are readily expressed in terms of spectral entropy, which provides a quantitative measure of the overall complexity of the heterogeneous and multi-scale structure of biological tissues. As an example, we apply this new model for the characterization of diffusion in fixed samples of the mouse brain. These results are compared with those obtained using the mono-exponential, the stretched exponential, the fractional derivative, and the diffusion kurtosis models. Overall, we find that the order of the fractal time derivative, the diffusion coefficient, and the spectral entropy are potential biomarkers to differentiate between the microstructure of white and gray matter. In addition, we note that the fractal derivative model has practical advantages over the existing models from the

  18. 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/

  19. Anomalous diffusion and long-range correlations in the score evolution of the game of cricket

    Science.gov (United States)

    Ribeiro, Haroldo V.; Mukherjee, Satyam; Zeng, Xiao Han T.

    2012-08-01

    We investigate the time evolution of the scores of the second most popular sport in the world: the game of cricket. By analyzing, event by event, the scores of more than 2000 matches, we point out that the score dynamics is an anomalous diffusive process. Our analysis reveals that the variance of the process is described by a power-law dependence with a superdiffusive exponent, that the scores are statistically self-similar following a universal Gaussian distribution, and that there are long-range correlations in the score evolution. We employ a generalized Langevin equation with a power-law correlated noise that describes all the empirical findings very well. These observations suggest that competition among agents may be a mechanism leading to anomalous diffusion and long-range correlation.

  20. 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.

  1. A tutorial on inverse problems for anomalous diffusion processes

    Science.gov (United States)

    Jin, Bangti; Rundell, William

    2015-03-01

    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 of

  2. Normal and anomalous diffusion in fluctuations of dust concentration nearby emission source

    Science.gov (United States)

    Szczurek, Andrzej; Maciejewska, Monika; Wyłomańska, Agnieszka; Sikora, Grzegorz; Balcerek, Michał; Teuerle, Marek

    2018-02-01

    Particulate matter (PM) is an important component of air. Nowadays, major attention is payed to fine dust. It has considerable environmental impact, including adverse effect on human health. One of important issues regarding PM is the temporal variation of its concentration. The variation contains information about factors influencing this quantity in time. The work focuses on the character of PM concentration dynamics indoors, in the vicinity of emission source. The objective was to recognize between the homogeneous or heterogeneous dynamics. The goal was achieved by detecting normal and anomalous diffusion in fluctuations of PM concentration. For this purpose we used anomalous diffusion exponent, β which was derived from Mean Square Displacement (MSD) analysis. The information about PM concentration dynamics may be used to design sampling strategy, which serves to attain representative information about PM behavior in time. The data analyzed in this work was collected from single-point PM concentration monitoring in the vicinity of seven emission sources in industrial environment. In majority of cases we observed heterogeneous character of PM concentration dynamics. It confirms the complexity of interactions between the emission sources and indoor environment. This result also votes against simplistic approach to PM concentration measurement indoors, namely their occasional character, short measurement periods and long term averaging.

  3. Structural disorder and anomalous water diffusion in random packing of spheres

    Science.gov (United States)

    Gabrielli, Andrea; Capuani, Silvia; Palombo, Marco; Servedio, Vito D. P.; Ruocco, Giancarlo

    2014-03-01

    Nowadays Nuclear Magnetic Resonance diffusion (dNMR) measurements of water molecules in heterogeneous systems have broad applications in material science, biophysics and medicine. Up to now, microstructural rearrangement in media has been experimentally investigated by studying the diffusion coefficient (D(t)) behavior in the tortuosity limit. However, this method is not able to describe structural disorder and transitions in complex systems. In this talk we show that, according to the continuous time random walk framework, the dNMR measurable parameter α, quantifying the anomalous regime of D(t) , provides a quantitative characterization of structural disorder and structural transition in heterogeneous systems. This is demonstrated by comparing α measurements obtained in random packed monodisperse micro-spheres with Molecular Dynamics simulations of disordered porous media and 3D Monte Carlo simulation of particles diffusion in these kind of systems. Experimental results agree well with simulations that correlate the most used parameters and functions characterizing the disorder in porous media.

  4. Oscillatory variation of anomalous diffusion in pendulum systems

    Indian Academy of Sciences (India)

    The effect of constant bias in the damped version of (2) on homoclinic bifurcation was reported [22]. For small amplitudes of oscillations ..... in porous media, atom on solid surfaces [26], energy and signal in biological systems. [27] and so on. The diffusion dynamics reported in the present work through numerical simulation ...

  5. 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.

  6. 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...

  7. An application of fractional calculus to anomalous diffusion and imaging in inhomogeneous media

    Science.gov (United States)

    Buonocore, Salvatore

    In recent years several studies have shown that field transport phenomena in media with non-homogeneous properties are characterized by unconventional behaviors. These processes, usually denoted as anomalous transport phenomena, are accurately described by fractional order mathematical models, whereas the classical integer order models fail to capture their properties. There are several examples of anomalous diffusion throughout the different fields of physics, such as wave propagation and diffusion processes in viscoelastic and heterogeneous media (e.g. soil, porous materials, etc.) fluid flow in porous media, non classical heat transfer. In particular, the diffusion processes in heterogeneous materials have shown to develop anomalous features characterized by non-local behavior due to the onset of long-range interactions. While integer order transport models are not able to explain these effects, fractional order models have shown to be able to capture these phenomena. The aim of this thesis is to investigate the occurrence of anomalous transport mechanisms associated to wave-like fields propagating in highly scattering media and to diffusive fields propagating in inhomogeneous media. Anomalous diffusion models are applicable to complex and inhomogeneous environments where classical diffusion theory ceases to be valid. Anomalous diffusion shows a nonlinear time dependence for the mean-squared displacement, and predicts stretched exponential decay for the temporal evolution of the system response. These unique characteristics of anomalous diffusion enable to probe complex media, with an approach that is not permitted by classical diffusion imaging. The behavior of the initial wave-like field turning into a diffused one will be governed by a classical or anomalous diffusive mechanism depending on the density of the medium. In this work this conversion phenomenon will be studied via a combination of stochastic molecular and fractional continuum models in order to

  8. 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

  9. 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.

  10. Anomalous diffusion and ion heating in the presence of electrostatic hydrogen cyclotron instabilities

    International Nuclear Information System (INIS)

    Okuda, H.; Cheng, C.Z.; Lee, W.W.

    1980-11-01

    One- and two-dimensional simulations have been carried out to study electrostatic ion cyclotron instabilities for a hydrogen plasma in a strong magnetic field. It is found that strong ion heating and anomalous cross-field diffusion comparable to Bohm diffusion take place associated with the instability. Implications of the instability to the recent observations in fusion devices and space plasmas are discussed

  11. 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

  12. Anomalous self-diffusion in rare earths and actinides

    International Nuclear Information System (INIS)

    Marbach, G.; Boidron, M.; Fromont, M.; Calais, D.

    1977-01-01

    Self-diffusion parameters were measured in Pu, Np, Ce, La, Yt and Gd. In the close packed phases at low temperature and in europium (metal which has a bcc phase only), the diffusion parameters are normal. In the bcc lattices, the diffusion parameters can be interpreted in a simple manner by a mechanism involving very relaxed vacancies or the associated defects of the OMEGA cluster type described by Sanchez and de Fontaine [fr

  13. 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.

  14. 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.

  15. 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

  16. Diffusion of a particle in the spatially correlated exponential random energy landscape: Transition from normal to anomalous diffusion

    Science.gov (United States)

    Novikov, S. V.

    2018-01-01

    Diffusive transport of a particle in a spatially correlated random energy landscape having exponential density of states has been considered. We exactly calculate the diffusivity in the nondispersive quasi-equilibrium transport regime for the 1D transport model and found that for slow decaying correlation functions the diffusivity becomes singular at some particular temperature higher than the temperature of the transition to the true non-equilibrium dispersive transport regime. It means that the diffusion becomes anomalous and does not follow the usual ∝ t1/2 law. In such situation, the fully developed non-equilibrium regime emerges in two stages: first, at some temperature there is the transition from the normal to anomalous diffusion, and then at lower temperature the average velocity for the infinite medium goes to zero, thus indicating the development of the true dispersive regime. Validity of the Einstein relation is discussed for the situation where the diffusivity does exist. We provide also some arguments in favor of conservation of the major features of the new transition scenario in higher dimensions.

  17. Exploring Anomalous Polarization Dynamics in Organometallic Halide Perovskites.

    Science.gov (United States)

    Ahmadi, Mahshid; Collins, Liam; Puretzky, Alexander; Zhang, Jia; Keum, Jong Kahk; Lu, Wei; Ivanov, Ilia; Kalinin, Sergei V; Hu, Bin

    2018-03-01

    Organometallic halide perovskites (OMHPs) have attracted broad attention as prospective materials for optoelectronic applications. Among the many anomalous properties of these materials, of special interest are the ferroelectric properties including both classical and relaxor-like components, as a potential origin of slow dynamics, field enhancement, and anomalous mobilities. Here, ferroelectric properties of the three representative OMHPs are explored, including FAPb x Sn 1- x I 3 (x = 0, x = 0.85) and FA 0.85 MA 0.15 PbI 3 using band excitation piezoresponse force microscopy and contact mode Kelvin probe force microscopy, providing insight into long- and short-range dipole and charge dynamics in these materials and probing ferroelectric density of states. Furthermore, second-harmonic generation in thin films of OMHPs is observed, providing a direct information on the noncentrosymmetric polarization in such materials. Overall, the data provide strong evidence for the presence of ferroelectric domains in these systems; however, the domain dynamics is suppressed by fast ion dynamics. These materials hence present the limit of ferroelectric materials with spontaneous polarization dynamically screened by ionic and electronic carriers. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. 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.

  19. Distinguishing free and anomalous diffusion by rectangular fluorescence recovery after photobleaching: a Monte Carlo study.

    Science.gov (United States)

    De Clercq, Ben; Cleuren, Bart; Deschout, Hendrik; Braeckmans, Kevin; Ameloot, Marcel

    2013-07-01

    Fluorescence recovery after photobleaching (FRAP) is a common technique to probe mobility of fluorescently labeled proteins in biological membranes by monitoring the time-dependence of the spatially integrated fluorescence signals after a bleaching pulse. Discrimination by FRAP between free diffusion with an immobile fraction (FDIM) and the phenomenological model for anomalous diffusion based on the time-dependent diffusion coefficient (TDDC) is a challenging problem, requiring extremely long observation times for differentiation. Recently, rectangular FRAP (rFRAP) has been introduced for normal diffusion by considering not only the temporal but also spatial information, taking the effective point spread function of the optical system into account. In this work we provide an extension of rFRAP toward anomalous diffusion according to the continuous time random walk (CTRW). We explore whether the spatial information in rFRAP allows for enhanced discrimination between FDIM, TDDC, and CTRW in a single experiment within a feasible time window. Simulations indicate that rFRAP can indeed differentiate the different models by evaluating the spatial autocorrelation of the differences between the measured and fitted pixel values. Hence, rFRAP offers a tool that is capable of discriminating different types of diffusion at shorter time scales than in the case where spatial information is discarded.

  20. Random walks exhibiting anomalous diffusion: elephants, urns and the limits of normality

    Science.gov (United States)

    Kearney, Michael J.; Martin, Richard J.

    2018-01-01

    A random walk model is presented which exhibits a transition from standard to anomalous diffusion as a parameter is varied. The model is a variant on the elephant random walk and differs in respect of the treatment of the initial state, which in the present work consists of a given number N of fixed steps. This also links the elephant random walk to other types of history dependent random walk. As well as being amenable to direct analysis, the model is shown to be asymptotically equivalent to a non-linear urn process. This provides fresh insights into the limiting form of the distribution of the walker’s position at large times. Although the distribution is intrinsically non-Gaussian in the anomalous diffusion regime, it gradually reverts to normal form when N is large under quite general conditions.

  1. Anomalous diffusion of an ellipsoid in quasi-2D active fluids

    Science.gov (United States)

    Peng, Yi; Yang, Ou; Tang, Chao; Cheng, Xiang

    Enhanced diffusion of a tracer particle is a unique feature in active fluids. Here, we studied the diffusion of an ellipsoid in a free-standing film of E. coli. Particle diffusion is linearly enhanced at low bacterial concentrations, whereas a non-linear enhancement is observed at high bacterial concentrations due to the giant fluctuation. More importantly, we uncover an anomalous coupling between the translational and rotational degrees of freedom that is strictly prohibited in the classical Brownian diffusion. Combining experiments with theoretical modeling, we show that such an anomaly arises from the stretching flow induced by the force dipole of swimming bacteria. Our work illustrates a novel universal feature of active matter and transforms the understanding of fundamental transport processes in microbiological systems. ACS Petroleum Research Fund #54168-DNI9, NSF Faculty Early Career Development Program, DMR-1452180.

  2. 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.

  3. Thin film growth by 3D multi-particle diffusion limited aggregation model: Anomalous roughening and fractal analysis

    Science.gov (United States)

    Nasehnejad, Maryam; Nabiyouni, G.; Gholipour Shahraki, Mehran

    2018-03-01

    In this study a 3D multi-particle diffusion limited aggregation method is employed to simulate growth of rough surfaces with fractal behavior in electrodeposition process. A deposition model is used in which the radial motion of the particles with probability P, competes with random motions with probability 1 - P. Thin films growth is simulated for different values of probability P (related to the electric field) and thickness of the layer(related to the number of deposited particles). The influence of these parameters on morphology, kinetic of roughening and the fractal dimension of the simulated surfaces has been investigated. The results show that the surface roughness increases with increasing the deposition time and scaling exponents exhibit a complex behavior which is called as anomalous scaling. It seems that in electrodeposition process, radial motion of the particles toward the growing seeds may be an important mechanism leading to anomalous scaling. The results also indicate that the larger values of probability P, results in smoother topography with more densely packed structure. We have suggested a dynamic scaling ansatz for interface width has a function of deposition time, scan length and probability. Two different methods are employed to evaluate the fractal dimension of the simulated surfaces which are "cube counting" and "roughness" methods. The results of both methods show that by increasing the probability P or decreasing the deposition time, the fractal dimension of the simulated surfaces is increased. All gained values for fractal dimensions are close to 2.5 in the diffusion limited aggregation model.

  4. 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 αmotion. 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.

  5. 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.

  6. Study of microparticles' anomalous diffusion in active bath using speckle light fields (Presentation Recording)

    Science.gov (United States)

    Pince, Ercag; Sabareesh, Sabareesh K. P.; Volpe, Giorgio; Gigan, Sylvain; Volpe, Giovanni S.

    2015-08-01

    Particles undergoing a stochastic motion within a disordered medium is a ubiquitous physical and biological phenomenon. Examples can be given from organelles as molecular machines of cells performing physical tasks in a populated cytoplasm to human mobility in patchy environment at larger scales. Our recent results showed that it is possible to use the disordered landscape generated by speckle light fields to perform advanced manipulation tasks at the microscale. Here, we use speckle light fields to study the anomalous diffusion of micron size silica particles (5 μm) in the presence of active microswimmers. The microswimmers we used in the experiments are motile bacteria, Escherichia coli (E.coli). They constitute an active background constantly agitating passive silica particles within complex optical potentials. The speckle fields are generated by mode mixing inside a multimode optical fiber where a small amount of incident laser power (maximum power = 12 μW/μm2) is needed to obtain an effective random landscape pattern for the purpose of optical manipulation. We experimentally show how complex potentials contribute to the anomalous diffusion of silica particles undergoing collisions with swimming bacteria. We observed an enhanced diffusion of particles interacting with the active bath of E.coli inside speckle light fields: this effect can be tuned and controlled by varying the intensity and the statistical properties of the speckle pattern. Potentially, these results could be of interest for many technological applications, such as the manipulation of microparticles inside optically disordered media of biological interests.

  7. Classification of fractional order biomarkers for anomalous diffusion using q-space entropy.

    Science.gov (United States)

    Magin, Richard L; Ingo, Carson; Triplett, William; Colon-Perez, Louis; Mareci, Tom H

    2014-01-01

    In this study, we applied continuous random walk theory (CTRW) to develop a new model that characterizes anomalous diffusion in magnetic resonance imaging experiments. Furthermore, we applied a classification scheme based on information theoretic a techniques to characterize the degree of heterogeneity and complexity in biological tissues. From a CTRW approach, the Fourier transform of the generalized solution to the diffusion equation comes in the form of the Mittag-Leffler function. In this solution form, the relative stochastic uncertainty in the diffusion process can be computed with spectral entropy. We interrogated both white and gray matter regions of a fixed rat brain with diffusion - weighted magnetic resonance imaging experiments up to 26,000 s/mm² by independently weighting q and Δ. to investigate the effects on the diffusion phenomena. Our model fractional order parameters, α and β, and entropy measure, H(q, Δ), differentiated between tissue types and extracted differing information within a region of interest based on the type of diffusion experiment performed. By combining fractional order modeling and information theory, new and powerful biomarkers are available to characterize tissue microstructure and provide contextual information about the anatomical complexity.

  8. Anomalous diffusion and radial electric field generation due to edge plasma turbulence

    Czech Academy of Sciences Publication Activity Database

    Pánek, Radomír; Krlín, Ladislav; Taskhakaya, D.; Kuhn, S.; Stöckel, Jan; Pavlo, Pavol; Tender, M.; Svoboda, Vojtěch; Petržílka, Václav

    2004-01-01

    Roč. 44, 1-3 (2004), s. 203-204 ISSN 0863-1042. [International Workshop on Plasma Edge Theory in Fusion Devices/9th./. San Diego, 03.09.2003-05.09.2003] R&D Projects: GA AV ČR(CZ) IAA1043201; GA ČR GP202/03/P062; GA ČR(CZ) GA202/03/0786 Institutional research plan: CEZ:AV0Z2043910 Keywords : anomalous diffusion * transport * radial electric field Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 0.701, year: 2004

  9. 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

  10. Characterization of Anomalous Diffusion in Porous Biological Tissues Using Fractional Order Derivatives and Entropy.

    Science.gov (United States)

    Magin, Richard L; Ingo, Carson; Colon-Perez, Luis; Triplett, William; Mareci, Thomas H

    2013-09-15

    In this high-resolution magnetic resonance imaging (MRI) study at 17.6 Tesla of a fixed rat brain, we used the continuous time random walk theory (CTRW) for Brownian motion to characterize anomalous diffusion. The complex mesoporus structure of biological tissues (membranes, organelles, and cells) perturbs the motion of the random walker (water molecules in proton MRI) introducing halts between steps (waiting times) and restrictions on step sizes (jump lengths). When such waiting times and jump lengths are scaled with probability distributions that follow simple inverse power laws ( t -(1+α) , | x | -(1+β) ) non-Gaussian motion gives rise to sub- and super- diffusion. In the CTRW approach, the Fourier transform yields a solution to the generalized diffusion equation that can be expressed by the Mittag-Leffler function (MLF), E α (- D α, β | q | β Δ α ). We interrogated both white and gray matter regions in a 1 mm slice of a fixed rat brain (190 μ m in plane resolution) with diffusion weighted MRI experiments using b -values up to 25,000 s / mm 2 , by independently varying q and Δ. When fitting these data to our model, the fractional order parameters, α and β, and the entropy measure, [Formula: see text], were found to provide excellent contrast between white and gray matter and to give results that were sensitive to the type of diffusion experiment performed.

  11. Analytical study on the fractional anomalous diffusion in a half-plane

    Science.gov (United States)

    Li, Xicheng; Chen, Wen

    2010-12-01

    In this study, anomalous diffusion in a half-plane with a constant source and a perfect sink at each half of the boundary is considered. The discontinuity of the boundary condition is erased by decomposing the solution into two parts—a symmetric part and an antisymmetric part. The symmetric part which has been studied extensively can be solved by an integral transform method, Green's function method or others. To obtain the solution of the antisymmetric part, a separable similarity solution is assumed and the Erdélyi-Kober-type fractional derivative is used. By doing so, the partial differential equation reduces to an ordinary one. Using the Mellin transform method, the solution of the antisymmetric part in terms of a Fox-H function is obtained. Some figures are given to show the characters of the diffusion process and the influences of different orders of fractional derivatives.

  12. Analytical study on the fractional anomalous diffusion in a half-plane

    International Nuclear Information System (INIS)

    Li Xicheng; Chen Wen

    2010-01-01

    In this study, anomalous diffusion in a half-plane with a constant source and a perfect sink at each half of the boundary is considered. The discontinuity of the boundary condition is erased by decomposing the solution into two parts-a symmetric part and an antisymmetric part. The symmetric part which has been studied extensively can be solved by an integral transform method, Green's function method or others. To obtain the solution of the antisymmetric part, a separable similarity solution is assumed and the Erdelyi-Kober-type fractional derivative is used. By doing so, the partial differential equation reduces to an ordinary one. Using the Mellin transform method, the solution of the antisymmetric part in terms of a Fox-H function is obtained. Some figures are given to show the characters of the diffusion process and the influences of different orders of fractional derivatives.

  13. 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

  14. An anomalous non-self-similar infiltration and fractional diffusion equation

    Science.gov (United States)

    Gerasimov, D. N.; Kondratieva, V. A.; Sinkevich, O. A.

    2010-08-01

    Problems of anomalous infiltration in porous media are considered. As follows from the analysis of experimental data, modification of the infiltration equation is necessary. A fractional diffusion equation with variable order of the time-derivative operator for describing the liquid infiltration in porous media is proposed. The physical meaning of this fractional equation is explained. This equation provides good agreement with existing experimental data for both the subdiffusion and the superdiffusion. The treatment of experimental data for the absorption of water in a fired-clay brick and for water infiltration in cement mortar using this fractional equation of diffusion is presented. Various formulae, which can be useful for applications, have been developed.

  15. 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)

  16. 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

  17. 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

  18. 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 lattice dynamics, inelastic neutron scattering, inelastic x-ray scattering and synchrotron x-ray diffraction. Here we 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 O8 , HfW 2 O 8 , ZrMO 2 O 8 , 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. The thermal expansion as derived from the phonon measurements is in good agreement with that obtained from diffraction data. This indicates 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 and LiMPO 4 (M=Fe, Mn) have applications in energy storage, conversion and nuclear industry. Fast ion conductors exhibit high ionic conductivity, which allow macroscopic movement of ions through their structure. The possible role of phonon in initiation of diffusion has been studied in Li 2 O and LiMPO 4 (M=Fe, Mn). The simulations play a pivotal role in understanding the conduction processes at high temperatures in these compounds. (author)

  19. Anomalous diffusion and multifractional Brownian motion: simulating molecular crowding and physical obstacles in systems biology.

    Science.gov (United States)

    Marquez-Lago, T T; Leier, A; Burrage, K

    2012-08-01

    There have been many recent studies from both experimental and simulation perspectives in order to understand the effects of spatial crowding in molecular biology. These effects manifest themselves in protein organisation on the plasma membrane, on chemical signalling within the cell and in gene regulation. Simulations are usually done with lattice- or meshless-based random walks but insights can also be gained through the computation of the underlying probability density functions of these stochastic processes. Until recently much of the focus had been on continuous time random walks, but some very recent work has suggested that fractional Brownian motion may be a good descriptor of spatial crowding effects in some cases. The study compares both fractional Brownian motion and continuous time random walks and highlights how well they can represent different types of spatial crowding and physical obstacles. Simulated spatial data, mimicking experimental data, was first generated by using the package Smoldyn. We then attempted to characterise this data through continuous time anomalously diffusing random walks and multifractional Brownian motion (MFBM) by obtaining MFBM paths that match the statistical properties of our sample data. Although diffusion around immovable obstacles can be reasonably characterised by a single Hurst exponent, we find that diffusion in a crowded environment seems to exhibit multifractional properties in the form of a different short- and long-time behaviour.

  20. Static and dynamic contributions to anomalous chain dynamics in polymer blends

    Science.gov (United States)

    Bernabei, Marco; Moreno, Angel J.; Colmenero, J.

    2011-06-01

    By means of computer simulations, we investigate the relaxation of the Rouse modes in a simple bead-spring model for non-entangled polymer blends. Two different models are used for the fast component, namely fully flexible and semiflexible chains. The latter, which incorporate intramolecular barriers with bending and torsion terms, are semiflexible in the sense that static intrachain correlations are strongly non-Gaussian at all length scales. The dynamic asymmetry in the blend is strongly enhanced with decreasing temperature, inducing confinement effects on the fast component. The dynamics of the Rouse modes show very different trends for the two models of the fast component. For the fully flexible case, the relaxation times exhibit a progressive deviation from Rouse scaling on increasing the dynamic asymmetry. This anomalous effect has a dynamic origin. It is not related to particular static features of the Rouse modes, which indeed are identical to those of the fully flexible homopolymer, and are not modified by the dynamic asymmetry in the blend. On the contrary, in the semiflexible case the relaxation times approximately exhibit the same scaling behaviour as the amplitudes of the modes. This suggests that the origin of the anomalous dynamic scaling for semiflexible chains confined in the blend is essentially of static nature. We discuss the implications of these observations for the applicability of theoretical approaches to chain dynamics in polymer blends.

  1. Universality in edge-source diffusion dynamics

    DEFF Research Database (Denmark)

    Mortensen, Asger; Okkels, Fridolin; Bruus, Henrik

    2006-01-01

    We show that in edge-source diffusion dynamics the integrated concentration N(t) has a universal dependence with a characteristic time scale tau=(A/P)(2)pi/(4D), where D is the diffusion constant while A and P are the cross-sectional area and perimeter of the domain, respectively. For the short...

  2. Bed load transport for a mixture of particle sizes: Downstream sorting rather than anomalous diffusion

    Science.gov (United States)

    Fan, Niannian; Xie, Yushu; Nie, Ruihua

    2017-10-01

    The stochastic nature of bed load transport induces diffusion of sediment tracers, which is governed by the dynamics of their bulk behavior over time. By deploying both numerical simulations and flume experiments, the emergent particle diffusion regimes for both uniform and mixed tracer particles were studied and compared. For uniform particles, power-law-distributed resting times Tr produced super-, sub- or normal diffusion regimes for certain values of the tail exponent ν . Based on the assumption that heterogeneity in particle size leads to a power-law distribution of Tr , a completely different diffusion regime emerges in mixtures compared with those obtained from uniform particles with the same value of the tail exponent ν . Mixtures exhibited the same ballistic regime (the variance of travel distance grows as time squared) for different values of ν , and ballistic regimes for mixtures also emerged from several other tested models. Furthermore, our experimental results confirmed the ballistic regime; however, the decreasing number of tracked particles may result in apparent but deceptive sub-diffusion. We conclude that ballistic regimes for mixtures result from violations of the independent and identically distributed (i.i.d.) assumptions, attributing to downstream sorting processes.

  3. THE DIFFUSE INTERSTELLAR BANDS AND ANOMALOUS MICROWAVE EMISSION MAY ORIGINATE FROM THE SAME CARRIERS

    Energy Technology Data Exchange (ETDEWEB)

    Bernstein, L. S.; Cline, J. A. [Spectral Sciences, Inc., 4 Fourth Avenue, Burlington, MA 01803 (United States); Clark, F. O. [Wopeco Research 125 South Great Road, Lincoln, MA 01773 (United States); Lynch, D. K., E-mail: larry@spectral.com, E-mail: jcline@spectral.com, E-mail: frank.clark@gmail.com, E-mail: dave@thulescientific.com [Thule Scientific, P.O. Box 953, Topanga, CA 90290 (United States)

    2015-11-10

    We argue that the observed spectroscopic and statistical properties of the diffuse interstellar band (DIB) carriers are those that are needed to produce the anomalous microwave emission (AME). We explore this idea using a carrier-impartial model for AME based on the observed DIB statistical properties. We show that an observed distribution of profile widths for narrow DIBs can be mapped into an AME spectrum. The mapping model is applied to width distributions observed for HD 204827 and HD 183143, selected because their spectroscopic and statistical properties bracket those for most other sight lines. The predicted AME spectra for these sight lines agree well with the range of spectral shapes, and peak frequencies, ∼23–31 GHz, typically observed for AME. We use the AME spectral profiles to derive a strong constraint between the average carrier size and its rotational temperature. The constraint is applied to a variety of postulated molecular carrier classes, including polycyclic aromatic hydrocarbons, fulleranes, hydrocarbon chains, and amorphous hydrocarbon clusters. The constraint favors small, cold carriers with average sizes of ∼8–15 carbon atoms, and average rotational temperatures of ∼3–10 K, depending on carrier type. We suggest new observations, analyses, and modeling efforts to help resolve the ambiguities with regard to carrier size and class, and to further clarify the DIB–AME relationship.

  4. 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

  5. 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.

  6. Anomalous Metapopulation Dynamics on Scale-Free Networks

    Science.gov (United States)

    Fedotov, Sergei; Stage, Helena

    2017-03-01

    We model transport of individuals across a heterogeneous scale-free network where a few weakly connected nodes exhibit heavy-tailed residence times. Using the empirical law of the axiom of cumulative inertia and fractional analysis, we show that "anomalous cumulative inertia" overpowers highly connected nodes in attracting network individuals. This fundamentally challenges the classical result that individuals tend to accumulate in high-order nodes. The derived residence time distribution has a nontrivial U shape which we encounter empirically across human residence and employment times.

  7. 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)

  8. Anomalous scaling of Cu-island dynamics on Ag(100)

    Energy Technology Data Exchange (ETDEWEB)

    Zaum, Christopher; Morgenstern, Karina [Institut fuer Festkoerperphysik, Gottfried Wilhelm Leibniz Universitaet, Appelstr. 2, D-30167 Hannover (Germany)

    2008-07-01

    We deposited Cu-islands containing 10 to 500 atoms on a clean Ag(100) surface at room temperature and investigated diffusion and decay of these islands with a fast scanning tunneling microscope. Islands at sizes above 80 atoms per island are adsorbed in hollow-sites. Islands at sizes below 80 atoms per island are adsorbed in bridge-sites. Diffusion and decay behavior of the hollow-site islands is similar to the behavior of both Ag-islands on Ag(100) and Cu-islands on Cu(100). In contrast, the diffusivity and the decay time of the bridge-site islands are significantly higher than any previously measured values. This indicates a novel mechanism of diffusion.

  9. 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

  10. The impact of local diffusion on longitudinal macrodispersivity and its major effect upon anomalous transport in highly heterogeneous aquifers

    Science.gov (United States)

    Janković, Igor; Fiori, Aldo; Dagan, Gedeon

    2009-05-01

    Flow and transport are solved for a heterogeneous medium modeled as an ensemble of spherical inclusions of uniform radius R and of conductivities K, drawn from a pdf f(K) ( Fig. 1). This can be regarded as a particular discretization scheme, allowing for accurate numerical and semi-analytical solutions, for any given univariate f(Y)(Y=lnK) and integral scale IY. The transport is quantified by the longitudinal equivalent macrodispersivity α, for uniform mean flow of velocity U and for a large (ergodic) plume of a conservative solute injected in a vertical plane ( x=0) and moving past a control plane at x≫IY. In the past we have solved transport for advection solely for highly heterogeneous media of σY2⩽8. We have found that α increases in a strong nonlinear fashion with σY2 and transport becomes anomalous for the subordinate model. This effect is explained by the large residence time of solute particles in inclusions of low K. In the present work we examine the impact of local diffusion as quantified by the Peclet number Pe=UIY/D0, where D0 is the coefficient of molecular diffusion. Transport with diffusion is solved by accurate numerical simulations for flow past spheres of low K and for high Pe=O(102-104). It was found that finite Pe reduces significantly α as compared to advection, for σY2≳3(Pe=1000) and for σY2≳1.4(Pe=100), justifying neglection of the effect of diffusion for weak to moderately heterogeneous aquifers (e.g. σY2⩽1). In contrast, diffusion impacts considerably α for large σY2 due to the removal of solute from low K inclusions. Furthermore, anomalous behavior is eliminated, though α may be still large for Pe≫1.

  11. Diffusive dynamics of nanoparticles in aqueous dispersions

    KAUST Repository

    He, Kai

    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.

  12. Phase space volume scaling of generalized entropies and anomalous diffusion scaling governed by corresponding non-linear Fokker-Planck equations.

    Science.gov (United States)

    Czégel, Dániel; Balogh, Sámuel G; Pollner, Péter; Palla, Gergely

    2018-01-30

    Many physical, biological or social systems are governed by history-dependent dynamics or are composed of strongly interacting units, showing an extreme diversity of microscopic behaviour. Macroscopically, however, they can be efficiently modeled by generalizing concepts of the theory of Markovian, ergodic and weakly interacting stochastic processes. In this paper, we model stochastic processes by a family of generalized Fokker-Planck equations whose stationary solutions are equivalent to the maximum entropy distributions according to generalized entropies. We show that at asymptotically large times and volumes, the scaling exponent of the anomalous diffusion process described by the generalized Fokker-Planck equation and the phase space volume scaling exponent of the generalized entropy bijectively determine each other via a simple algebraic relation. This implies that these basic measures characterizing the transient and the stationary behaviour of the processes provide the same information regarding the asymptotic regime, and consequently, the classification of the processes given by these two exponents coincide.

  13. On the origin of the anomalous ultraslow solvation dynamics in ...

    Indian Academy of Sciences (India)

    The first one involves the motion of the `buried water' molecules (both translation and rotation), accompanied by cooperative relaxation ('local melting') of several surfactant chains. An estimate of the time is obtained by using an effective Rouse chain model of chain dynamics, coupled with a mean first passage time ...

  14. On the origin of the anomalous ultraslow solvation dynamics in ...

    Indian Academy of Sciences (India)

    TECS

    Abstract. Many recent experimental studies have reported a surprising ultraslow component (even. >10 ns) in the solvation dynamics of a polar probe in an organized assembly, the origin of which is not understood at present. Here we propose two molecular mechanisms in explanation. The first one involves the motion of ...

  15. Diffusion dynamics in microfluidic 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...

  16. Dynamics of three anomalous SST events in the Coral Sea

    Science.gov (United States)

    Schiller, A.; Ridgway, K. R.; Steinberg, C. R.; Oke, P. R.

    2009-03-01

    Variability of the circulation in the Coral Sea, accompanied by large heat transport anomalies, has the potential to have detrimental impacts on underlying ecosystems, including the Great Barrier Reef. In this study we analyze the dynamics of three events, characterized by extremes in sea-surface temperature, as simulated in an eddy-resolving ocean reanalysis. We show that a cooling in April 1997 results from strong wind anomalies and is supported by vertical and horizontal advective heat losses. A warm event in October 1998 is attributable to a heat gain by horizontal advection. A heat budget of the mixed-layer within a closed box shows that warm anomalies in January 2002 involve a quasi-balance between horizontal advection and vertical entrainment with a large local heat gain through the ocean surface near-shore that apparently caused a coral bleaching event. The dynamics of these extreme events are all quite different, with both local and remote influences.

  17. Macromolecular Diffusion in Dynamic Polymer Nanocomposite

    Science.gov (United States)

    Lin, Chia-Chun; Cargnello, Matteo; Clarke, Nigel; Winey, Karen; Composto, Russell

    2015-03-01

    We consider diffusion of tracer polymers in the presence of mobile nanoparticles in polymer nanocomposites (PNCs). These nanoparticles are mobile on the time scale of polymer diffusion and have dimensions less than the entanglement mesh size (i.e., tube diameter). The PNC consists of titanium dioxide nanorods (NR, diameter=4.5nm; length=30.1nm) grafted with phenyl groups uniformly dispersed in a polystyrene (P=650kg/mol; tube diameter=8nm) matrix up to 10 volume percent. Three deuterated polystyrenes (dPS; M=800, 1800 and 3200 kg/mol) are chosen because their diffusion relative to NR allows for investigating fixed and mobile NR by simply changing M. For all M, the reduced tracer diffusivities are observed to decrease monotonically as NR loading increases. However, the reduced diffusivity of dPS (3200 kg/mol) is faster than expected compared to the fixed NR case. These findings suggest that mobile NR do not effectively slow down tracer diffusion relative to fixed particles. To test this hypothesis, dPS diffusion is investigated in a high molecular weight matrix PS (2000 kg/mol) in order to slow down NR diffusion relative to dPS (3200 kg/mol). New models are needed to incorporate these mobility dependent entanglements into a comprehensive understanding of dynamics in PNCs. Primary fundings: NSF/EPSRC Materials World Network DMR-1210379 (KIW, RJC) and EP/5065373/1 (NC). Support also by the NSF/MRSEC-DMR 11-20901, and Polymer Programs DMR 09-07493.

  18. The complex fluid dynamics of simple diffusion

    Science.gov (United States)

    Vold, Erik

    2017-11-01

    Diffusion as the mass transport process responsible for mixing fluids at the atomic level is often underestimated in its complexity. An initial discontinuity between two species of different atomic masses exhibits a mass density discontinuity under isothermal pressure equilibrium implying equal species molar densities. The self-consistent kinetic transport processes across such an interface leads to a zero sum of mass flux relative to the center of mass and so diffusion alone cannot relax an initially stationary mass discontinuity nor broaden the density profile at the interface. The diffusive mixing leads to a molar imbalance which drives a center of mass velocity which moves the heavier species toward the lighter species leading to the interfacial density relaxation. Simultaneously, the species non-zero molar flux modifies the pressure profile in a transient wave and in a local perturbation. The resulting center of mass velocity has two components; one, associated with the divergence of the flow, persists in the diffusive mixing region throughout the diffusive mixing process, and two, travelling waves at the front of the pressure perturbations propagate away from the mixing region. The momentum in these waves is necessary to maintain momentum conservation in the center of mass frame. Thus, in a number of ways, the diffusive mixing provides feedback into the small scale advective motions. Numerical methods which diffuse all species assuming P-T equilibrium may not recover the subtle dynamics of mass transport at an interface. Work performed by the LANS, LLC, under USDOE Contract No. DE-AC52-06NA25396, funded by the (ASC) Program.

  19. Anomalous weak boson couplings suggestions from unitarity and dynamics

    CERN Document Server

    Gounaris, G.J.; Tsirigoti, G.; Gounaris, G J; Renard, F M; Tsirigoti, G

    1995-01-01

    Taking into account the constraints from LEP1 and lower energy experiments, we identify the seven SU(2)\\times U(1) gauge invariant purely bosonic dim=6 operators which provide a quite general description of how New Physics could reflect in the bosonic world, if it happens that all new degrees of freedom are too heavy to be directly produced in the future colliders. Five of these operators are CP conserving and the remaining ones are CP violating. We derive the unitarity constraints for the CP violating operators and compare them with the already known constraints for the CP conserving ones. Dynamical renormalizable models are also presented, which partly elucidate what the appearance of each of these operators can teach us on the mechanism of spontaneous gauge symmetry breaking.

  20. Diffuse-dynamic multiparameter diffractometry: A review

    International Nuclear Information System (INIS)

    Molodkin, V. B.; Shpak, A. P.; Kovalchuk, M. V.; Nosik, V. L.; Machulin, V. F.

    2010-01-01

    The results reported at the Conference on Application of X-Rays, Synchrotron Radiation, Neutrons, and Electrons in Nano-, Bio-, Information-, and Cognitive Technologies (RSNE-NBIC 2009) are briefly reviewed. This review is based on a cycle of studies [1-6] where a new method for studying the structure of real crystals-diffuse-dynamic multiparameter diffractometry (DDMD)-was proposed and substantiated.

  1. 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)

  2. 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

  3. 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...

  4. 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....

  5. 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.

  6. Life and Death of Stationary Linear Response in Anomalous Continuous Time Random Walk Dynamics

    Science.gov (United States)

    Igor, Goychuk

    2014-10-01

    Linear theory of stationary response in systems at thermal equilibrium requires to find equilibrium correlation function of unperturbed responding system. Studies of the response of the systems exhibiting anomalously slow dynamics are often based on the continuous time random walk description (CTRW) with divergent mean waiting times. The bulk of the literature on anomalous response contains linear response functions like one by Cole-Cole calculated from such a CTRW theory and applied to systems at thermal equilibrium. Here we show within a fairly simple and general model that for the systems with divergent mean waiting times the stationary response at thermal equilibrium is absent, in accordance with some recent studies. The absence of such stationary response (or dying to zero non-stationary response in aging experiments) would confirm CTRW with divergent mean waiting times as underlying physical relaxation mechanism, but reject it otherwise. We show that the absence of stationary response is closely related to the breaking of ergodicity of the corresponding dynamical variable. As an important new result, we derive a generalized Cole-Cole response within ergodic CTRW dynamics with finite waiting time. Moreover, we provide a physically reasonable explanation of the origin and wide presence of 1/f noise in condensed matter for ergodic dynamics close to normal, rather than strongly deviating.

  7. Galactic civilizations - Population dynamics and interstellar diffusion

    Science.gov (United States)

    Newman, W. I.; Sagan, C.

    1981-01-01

    A model is developed of the interstellar diffusion of galactic civilizations which takes into account the population dynamics of such civilizations. The problem is formulated in terms of potential theory, with a family of nonlinear partial differential and difference equations specifying population growth and diffusion for an organism with advantageous genes that undergoes random dispersal while increasing in population locally, and a population at zero population growth. In the case of nonlinear diffusion with growth and saturation, it is found that the colonization wavefront from the nearest independently arisen galactic civilization can have reached the earth only if its lifetime exceeds 2.6 million years, or 20 million years if discretization can be neglected. For zero population growth, the corresponding lifetime is 13 billion years. It is concluded that the earth is uncolonized not because interstellar spacefaring civilizations are rare, but because there are too many worlds to be colonized in the plausible colonization lifetime of nearby civilizations, and that there exist no very old galactic civilizations with a consistent policy of the conquest of inhabited worlds.

  8. Large Amplitude Electrostatic Waves and Anomalous Resistivity Near the Electron Diffusion Region

    Science.gov (United States)

    Webster, J.; Burch, J. L.; Reiff, P. H.; Genestreti, K.; Dorelli, J.; Rager, A. C.; Daou, A.; Sazykin, S. Y.; Marshall, A.; Graham, D. B.; Chen, L. J.; Wang, S.

    2017-12-01

    NASA's Magnetospheric Multiscale (MMS) mission explores the electron-scale physics of magnetic reconnection. During the asymmetric reconnection process at the dayside magnetopause, MMS has repeatedly observed electrostatic waves with amplitudes significantly larger than those predicted by particle-in-cell (PIC) simulations. We fit Maxwellian distributions to each spacecraft's measured particle data and employ an established model (Waves in Homogenous Anisotropic Magnetized Plasma, or "WHAMP") in an effort to study possible temporal evolutions of the predicted dispersion relations for several short durations of time. A comparison between the dispersion relation and the recorded waves is provided, along with a polarization analysis. We utilize both standard resolution (30 ms) electron moments data and newly available 7.5 ms electron moments data. An Ohm's Law analysis is also conducted to check for possible evidence of significant anomalous resistivity simultaneous with the large amplitude electrostatic waves.

  9. 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

  10. General fractional calculus in non-singular power-law kernel applied to model anomalous diffusion phenomena in heat transfer problems

    Directory of Open Access Journals (Sweden)

    Gao Feng

    2017-01-01

    Full Text Available In this paper we address the general fractional calculus of Liouville-Weyl and Liouville-Caputo general fractional derivative types with non-singular power-law kernel for the first time. The Fourier transforms and the anomalous diffusions are discussed in detail. The formulations are adopted to describe complex phenomena of the heat transfer problems.

  11. 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

  12. 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)

  13. 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

  14. 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

  15. 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

    Tenerife (2034 km2) is the largest of the Canary Islands and hosts four main active volcanic edifices: three volcanic rifts and a central volcanic complex, Las Cañadas, which is characterized by the eruption of differentiated magmas. Laying inside Las Cañadas a twin stratovolcanoes system, Pico Viejo and Teide, has been developed. Although there are no visible gas emanations along the volcanic rifts of Tenerife, the existence of a volcanic-hydrothermal system beneath Teide volcano is suggested by the occurrence of a weak fumarolic system, steamy ground and high rates of diffuse CO2 degassing all around the summit cone of Teide. Soil CO2 efflux surveys have been performed at the summit crater of Teide volcano since 1999, to determine the diffuse CO2 emission from the summit crater and to evaluate the temporal variations of CO2 efflux and their relationships with seismic-volcanic activity. Soil CO2 efflux and soil temperature have been always measured at the same 38 observation sites homogeneously distributed within an area of about 6,972 m2 inside the summit crater. Soil CO2 diffuse effluxes were estimated according to the accumulation chamber method by means of a non-dispersive infrared (NDIR) LICOR-820 CO2 analyzer. Historical seismic activity in Tenerife has been characterized by low- to moderate-magnitude events (M 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.

  16. Testing the association between anomalous microwave emission and PAHs in the diffuse ISM

    Science.gov (United States)

    Berkeley, Matthew R.; Chuss, David; Kogut, Al

    2018-01-01

    Testing cosmic inflation is currently a primary focus of the Cosmology community. In order to verify the theory and to determine the energy scale of inflation, it is necessary to identify the characteristic B-mode polarization signal in the CMB. This signal, predicted by inflation theory, is expected to be very faint. It is therefore important to accurately characterize and remove foreground polarization components such as thermal dust and synchrotron emission.Some of these components have already been accurately characterized, but there are others that are not so well understood. In 1996, a new galactic foreground emission component was discovered. Dubbed 'anomalous microwave emission' (AME), this new foreground has yet to be identified. Though its physical origin remains uncertain, the leading hypothesis for the origin of this foreground proposes that the emission comes from rapidly rotating small dust grains called Polycyclic Aromatic Hydrocarbons (PAHs), or 'spinning dust'. PAHs are a family of hydrocarbon molecules with characteristic bending and stretching modes that have identifiable emission spectra in the mid-infrared region. The Wide-field Infrared Survey Explorer (WISE) is a satellite that was launched in 2010 into a polar orbit, enabling it to take images of the entire sky at four different mid-infrared wavelengths. These wavelengths cover the spectral region with the aforementioned PAH emission features in the mid-infrared. WISE archival data therefore makes it possible to construct a full-sky map of PAH emission.We present full sky maps using WISE data as a preliminary result towards creating a full sky PAH map.

  17. Anomalous diffusion, clustering, and pinch of impurities in plasma edge turbulence

    DEFF Research Database (Denmark)

    Priego, M.; Garcia, O.E.; Naulin, V.

    2005-01-01

    The turbulent transport of impurity particles in plasma edge turbulence is investigated. The impurities are modeled as a passive fluid advected by the electric and polarization drifts, while the ambient plasma turbulence is modeled using the two-dimensional Hasegawa-Wakatani paradigm for resistive......-diffusion analysis of the evolution of impurity puffs. Additional effects appear for inertial impurities as a consequence of compressibility. First, the density of inertial impurities is found to correlate with the vorticity of the electric drift velocity, that is, impurities cluster in vortices of a precise...

  18. Anomalous diffusion of a probe in a bath of active granular chains

    Science.gov (United States)

    Jerez, Michael Jade Y.; Confesor, Mark Nolan P.; Carpio-Bernido, M. Victoria; Bernido, Christopher C.

    2017-08-01

    We investigate the dynamics of a passive probe particle in a bath of active granular chains (AGC). The bath and the probe are enclosed in an experimental compartment with a sinusoidal boundary to prevent AGC congestion along the boundary while connected to an electrodynamic shaker. Single AGC trajectory analysis reveals a persistent type of motion compared to a purely Brownian motion as seen in its mean squared displacement (MSD). It was found that at small concentration, Φ ≤ 0.44, the MSD exhibits two dynamical regimes characterized by two different scaling exponents. For small time scales, the dynamics is superdiffusive (1.32-1.63) with the MSD scaling exponent increasing monotonically with increasing AGC concentration. On the other hand, at long time, we recover the Brownian dynamics regime, MSD = DΔt, where the mobility D ∝ Φ. We quantify the probe dynamics at short time scale by modeling it as a fractional Brownian motion. The analytical form of the MSD agrees with experimental results.

  19. Investigation of stickiness influence in the anomalous transport and diffusion for a non-dissipative Fermi-Ulam model

    Science.gov (United States)

    Livorati, André L. P.; Palmero, Matheus S.; Díaz-I, Gabriel; Dettmann, Carl P.; Caldas, Iberê L.; Leonel, Edson D.

    2018-02-01

    We study the dynamics of an ensemble of non interacting particles constrained by two infinitely heavy walls, where one of them is moving periodically in time, while the other is fixed. The system presents mixed dynamics, where the accessible region for the particle to diffuse chaotically is bordered by an invariant spanning curve. Statistical analysis for the root mean square velocity, considering high and low velocity ensembles, leads the dynamics to the same steady state plateau for long times. A transport investigation of the dynamics via escape basins reveals that depending of the initial velocity ensemble, the decay rates of the survival probability present different shapes and bumps, in a mix of exponential, power law and stretched exponential decays. After an analysis of step-size averages, we found that the stable manifolds play the role of a preferential path for faster escape, being responsible for the bumps and different shapes of the survival probability.

  20. Crossover of two power laws in the anomalous diffusion of a two lipid membrane.

    Science.gov (United States)

    Bakalis, Evangelos; Höfinger, Siegfried; Venturini, Alessandro; Zerbetto, Francesco

    2015-06-07

    Molecular dynamics simulations of a bi-layer membrane made by the same number of 1-palmitoyl-2-oleoyl-glycero-3-phospho-ethanolamine and palmitoyl-oleoyl phosphatidylserine lipids reveal sub-diffusional motion, which presents a crossover between two different power laws. Fractional Brownian motion is the stochastic mechanism that governs the motion in both regimes. The location of the crossover point is justified with simple geometrical arguments and is due to the activation of the mechanism of circumrotation of lipids about each other.

  1. Thermodynamic and dynamic controls on changes in the zonally anomalous hydrological cycle

    Science.gov (United States)

    Wills, Robert C.; Byrne, Michael P.; Schneider, Tapio

    2016-05-01

    The wet gets wetter, dry gets drier paradigm explains the expected moistening of the extratropics and drying of the subtropics as the atmospheric moisture content increases with global warming. Here we show, using precipitation minus evaporation (P - E) data from climate models, that it cannot be extended to apply regionally to deviations from the zonal mean. Wet and dry zones shift substantially in response to shifts in the stationary-eddy circulations that cause them. Additionally, atmospheric circulation changes lead to a smaller increase in the zonal variance of P - E than would be expected from atmospheric moistening alone. The P - E variance change can be split into dynamic and thermodynamic components through an analysis of the atmospheric moisture budget. This reveals that a weakening of stationary-eddy circulations and changes in the zonal variation of transient-eddy moisture fluxes moderate the strengthening of the zonally anomalous hydrological cycle with global warming.

  2. 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...

  3. Anomalous Diffusion within the Transcriptome as a Bio-Inspired Computing Framework for Resilience

    Directory of Open Access Journals (Sweden)

    William Seffens

    2017-07-01

    Full Text Available Much of biology-inspired computer science is based on the Central Dogma, as implemented with genetic algorithms or evolutionary computation. That 60-year-old biological principle based on the genome, transcriptome and proteasome is becoming overshadowed by a new paradigm of complex ordered associations and connections between layers of biological entities, such as interactomes, metabolomics, etc. We define a new hierarchical concept as the “Connectosome”, and propose new venues of computational data structures based on a conceptual framework called “Grand Ensemble” which contains the Central Dogma as a subset. Connectedness and communication within and between living or biology-inspired systems comprise ensembles from which a physical computing system can be conceived. In this framework the delivery of messages is filtered by size and a simple and rapid semantic analysis of their content. This work aims to initiate discussion on the Grand Ensemble in network biology as a representation of a Persistent Turing Machine. This framework adding interaction and persistency to the classic Turing-machine model uses metrics based on resilience that has application to dynamic optimization problem solving in Genetic Programming.

  4. Understanding Dynamic Competitive Technology Diffusion in Electronic Markets

    Science.gov (United States)

    Zhang, Cheng; Song, Peijian; Xu, Yunjie; Xue, Ling

    The extant literature on information technology (IT) diffusion has largely treated technology diffusion as a generic and independent process. This study, in contrast, examines the diffusion of different IT products with brand differentiation and competition. Drawing upon existing theories of product diffusion, we propose a research model to capture the dynamics of the competitive diffusion of web-based IT products and validate it with longitudinal field data of e-business platforms. Our findings suggest that IT product diffusion can be better predicted by a competitive model than by an independent-diffusion-process model. This research extends IT research to the context of competitive diffusion and provides practitioners an effective model to predict the dissemination of their products. The research also suggests the existence of asymmetric interactions among competing products, prompting scholars and practitioners to pay attention to the influence of competing products when making forecast of their product market.

  5. 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...

  6. Rumor diffusion in an interests-based dynamic social network.

    Science.gov (United States)

    Tang, Mingsheng; Mao, Xinjun; Guessoum, Zahia; Zhou, Huiping

    2013-01-01

    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.

  7. 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.

  8. Measurement of the phase diffusion dynamics in the micromaser

    OpenAIRE

    Casagrande, F.; Ferraro, A.; Lulli, A.; Bonifacio, R.; Solano, E.; Walther, H.

    2002-01-01

    We propose a realistic scheme for measuring the micromaser linewidth by monitoring the phase diffusion dynamics of the cavity field. Our strategy consists in exciting an initial coherent state with the same photon number distribution as the micromaser steady-state field, singling out a purely diffusive process in the system dynamics. After the injection of a counter-field, measurements of the population statistics of a probe atom allow us to derive the micromaser linewidth. Our proposal aims ...

  9. Hydrogen diffusion in liquid aluminum from ab initio molecular dynamics

    Science.gov (United States)

    Jakse, N.; Pasturel, A.

    2014-05-01

    Ab initio molecular dynamics simulations are used to describe the diffusion of hydrogen in liquid aluminum at different temperatures. Quasi-instantaneous jumps separating periods of localized vibrations around a mean position are found to characterize the hydrogen motion at the microscopic scale. The hydrogen motion is furthermore analyzed using the van Hove function. We highlight a non-Fickian behavior for the hydrogen diffusion due to a large spatial distribution of hydrogen jumps. We show that a generalized continuous time random walk (CTRW) model describes the experimental diffusion coefficients in a satisfactory manner. Finally, the impact of impurities and alloying elements on hydrogen diffusion in aluminum is discussed.

  10. Galactic civilizations: Population dynamics and interstellar diffusion

    Science.gov (United States)

    Newman, W. I.; Sagan, C.

    1978-01-01

    The interstellar diffusion of galactic civilizations is reexamined by potential theory; both numerical and analytical solutions are derived for the nonlinear partial differential equations which specify a range of relevant models, drawn from blast wave physics, soil science, and, especially, population biology. An essential feature of these models is that, for all civilizations, population growth must be limited by the carrying capacity of the environment. Dispersal is fundamentally a diffusion process; a density-dependent diffusivity describes interstellar emigration. Two models are considered: the first describing zero population growth (ZPG), and the second which also includes local growth and saturation of a planetary population, and for which an asymptotic traveling wave solution is found.

  11. 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

  12. Interestingness-Driven Diffusion Process Summarization in Dynamic Networks

    DEFF Research Database (Denmark)

    Qu, Qiang; Liu, Siyuan; Jensen, Christian Søndergaard

    2014-01-01

    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......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...

  13. 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.)

  14. 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.)

  15. Hydrogen bond dynamics and vibrational spectral diffusion in ...

    Indian Academy of Sciences (India)

    Abstract. We present an ab initio molecular dynamics study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous solution of acetone at room temperature. It is found that the frequencies of OD bonds in the acetone hydration shell have a higher stretch frequency than those in the bulk water. Also, on ...

  16. Dynamic Diffusion Estimation in Exponential Family Models

    Czech Academy of Sciences Publication Activity Database

    Dedecius, Kamil; Sečkárová, Vladimíra

    2013-01-01

    Roč. 20, č. 11 (2013), s. 1114-1117 ISSN 1070-9908 R&D Projects: GA MŠk 7D12004; GA ČR GA13-13502S Keywords : diffusion estimation * distributed estimation * paremeter estimation Subject RIV: BB - Applied Statistics, Operational Research Impact factor: 1.639, year: 2013 http://library.utia.cas.cz/separaty/2013/AS/dedecius-0396518.pdf

  17. Diffuse-charge dynamics in electrochemical systems

    Science.gov (United States)

    Bazant, Martin Z.; Thornton, Katsuyo; Ajdari, Armand

    2004-08-01

    The response of a model microelectrochemical system to a time-dependent applied voltage is analyzed. The article begins with a fresh historical review including electrochemistry, colloidal science, and microfluidics. The model problem consists of a symmetric binary electrolyte between parallel-plate blocking electrodes, which suddenly apply a voltage. Compact Stern layers on the electrodes are also taken into account. The Nernst-Planck-Poisson equations are first linearized and solved by Laplace transforms for small voltages, and numerical solutions are obtained for large voltages. The “weakly nonlinear” limit of thin double layers is then analyzed by matched asymptotic expansions in the small parameter ɛ=λD/L , where λD is the screening length and L the electrode separation. At leading order, the system initially behaves like an RC circuit with a response time of λDL/D (not λD2/D ), where D is the ionic diffusivity, but nonlinearity violates this common picture and introduces multiple time scales. The charging process slows down, and neutral-salt adsorption by the diffuse part of the double layer couples to bulk diffusion at the time scale, L2/D . In the “strongly nonlinear” regime (controlled by a dimensionless parameter resembling the Dukhin number), this effect produces bulk concentration gradients, and, at very large voltages, transient space charge. The article concludes with an overview of more general situations involving surface conduction, multicomponent electrolytes, and Faradaic processes.

  18. Anomalous increase of diffuse CO_{2} emission from Brava (Cape Verde): evidence of volcanic unrest or increase gas release from a stationary magma body?

    Science.gov (United States)

    García-Merino, Marta; García-Hernández, Rubén; Montrond, Eurico; Dionis, Samara; Fernandes, Paulo; Silva, Sonia V.; Alfama, Vera; Cabral, Jeremías; Pereira, Jose M.; Padrón, Eleazar; Pérez, Nemesio M.

    2017-04-01

    Brava (67 km2) is the southwestern most and the smallest inhabited island of the Cape Verde archipelago. It is located 18 km west of Fogo Island and rises 976 m from the sea level. Brava has not any documented historical eruptions, but its Holocene volcanism and relatively high seismic activity clearly indicate that it is an active volcanic island. Since there have been no historic eruptions in Brava, volcanic hazard awareness among the population and the authorities is very low; therefore, its volcano monitoring program is scarce. With the aim of helping to provide a multidisciplinary monitoring program for the volcanic surveillance of the island, diffuse CO2 emission surveys have been carried out since 2010; approximately every 2 years. Soil CO2 efflux measurements are periodically performed at ˜ 275 observation sites all over the island and after taking into consideration their accessibility and the island volcano-structural characteristics. At each sampling site, soil CO2 efflux measurement was performed by means of a portable NDIR sensor according to the accumulation chamber method. To quantify the total diffuse CO2 emission from Brava volcanic system, soil CO2 efflux maps were constructed using sequential Gaussian simulations (sGs). An increase trend of diffuse CO2 emission rate from 42 to 681 t d-1at Brava was observed; just one year prior the 2014-2015 Fogo eruption and almost three years before the anomalous seismic activity recorded on August 2016 with more than 1000 seismic events registered by the INMG on August 1st, 2016 (Bruno Faria, personal communication). Due to this anomalous seismic activity, a diffuse CO2 emission survey at Brava was performed from August 2 to 10, 2016, and the estimated degassing rate yield a value about 72 t d-1; typical background values. An additional survey was carried out from October 22 to November 6, 2016. For this last survey, the estimated diffuse CO2 emission from Brava showed the highest observed value with a

  19. Weak diffusion limits of dynamic conditional correlation models

    DEFF Research Database (Denmark)

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

    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......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...... for the rate of convergence of the parameters, obtaining time-varying but deterministic variances and/or correlations. A Monte Carlo experiment confirms that the quasi approximate maximum likelihood (QAML) method to estimate the diffusion parameters is inconsistent for any fixed frequency, but that it may...

  20. Diffusion dynamics in an advanced optical trap

    Science.gov (United States)

    Tatarkova, Svetlana A.; Dholakia, Kishan

    2003-10-01

    Stochastic processes play a key role in the communications inside the cells, cell mitosis and membrane channel regulation. It has been suggested that the molecular transport mechanism can be based on rectified thermal diffusion in a Brownian ratchet. A two-dimensional optical potential of circular symmetry created by a Bessel light beam is an ideal playground to study these phenomena. This optical field can be tilted to create a periodic (washboard) potential of imperfect Brownian ratchet. The tilt variation induces a directed transport of microparticles or biomolecules across the potential barriers when biomolecules attached non-covalently to these microparticles. In the central maximum of Bessel beam particles can be guided due to radiation pressure. Our data offer a new venue for understanding of cooperative phenomena in biology.

  1. Origins of Anomalous Transport in Heterogeneous Media: Structural and Dynamic Controls

    Science.gov (United States)

    Edery, Yaniv; Guadagnini, Alberto; Scher, Harvey; Berkowitz, Brian

    2014-05-01

    Anomalous (or 'non-Fickian') transport is ubiquitous in the context of tracer migration in geological formations. We quantitatively identify the origin of anomalous transport in a representative model of a heterogeneous porous medium under uniform (in the mean) flow conditions; we focus on anomalous transport which arises in the complex flow patterns of lognormally distributed hydraulic conductivity (K) fields, with several decades of K values. Transport in the domains is determined by a particle tracking technique and characterized by breakthrough curves (BTCs). The BTC averaged over multiple realizations demonstrates anomalous transport in all cases, which is accounted for entirely by a power-law distribution ~ t-1-β of local transition times, contained in the probability density function ψ(t) of transition times, using the framework of a continuous time random walk (CTRW). A unique feature of our analysis is the derivation of ψ(t) as a function of parameters quantifying the heterogeneity of the domain. In this context, we first establish the dominance of preferential pathways across each domain, and characterize the statistics of these pathways by forming a particle-visitation weighted histogram Hw(K). By converting the ln(K) dependence of Hw(K) into time, we demonstrate the equivalence of Hw(K) and ψ(t), and delineate the region of Hw(K) that forms the power law of ψ(t). This thus defines the origin of anomalous transport. Analysis of the preferential pathways clearly demonstrates the limitations of critical path analysis and percolation theory as a basis for determining the origin of anomalous transport. Furthermore, we derive an expression defining the power law exponent β in terms of the Hw(K) parameters. The equivalence between Hw(K) and ψ(t) is a remarkable result, particularly given the nature of the K heterogeneity, the complexity of the flow field within each realization, and the statistics of the particle transitions.

  2. Mobility and Conformational Dynamics of large DNA diffusing through Cytoskeletal Networks

    Science.gov (United States)

    Regan, Kathryn; Ricketts, Shea; Wulstein, Devynn; McGorty, Ryan; Robertson-Anderson, Rae M.

    The high concentrations of proteins crowding cells greatly influence intracellular DNA dynamics. These crowders, ranging from small mobile proteins to large cytoskeletal filaments such as semiflexible actin and rigid microtubules, can hinder diffusion and induce conformational changes in DNA. The rigidity, mobility, and concentration of crowders all play a role in DNA transport, yet previous studies have mainly focused on the effect of small mobile crowders on transport. At the same time the rigid cytoskeleton has been identified as a key factor suppressing viral transfection and gene delivery. Here, we use fluorescence microscopy and custom single-molecule conformational tracking algorithms to measure center-of-mass transport and time-varying conformational sizes and shapes of single 115 kbp DNA molecules diffusing in networks of actin filaments and microtubules. We determine the dependence of protein concentration (6 - 23 μM) and rigidity (actin vs microtubules) on DNA dynamics. Corresponding measurements with monomeric actin and tubulin identify the roles that network rigidity versus excluded volume play in transport. Initial results show that crowding by microtubules induces anomalous transport and larger, slower conformational fluctuations of DNA. Funding from AFOSR Young Investigator Program (FA95550-12-1-0315).

  3. 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.

  4. Exact Dimensional Reduction of Linear Dynamics: Application to Confined Diffusion

    Science.gov (United States)

    Kalinay, Pavol; Percus, Jerome K.

    2006-06-01

    In their stochastic versions, dynamical systems take the form of the linear dynamics of a probability distribution. We show that exact dimensional reduction of such systems can be carried out, and is physically relevant when the dimensions to be eliminated can be identified with those that represent transient behavior, disappearing under typical coarse graining. Application is made to non-uniform quasi-low dimensional diffusion, resulting in a systematic extension of the "classical" Fick-Jacobs approximate reduction to an exact subdynamics.

  5. 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...... alone. By relying on diffusion rather than convection to generate the necessary dye replenishment, their observation potentially allows for a significant simplification of optofluidic dye laser device layouts, omitting the need for cumbersome and costly external fluidic handling or on-chip microfluidic...

  6. 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

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. Nonlinear dynamics of reaction-diffusion systems: Analysis and computations

    International Nuclear Information System (INIS)

    Wilhelmsson, H.

    1991-01-01

    Equilibria and dynamics of reaction-diffusion systems are studied by means of analysis and computations based on a central expansions method for radially symmetric as well as angularly asymmetric distributions. Effects of boundary conditions are included. The interplay between the different processes in the evolution of the system is considered. The investigation provides a unified description in one, two and three dimensions. A particular application concerns the time evolution of temperature profiles in a fusion reactor plasma. (au)

  12. 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.

  13. 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.

  14. Deep inelastic neutron scattering from orthorhombic ordered HCl: Short-time proton dynamics and anomalous neutron cross sections

    International Nuclear Information System (INIS)

    Senesi, R.; Colognesi, D.; Pietropaolo, A.; Abdul-Redah, T.

    2005-01-01

    Deep inelastic neutron scattering measurements from orthorhombic ordered HCl are presented and analyzed in order to clarify the problem of an anomalous deficit in the neutron-proton cross section found in previous experiments on various materials. A reliable model for the HCl short-time single-particle dynamics, including atomic vibrational anisotropies and deviations from the impulsive approximation, is set up. The model HCl response function is transformed into simulated time-of-flight spectra, taking carefully into account the effects of instrumental resolution and the filter absorption profile used for neutron energy analysis. Finally, the experimental values of the anomalous reduction factor for the neutron-proton cross section are extracted by comparing simulated and experimental data. Results show a 34% reduction of the H cross section, varying with the scattering angle in a range centered at 53 deg. In addition, the same approximate procedure used in earlier studies is also employed, providing results in reasonable agreement with the more rigorous ones, and confirming the substantial reliability of the past work on this subject

  15. 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.

  16. Modeling Earth's Outer Radiation Belt Electron Dynamics---Radial Diffusion, Heating, and Loss

    Science.gov (United States)

    Tu, Weichao

    Earth's outer radiation belt is a relativistic electron environment that is hazardous to space systems. It is characterized by large variations in the electron flux, which are controlled by the competition between source, transport, and loss processes. One of the central questions in outer radiation belt research is to resolve the relative contribution of radial diffusion, wave heating, and loss to the enhancement and decay of the radiation belt electrons. This thesis studies them together and separately. Firstly, we develop an empirical Fokker-Planck model that includes radial diffusion, an internal source, and finite electron lifetimes parameterized as functions of geomagnetic indices. By simulating the observed electron variations, the model suggests that the required magnitudes of radial diffusion and internal heating for the enhancement of energetic electrons in the outer radiation belt vary from storm to storm, and generally internal heating contributes more to the enhancements of MeV energy electrons at L=4 (L is approximately the radial distance in Earth radii at the equator). However, since the source, transport, and loss terms in the model are empirical, the model results have uncertainties. To eliminate the uncertainty in the loss rate, both the precipitation and the adiabatic loss of radiation belt electrons are quantitatively studied. Based on the observations from Solar Anomalous and Magnetospheric Particle Explorer (SAMPEX), a Drift-Diffusion model is applied to quantify electron precipitation loss, which is the dominant non-adiabatic loss mechanism for electrons in the heart of the outer radiation belt. Model results for a small storm, a moderate storm, and an intense storm indicate that fast precipitation losses of relativistic electrons, on the time scale of hours, persistently occur in the storm main phases and with more efficient losses at higher energies over wide range of L regions. Additionally, calculations of adiabatic effects on radiation

  17. Water diffusion in q-space imaging as a probe of cell local viscosity and anomalous diffusion in grey and white matter

    OpenAIRE

    Nicolas, Renaud; Aubry, Florent; Pariente, Jérémie; Franceries, Xavier; Chauveau, Nicolas; Saint-Aubert, Laure; Chollet, François; Breil, Stephane; Celsis, Pierre

    2015-01-01

    Extraction of accurate quantitative parameters to characterize water diffusion in complex porous media like brain tissue in neuroimaging is a challenging inverse problem, that depends on medium\\'s structural and geometrical factors [1,3]. If the role of membranes is generally invoked, probe collisions with the insoluble cytoskeleton network and water hydrodynamic interactions with dissolved macromolecules and cytoskeleton occur as well [2]. The latter two interactions have been shown to de...

  18. Dynamic hysteresis modeling including skin effect using diffusion equation model

    Energy Technology Data Exchange (ETDEWEB)

    Hamada, Souad, E-mail: souadhamada@yahoo.fr [LSP-IE: Research Laboratory, Electrical Engineering Department, University of Batna, 05000 Batna (Algeria); Louai, Fatima Zohra, E-mail: fz_louai@yahoo.com [LSP-IE: Research Laboratory, Electrical Engineering Department, University of Batna, 05000 Batna (Algeria); Nait-Said, Nasreddine, E-mail: n_naitsaid@yahoo.com [LSP-IE: Research Laboratory, Electrical Engineering Department, University of Batna, 05000 Batna (Algeria); Benabou, Abdelkader, E-mail: Abdelkader.Benabou@univ-lille1.fr [L2EP, Université de Lille1, 59655 Villeneuve d’Ascq (France)

    2016-07-15

    An improved dynamic hysteresis model is proposed for the prediction of hysteresis loop of electrical steel up to mean frequencies, taking into account the skin effect. In previous works, the analytical solution of the diffusion equation for low frequency (DELF) was coupled with the inverse static Jiles-Atherton (JA) model in order to represent the hysteresis behavior for a lamination. In the present paper, this approach is improved to ensure the reproducibility of measured hysteresis loops at mean frequency. The results of simulation are compared with the experimental ones. The selected results for frequencies 50 Hz, 100 Hz, 200 Hz and 400 Hz are presented and discussed.

  19. Radial propagation in population dynamics with density-dependent diffusion

    Science.gov (United States)

    Ngamsaad, Waipot

    2014-01-01

    Population dynamics that evolve in a radial symmetric geometry are investigated. The nonlinear reaction-diffusion model, which depends on population density, is employed as the governing equation for this system. The approximate analytical solution to this equation is found. It shows that the population density evolves from the initial state and propagates in a traveling-wave-like manner for a long-time scale. If the distance is insufficiently long, the curvature has an ineluctable influence on the density profile and front speed. In comparison, the analytical solution is in agreement with the numerical solution.

  20. Anomalous transport in heterogeneous media

    Science.gov (United States)

    Horbach, Jürgen; Siboni, Nima H.; Schnyder, Simon K.

    2017-08-01

    The diffusion dynamics of particles in heterogeneous media is studied using particle-based simulation techniques. A special focus is placed on systems where the transport of particles at long times exhibits anomalies such as subdiffusive or superdiffusive behavior. First, a two-dimensional model system is considered containing gas particles (tracers) that diffuse through a random arrangement of pinned, disk-shaped particles. This system is similar to a classical Lorentz gas. However, different from the original Lorentz model, soft instead of hard interactions are considered and we also discuss the case where the tracer particles interact with each other. We show that the modification from hard to soft interactions strongly affects anomalous-diffusive transport at high obstacle densities. Second, non-linear active micro-rheology in a glass-forming binary Yukawa mixture is investigated, pulling single particles through a deeply supercooled state by applying a constant force. Here, we observe superdiffusion in force direction and analyze its origin. Finally, we consider the Brownian dynamics of a particle which is pulled through a two-dimensional random force field. We discuss the similarities of this model with the Lorentz gas as well as active micro-rheology in glass-forming systems.

  1. 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

  2. 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.

  3. 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.

  4. '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

  5. 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.

  6. 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.

  7. Diffusion of innovations dynamics, biological growth and catenary function

    Science.gov (United States)

    Guseo, Renato

    2016-12-01

    The catenary function has a well-known role in determining the shape of chains and cables supported at their ends under the force of gravity. This enables design using a specific static equilibrium over space. Its reflected version, the catenary arch, allows the construction of bridges and arches exploiting the dual equilibrium property under uniform compression. In this paper, we emphasize a further connection with well-known aggregate biological growth models over time and the related diffusion of innovation key paradigms (e.g., logistic and Bass distributions over time) that determine self-sustaining evolutionary growth dynamics in naturalistic and socio-economic contexts. Moreover, we prove that the 'local entropy function', related to a logistic distribution, is a catenary and vice versa. This special invariance may be explained, at a deeper level, through the Verlinde's conjecture on the origin of gravity as an effect of the entropic force.

  8. 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.

  9. Anomalous dynamics of aqueous solutions of di-propylene glycol methylether confined in MCM-41 by quasielastic neutron scattering

    Science.gov (United States)

    Swenson, Jan; Elamin, Khalid; Chen, Guo; Lohstroh, Wiebke; Sakai, Victoria Garcia

    2014-12-01

    The molecular dynamics of solutions of di-propylene glycol methylether (2PGME) and H2O (or D2O) confined in 28 Å pores of MCM-41 have been studied by quasielastic neutron scattering and differential scanning calorimetry over the concentration range 0-90 wt.% water. This system is of particular interest due to its pronounced non-monotonic concentration dependent dynamics of 2PGME in the corresponding bulk system, showing the important role of hydrogen bonding for the dynamics. In this study we have elucidated how this non-monotonic concentration dependence is affected by the confined geometry. The results show that this behaviour is maintained in the confinement, but the slowest diffusive dynamics of 2PGME is now observed at a considerably higher water concentration; at 75 wt.% water in MCM-41 compared to 30 wt.% water in the corresponding bulk system. This difference can be explained by an improper mixing of the two confined liquids. The results suggest that water up to a concentration of about 20 wt.% is used to hydrate the hydrophilic hydroxyl surface groups of the silica pores, and that it is only at higher water contents the water becomes partly mixed with 2PGME. Hence, due to this partial micro-phase separation of the two liquids larger, and thereby slower relaxing, structural entities of hydrogen bonded water and 2PGME molecules can only be formed at higher water contents than in the bulk system. However, the Q-dependence is unchanged with confinement, showing that the nature of the molecular motions is preserved. Thus, there is no indication of localization of the dynamics at length scales of less than 20 Å. The dynamics of both water and 2PGME is strongly dominated by translational diffusion at a temperature of 280 K.

  10. 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.

  11. Anomalous magnetic structure and spin dynamics in magnetoelectric LiFePO4

    DEFF Research Database (Denmark)

    Toft-Petersen, Rasmus; Reehuis, Manfred; Jensen, Thomas Bagger Stibius

    2015-01-01

    We report significant details of the magnetic structure and spin dynamics of LiFePO4 obtained by single-crystal neutron scattering. Our results confirm a previously reported collinear rotation of the spins away from the principal b axis, and they determine that the rotation is toward the a axis...... with earlier susceptibility measurements. Using a spin Hamiltonian, we show that the spin dimensionality is intermediate between XY- and Ising-like, with an easy b axis and a hard c axis. It is shown that both next-nearest neighbor exchange couplings in the bc plane are in competition with the strongest...

  12. Moderately nonlinear diffuse-charge dynamics under an ac voltage

    Science.gov (United States)

    Stout, Robert F.; Khair, Aditya S.

    2015-09-01

    The response of a symmetric binary electrolyte between two parallel, blocking electrodes to a moderate amplitude ac voltage is quantified. The diffuse charge dynamics are modeled via the Poisson-Nernst-Planck equations for a dilute solution of point-like ions. The solution to these equations is expressed as a Fourier series with a voltage perturbation expansion for arbitrary Debye layer thickness and ac frequency. Here, the perturbation expansion in voltage proceeds in powers of Vo/(kBT /e ) , where Vo is the amplitude of the driving voltage and kBT /e is the thermal voltage with kB as Boltzmann's constant, T as the temperature, and e as the fundamental charge. We show that the response of the electrolyte remains essentially linear in voltage amplitude at frequencies greater than the RC frequency of Debye layer charging, D /λDL , where D is the ion diffusivity, λD is the Debye layer thickness, and L is half the cell width. In contrast, nonlinear response is predicted at frequencies below the RC frequency. We find that the ion densities exhibit symmetric deviations from the (uniform) equilibrium density at even orders of the voltage amplitude. This leads to the voltage dependence of the current in the external circuit arising from the odd orders of voltage. For instance, the first nonlinear contribution to the current is O (Vo3) which contains the expected third harmonic but also a component oscillating at the applied frequency. We use this to compute a generalized impedance for moderate voltages, the first nonlinear contribution to which is quadratic in Vo. This contribution predicts a decrease in the imaginary part of the impedance at low frequency, which is due to the increase in Debye layer capacitance with increasing Vo. In contrast, the real part of the impedance increases at low frequency, due to adsorption of neutral salt from the bulk to the Debye layer.

  13. Moderately nonlinear diffuse-charge dynamics under an ac voltage.

    Science.gov (United States)

    Stout, Robert F; Khair, Aditya S

    2015-09-01

    The response of a symmetric binary electrolyte between two parallel, blocking electrodes to a moderate amplitude ac voltage is quantified. The diffuse charge dynamics are modeled via the Poisson-Nernst-Planck equations for a dilute solution of point-like ions. The solution to these equations is expressed as a Fourier series with a voltage perturbation expansion for arbitrary Debye layer thickness and ac frequency. Here, the perturbation expansion in voltage proceeds in powers of V_{o}/(k_{B}T/e), where V_{o} is the amplitude of the driving voltage and k_{B}T/e is the thermal voltage with k_{B} as Boltzmann's constant, T as the temperature, and e as the fundamental charge. We show that the response of the electrolyte remains essentially linear in voltage amplitude at frequencies greater than the RC frequency of Debye layer charging, D/λ_{D}L, where D is the ion diffusivity, λ_{D} is the Debye layer thickness, and L is half the cell width. In contrast, nonlinear response is predicted at frequencies below the RC frequency. We find that the ion densities exhibit symmetric deviations from the (uniform) equilibrium density at even orders of the voltage amplitude. This leads to the voltage dependence of the current in the external circuit arising from the odd orders of voltage. For instance, the first nonlinear contribution to the current is O(V_{o}^{3}) which contains the expected third harmonic but also a component oscillating at the applied frequency. We use this to compute a generalized impedance for moderate voltages, the first nonlinear contribution to which is quadratic in V_{o}. This contribution predicts a decrease in the imaginary part of the impedance at low frequency, which is due to the increase in Debye layer capacitance with increasing V_{o}. In contrast, the real part of the impedance increases at low frequency, due to adsorption of neutral salt from the bulk to the Debye layer.

  14. Diffusion of compact macromolecules through polymer meshes: mesh dynamics and probe dynamics

    International Nuclear Information System (INIS)

    Biehl, R.; Guo, X.; Prud'homme, R.K.; Monkenbusch, M.; Allgeier, J.; Richter, D.

    2004-01-01

    The diffusion of compact macromolecules in polymer networks is examined to understand how polymer networks or gels could be used to filter different types of macromolecules. We present new measurements of the network and probe dynamics by neutron spin-echo spectroscopy (NSE). The investigated system consists of the protein α-lactalbumin (R g =15.2 Angst) as probe and a network of high molecular weight polyethylenoxide. The high molecular weight ensures a long disentanglement time for the polymer in order to create a stable network. We compare the network dynamics and the dynamics of the probe protein in the network at different mesh sizes. We study the dynamics at different q values between 0.03 and 0.22 Angst -1 . The corresponding length scales reach from distances smaller than the mesh size to larger than the mesh size

  15. 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.

  16. Lattice dynamical investigations on Zn diffusion in zinc oxide

    Indian Academy of Sciences (India)

    diffusion and that too by single vacancy mechanism. The results are compared with the available experiments and ... be achieved, as no two diffusion experiments have given the same results. For example, Tomlins et al ... lying in the same plane and perpendicular to the direction of jump of the diffusing atom. When a ring of ...

  17. 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.

  18. Anomalous water dynamics at surfaces and interfaces: synergistic effects of confinement and surface interactions

    Science.gov (United States)

    Biswas, Rajib; Bagchi, Biman

    2018-01-01

    In nature, water is often found in contact with surfaces that are extended on the scale of molecule size but small on a macroscopic scale. Examples include lipid bilayers and reverse micelles as well as biomolecules like proteins, DNA and zeolites, to name a few. While the presence of surfaces and interfaces interrupts the continuous hydrogen bond network of liquid water, confinement on a mesoscopic scale introduces new features. Even when extended on a molecular scale, natural and biological surfaces often have features (like charge, hydrophobicity) that vary on the scale of the molecular diameter of water. As a result, many new and exotic features, which are not seen in the bulk, appear in the dynamics of water close to the surface. These different behaviors bear the signature of both water–surface interactions and of confinement. In other words, the altered properties are the result of the synergistic effects of surface–water interactions and confinement. Ultrafast spectroscopy, theoretical modeling and computer simulations together form powerful synergistic approaches towards an understanding of the properties of confined water in such systems as nanocavities, reverse micelles (RMs), water inside and outside biomolecules like proteins and DNA, and also between two hydrophobic walls. We shall review the experimental results and place them in the context of theory and simulations. For water confined within RMs, we discuss the possible interference effects propagating from opposite surfaces. Similar interference is found to give rise to an effective attractive force between two hydrophobic surfaces immersed and kept fixed at a separation of d, with the force showing an exponential dependence on this distance. For protein and DNA hydration, we shall examine a multitude of timescales that arise from frustration effects due to the inherent heterogeneity of these surfaces. We pay particular attention to the role of orientational correlations and modification of

  19. Diffusive dynamics of DNA unzipping in a nanopore.

    Science.gov (United States)

    Stachiewicz, Anna; Molski, Andrzej

    2016-02-15

    When an electric field is applied to an insulating membrane, movement of charged particles through a nanopore is induced. The measured ionic current reports on biomolecules passing through the nanopore. In this work, we explored the kinetics of DNA unzipping in a nanopore using our coarse-grained model (Stachiewicz and Molski, J. Comput. Chem. 2015, 36, 947). Coarse graining allowed a more detailed analysis for a wider range of parameters than all-atom simulations. Dependence of the translocation mode (unzipping or distortion) on the pore diameter was examined, and the threshold voltages were estimated. We determined the potential of mean force, position-dependent diffusion coefficient, and position-dependent effective charge for the DNA unzipping. The three molecular profiles were correlated with the ionic current and molecular events. On the unzipping/translocation force profile, two energy maxima were found, one of them corresponding to the unzipping, and the other to the translocation barriers. The unzipping kinetics were further explored using Brownian dynamics. © 2015 Wiley Periodicals, Inc.

  20. The dynamics of multimodal integration: The averaging diffusion model.

    Science.gov (United States)

    Turner, Brandon M; Gao, Juan; Koenig, Scott; Palfy, Dylan; L McClelland, James

    2017-12-01

    We combine extant theories of evidence accumulation and multi-modal integration to develop an integrated framework for modeling multimodal integration as a process that unfolds in real time. Many studies have formulated sensory processing as a dynamic process where noisy samples of evidence are accumulated until a decision is made. However, these studies are often limited to a single sensory modality. Studies of multimodal stimulus integration have focused on how best to combine different sources of information to elicit a judgment. These studies are often limited to a single time point, typically after the integration process has occurred. We address these limitations by combining the two approaches. Experimentally, we present data that allow us to study the time course of evidence accumulation within each of the visual and auditory domains as well as in a bimodal condition. Theoretically, we develop a new Averaging Diffusion Model in which the decision variable is the mean rather than the sum of evidence samples and use it as a base for comparing three alternative models of multimodal integration, allowing us to assess the optimality of this integration. The outcome reveals rich individual differences in multimodal integration: while some subjects' data are consistent with adaptive optimal integration, reweighting sources of evidence as their relative reliability changes during evidence integration, others exhibit patterns inconsistent with optimality.

  1. The spring 2011 final stratospheric warming above Eureka: anomalous dynamics and chemistry

    Directory of Open Access Journals (Sweden)

    C. Adams

    2013-01-01

    Full Text Available In spring 2011, the Arctic polar vortex was stronger than in any other year on record. As the polar vortex started to break up in April, ozone and NO2 columns were measured with UV-visible spectrometers above the Polar Environment Atmospheric Research Laboratory (PEARL in Eureka, Canada (80.05° N, 86.42° W using the differential optical absorption spectroscopy (DOAS technique. These ground-based column measurements were complemented by Ozone Monitoring Instrument (OMI and Optical Spectrograph and Infra-Red Imager System (OSIRIS satellite measurements, Global Modeling Initiative (GMI simulations, and meteorological quantities. On 8 April 2011, NO2 columns above PEARL from the DOAS, OMI, and GMI datasets were approximately twice as large as in previous years. On this day, temperatures and ozone volume mixing ratios above Eureka were high, suggesting enhanced chemical production of NO2 from NO. Additionally, GMI NOx (NO + NO2 and N2O fields suggest that downward transport along the vortex edge and horizontal transport from lower latitudes also contributed to the enhanced NO2. The anticyclone that transported lower-latitude NOx above PEARL became frozen-in and persisted in dynamical and GMI N2O fields until the end of the measurement period on 31 May 2011. Ozone isolated within this frozen-in anticyclone (FrIAC in the middle stratosphere was lost due to reactions with the enhanced NOx. Below the FrIAC (from the tropopause to 700 K, NOx driven ozone loss above Eureka was larger than in previous years, according to GMI monthly average ozone loss rates. Using the passive tracer technique, with passive ozone profiles from the Lagrangian Chemistry and Transport Model, ATLAS, ozone losses since 1 December 2010 were calculated at 600 K. In the air mass that was above Eureka on 20 May 2011, ozone losses reached 4.2 parts per million by

  2. Fe self-diffusion and Cu and Ni diffusion in bulk and grain boundary of Fe: A molecular dynamics study

    International Nuclear Information System (INIS)

    Shu, Xiaolin; Li, Xiaochun; Yu, Yi; Liu, Yinan; Wu, Tiefeng; Shuo, Yuan; Lu, Guanghong

    2013-01-01

    Segregation of solute elements or impurities to the grain boundary (GB) may be impeding the dislocation movement to cause the embrittlement of materials. The diffusion behaviour of elements in alloy, especially in GB, has a crucial effect on the segregation of impurities. We calculated the migration energy of Fe, Cu and Ni atom in Fe by the molecular dynamics method with the Nudged Elastic Band (NEB) method. The self-diffusion migration energy of Fe is 0.628 eV. The migration energies of Cu and Ni in Fe crystal are 0.592 eV and 0.608 eV, respectively. These results are good agreement with other calculations. The migration energies of Fe atom, Cu and Ni solute diffusion in [0 0 1] and [3 1 0] direction in GB Σ5 [3 1 0] and diffusion out GB Σ5 [3 1 0] in [1 1 1] direction are calculated. The Cu solute is segregate easier to GB and more difficult diffusion out of GB than the Ni solute. The Fe atom, Cu and Ni solute are very difficult to diffuse in [0 0 1] and [3 1 0] in Σ5 [3 1 0] because of their large migration energies, respectively. They can jump out of GB in [1 1 1] and back to GB in other [1 1 1] to diffuse near GB

  3. Diffusion dynamics of vacancy on Re(0 0 0 1), compared with adatom

    Energy Technology Data Exchange (ETDEWEB)

    Yang Jianyu, E-mail: wuliyangjianyu@yahoo.com.c [Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104 (China); Hu Wangyu, E-mail: wangyuhu2001@yahoo.com.c [Department of Applied Physics, Hunan University, Changsha 410082 (China); Liu Yanhui [Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104 (China)

    2009-05-01

    Using molecular dynamics (MD) simulations along with our recently constructed modified analytic embedded-atom method, the diffusion dynamics of single vacancy and adatom on Re(0 0 0 1) surface are studied. The diffusion coefficients of Re adatom and vacancy are calculated, and are found to present Arrhenius diagram. The diffusion migration energies (E{sub m}) and prefactors (D{sub 0}) are obtained from the Arrhenius relation. The calculated E{sub m} for adatom is in agreement with the recent low-temperature field ion microscope experimental data. The E{sub m} and D{sub 0} show that the vacancy has very low diffusive rate.

  4. Friction and diffusion dynamics of adsorbates at surfaces

    NARCIS (Netherlands)

    Fusco, C.

    2005-01-01

    A theoretical study of the motion of adsorbates (e. g. atoms, molecules or clusters) on solid surfaces is presented, with a focus on surface diffusion and atomic-scale friction. These two phenomena are inextricably linked, because when an atomic or molecular adsorbate diffuses, or is pulled, it

  5. Anomalous transport in the crowded world of biological cells

    International Nuclear Information System (INIS)

    Höfling, Felix; Franosch, Thomas

    2013-01-01

    A ubiquitous observation in cell biology is that the diffusive motion of macromolecules and organelles is anomalous, and a description simply based on the conventional diffusion equation with diffusion constants measured in dilute solution fails. This is commonly attributed to macromolecular crowding in the interior of cells and in cellular membranes, summarizing their densely packed and heterogeneous structures. The most familiar phenomenon is a sublinear, power-law increase of the mean-square displacement (MSD) as a function of the lag time, but there are other manifestations like strongly reduced and time-dependent diffusion coefficients, persistent correlations in time, non-Gaussian distributions of spatial displacements, heterogeneous diffusion and a fraction of immobile particles. After a general introduction to the statistical description of slow, anomalous transport, we summarize some widely used theoretical models: Gaussian models like fractional Brownian motion and Langevin equations for visco-elastic media, the continuous-time random walk model, and the Lorentz model describing obstructed transport in a heterogeneous environment. Particular emphasis is put on the spatio-temporal properties of the transport in terms of two-point correlation functions, dynamic scaling behaviour, and how the models are distinguished by their propagators even if the MSDs are identical. Then, we review the theory underlying commonly applied experimental techniques in the presence of anomalous transport like single-particle tracking, fluorescence correlation spectroscopy (FCS) and fluorescence recovery after photobleaching (FRAP). We report on the large body of recent experimental evidence for anomalous transport in crowded biological media: in cyto- and nucleoplasm as well as in cellular membranes, complemented by in vitro experiments where a variety of model systems mimic physiological crowding conditions. Finally, computer simulations are discussed which play an important

  6. Anomalous transport in the crowded world of biological cells.

    Science.gov (United States)

    Höfling, Felix; Franosch, Thomas

    2013-04-01

    A ubiquitous observation in cell biology is that the diffusive motion of macromolecules and organelles is anomalous, and a description simply based on the conventional diffusion equation with diffusion constants measured in dilute solution fails. This is commonly attributed to macromolecular crowding in the interior of cells and in cellular membranes, summarizing their densely packed and heterogeneous structures. The most familiar phenomenon is a sublinear, power-law increase of the mean-square displacement (MSD) as a function of the lag time, but there are other manifestations like strongly reduced and time-dependent diffusion coefficients, persistent correlations in time, non-Gaussian distributions of spatial displacements, heterogeneous diffusion and a fraction of immobile particles. After a general introduction to the statistical description of slow, anomalous transport, we summarize some widely used theoretical models: Gaussian models like fractional Brownian motion and Langevin equations for visco-elastic media, the continuous-time random walk model, and the Lorentz model describing obstructed transport in a heterogeneous environment. Particular emphasis is put on the spatio-temporal properties of the transport in terms of two-point correlation functions, dynamic scaling behaviour, and how the models are distinguished by their propagators even if the MSDs are identical. Then, we review the theory underlying commonly applied experimental techniques in the presence of anomalous transport like single-particle tracking, fluorescence correlation spectroscopy (FCS) and fluorescence recovery after photobleaching (FRAP). We report on the large body of recent experimental evidence for anomalous transport in crowded biological media: in cyto- and nucleoplasm as well as in cellular membranes, complemented by in vitro experiments where a variety of model systems mimic physiological crowding conditions. Finally, computer simulations are discussed which play an important

  7. 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)

  8. High pressure induced phase transition and superdiffusion in anomalous fluid confined in flexible nanopores

    International Nuclear Information System (INIS)

    Bordin, José Rafael; Krott, Leandro B.; Barbosa, Marcia C.

    2014-01-01

    The behavior of a confined spherical symmetric anomalous fluid under high external pressure was studied with Molecular Dynamics simulations. The fluid is modeled by a core-softened potential with two characteristic length scales, which in bulk reproduces the dynamical, thermodynamical, and structural anomalous behavior observed for water and other anomalous fluids. Our findings show that this system has a superdiffusion regime for sufficient high pressure and low temperature. As well, our results indicate that this superdiffusive regime is strongly related with the fluid structural properties and the superdiffusion to diffusion transition is a first order phase transition. We show how the simulation time and statistics are important to obtain the correct dynamical behavior of the confined fluid. Our results are discussed on the basis of the two length scales

  9. Diffusive Dynamics of Contact Formation in Disordered Polypeptides

    Science.gov (United States)

    Zerze, Gül H.; Mittal, Jeetain; Best, Robert B.

    2016-02-01

    Experiments measuring contact formation between probes in disordered chains provide information on the fundamental time scales relevant to protein folding. However, their interpretation usually relies on one-dimensional (1D) diffusion models, as do many experiments probing a single distance. Here, we use all-atom molecular simulations to capture both the time scales of contact formation, as well as the scaling with peptide length for tryptophan triplet quenching experiments, revealing the sensitivity of the experimental quenching times to the configurational space explored by the chain. We find a remarkable consistency between the results of the full calculation and from Szabo-Schulten-Schulten theory applied to a 1D diffusion model, supporting the validity of such models. The significant reduction in diffusion coefficient at the small probe separations which most influence quenching rate, suggests that contact formation and Förster resonance energy transfer correlation experiments provide complementary information on diffusivity.

  10. Protein diffusion coefficients determined by macroscopic-gradient Rayleigh interferometry and dynamic light scattering.

    Science.gov (United States)

    Annunziata, Onofrio; Buzatu, Daniela; Albright, John G

    2005-12-20

    Dynamic light scattering (DLS) is extensively used for measuring macromolecule diffusion coefficients. Contrary to classical techniques based on macroscopic concentration gradients, DLS probes microscopic fluctuations in concentration. DLS accuracy and its concordance with macroscopic-gradient techniques remains an outstanding important issue. We measured lysozyme diffusion coefficients in aqueous salt using both DLS and Rayleigh interferometry, a highly accurate macroscopic-gradient technique. The precision of our results is unprecedented. We find that our DLS values were systematically 2% higher than interferometry values. We believe that our interferometric measurements have produced the most accurate diffusion data ever reported for a protein, providing a new standard for quality control of DLS measurements. Furthermore, by interferometry, we have determined the whole diffusion coefficient matrix required for rigorously describing lysozyme-salt coupled diffusion. For the first time, we experimentally demonstrate that DLS does not provide the protein diffusion coefficient but one eigenvalue of the diffusion coefficient matrix.

  11. Lithium diffusion in silicon and induced structure disorder: A molecular dynamics study

    Directory of Open Access Journals (Sweden)

    Huanyu Wang

    2013-11-01

    Full Text Available Using molecular dynamics method, we investigate the diffusion property of lithium in different silicon structures and silicon structure's disorder extent during lithium's diffusion process. We find that the pathway and the incident angle between the direction of barrier and diffusion of lithium are also the essential factors to the lithium's diffusion property in silicon anode besides the barrier. Smaller incident angle could decrease the scattering of lithium in silicon structure effectively. Moreover, lithium diffuses easier in the Li-Si alloy structure of higher lithium concentration with deeper injection depth. The silicon's structure will be damaged gradually during the charge and discharge process. However, it will also recover to initial state to a great extent after relaxation. Therefore, the damage of lithium diffusion to silicon anode in the structure of low lithium concentration is reversible to a great degree. In addition, the silicon structure of crystal orientation perform better properties in both lithium's diffusivity and structural stability.

  12. Impact of morphology on diffusive dynamics on curved surfaces.

    Science.gov (United States)

    Kusters, Remy; Storm, Cornelis

    2014-03-01

    Diffusive processes on nonplanar substrates are deeply relevant for cellular function and transport and increasingly used to probe and characterize the behavior of proteins in membranes. We present analytical and numerical analyses of in-plane diffusion of discrete particles on curved geometries reflecting various generic motifs in biology and explore, in particular, the effect that the shape of the substrate has on the characteristic time scales of diffusive processes. To this end, we consider both collective measures (the relaxation of concentration profiles towards equilibrium) and single-particle measures (escape rates and first passage times of individual diffusing molecules): the first relevant for the correct interpretation of FRAP experiments in curved environments; the second, for single-particle tracking probes. Each of these measures is sensitively affected by the morphology of the substrate, and we find that the exit rate out of a domain is not uniquely set by the size of its boundary, illustrating the general principle we reveal: By varying the shape of a substrate, Nature can control the diffusive time scales in a microenvironment without changing the bare substrate properties.

  13. Impact of morphology on diffusive dynamics on curved surfaces

    Science.gov (United States)

    Kusters, Remy; Storm, Cornelis

    2014-03-01

    Diffusive processes on nonplanar substrates are deeply relevant for cellular function and transport and increasingly used to probe and characterize the behavior of proteins in membranes. We present analytical and numerical analyses of in-plane diffusion of discrete particles on curved geometries reflecting various generic motifs in biology and explore, in particular, the effect that the shape of the substrate has on the characteristic time scales of diffusive processes. To this end, we consider both collective measures (the relaxation of concentration profiles towards equilibrium) and single-particle measures (escape rates and first passage times of individual diffusing molecules): the first relevant for the correct interpretation of FRAP experiments in curved environments; the second, for single-particle tracking probes. Each of these measures is sensitively affected by the morphology of the substrate, and we find that the exit rate out of a domain is not uniquely set by the size of its boundary, illustrating the general principle we reveal: By varying the shape of a substrate, Nature can control the diffusive time scales in a microenvironment without changing the bare substrate properties.

  14. First-passage dynamics of obstructed tracer particle diffusion in one-dimensional systems

    OpenAIRE

    Forsling, Robin; Sanders, Lloyd; Ambjörnsson, Tobias; Lizana, Ludvig

    2014-01-01

    The standard setup for single-file diffusion is diffusing particles in one dimension which cannot overtake each other, where the dynamics of a tracer (tagged) particle is of main interest. In this article we generalise this system and investigate first-passage properties of a tracer particle when flanked by crowder particles which may, besides diffuse, unbind (rebind) from (to) the one-dimensional lattice with rates $k_{\\rm off}$ ($k_{\\rm on}$). The tracer particle is restricted to diffuse wi...

  15. Diffusion in energy materials: Governing dynamics from atomistic modelling

    Science.gov (United States)

    Parfitt, D.; Kordatos, A.; Filippatos, P. P.; Chroneos, A.

    2017-09-01

    Understanding diffusion in energy materials is critical to optimising the performance of solid oxide fuel cells (SOFCs) and batteries both of which are of great technological interest as they offer high efficiency for cleaner energy conversion and storage. In the present review, we highlight the insights offered by atomistic modelling of the ionic diffusion mechanisms in SOFCs and batteries and how the growing predictive capability of high-throughput modelling, together with our new ability to control compositions and microstructures, will produce advanced materials that are designed rather than chosen for a given application. The first part of the review focuses on the oxygen diffusion mechanisms in cathode and electrolyte materials for SOFCs and in particular, doped ceria and perovskite-related phases with anisotropic structures. The second part focuses on disordered oxides and two-dimensional materials as these are very promising systems for battery applications.

  16. Numerical Diffusion Effect in Dynamic Simulation of Thermohydraulic Systems

    International Nuclear Information System (INIS)

    Zanocco, Pablo; Gimenez, Marcelo; Delmastro, Dario

    2003-01-01

    In this work, the behavior of the explicit - up-wind method is studied in two phase natural convection circuit, near the instabilities boundaries.The effect of the numerical diffusion of the scheme upon the system stability is evaluated by means of linearization by small perturbations.The results are compared with a non-diffusive method, in the frequency domain, that solves analytically the linearized equations around a steady state condition.Moreover, a conservation equation transport model using the method of characteristics is implemented and studied.This method is compared with the explicit - up-wind scheme and it is found that it significantly reduces numerical diffusion in the equations solution. Several advantages are visualized for particular cases

  17. Dynamics of information diffusion and its applications on complex networks

    Science.gov (United States)

    Zhang, Zi-Ke; Liu, Chuang; Zhan, Xiu-Xiu; Lu, Xin; Zhang, Chu-Xu; Zhang, Yi-Cheng

    2016-09-01

    The ongoing rapid expansion of the Word Wide Web (WWW) greatly increases the information of effective transmission from heterogeneous individuals to various systems. Extensive research for information diffusion is introduced by a broad range of communities including social and computer scientists, physicists, and interdisciplinary researchers. Despite substantial theoretical and empirical studies, unification and comparison of different theories and approaches are lacking, which impedes further advances. In this article, we review recent developments in information diffusion and discuss the major challenges. We compare and evaluate available models and algorithms to respectively investigate their physical roles and optimization designs. Potential impacts and future directions are discussed. We emphasize that information diffusion has great scientific depth and combines diverse research fields which makes it interesting for physicists as well as interdisciplinary researchers.

  18. 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.

  19. Gas dynamic analysis of the performance of diffuser augmented ...

    Indian Academy of Sciences (India)

    Abstract. A diffuser augmented wind turbine (DAWT) is considered an important application of the advanced concepts to improve the attractiveness of wind energy. The present paper aims to find a theoretical demonstration of. DAWT by using theoretical analysis, mathematical models, assumptions, estimations and ...

  20. Gas dynamic analysis of the performance of diffuser augmented ...

    Indian Academy of Sciences (India)

    A diffuser augmented wind turbine (DAWT) is considered an important application of the advanced concepts to improve the attractiveness of wind energy. The present paper aims to find a theoretical demonstration of DAWT by using theoretical analysis, mathematical models, assumptions, estimations and maximization of ...

  1. Lattice dynamical investigations on Zn diffusion in zinc oxide

    Indian Academy of Sciences (India)

    ek (q, λ) exp (iq·r), (9) where e is the polarization vector. Phonon frequencies of the host lattice are calculated from the modified rigid ion model and the Green's functions are also obtained (Maradudin et al 1971), which are essential for the calculations of the displacements of the diffusing and other atoms and also the jump ...

  2. Langevin dynamics modeling of the water diffusion tensor in partially aligned collagen networks

    Science.gov (United States)

    Powell, Sean K.; Momot, Konstantin I.

    2012-09-01

    In this work, a Langevin dynamics model of the diffusion of water in articular cartilage was developed. Numerical simulations of the translational dynamics of water molecules and their interaction with collagen fibers were used to study the quantitative relationship between the organization of the collagen fiber network and the diffusion tensor of water in model cartilage. Langevin dynamics was used to simulate water diffusion in both ordered and partially disordered cartilage models. In addition, an analytical approach was developed to estimate the diffusion tensor for a network comprising a given distribution of fiber orientations. The key findings are that (1) an approximately linear relationship was observed between collagen volume fraction and the fractional anisotropy of the diffusion tensor in fiber networks of a given degree of alignment, (2) for any given fiber volume fraction, fractional anisotropy follows a fiber alignment dependency similar to the square of the second Legendre polynomial of cos(θ), with the minimum anisotropy occurring at approximately the magic angle (θMA), and (3) a decrease in the principal eigenvalue and an increase in the transverse eigenvalues is observed as the fiber orientation angle θ progresses from 0∘ to 90∘. The corresponding diffusion ellipsoids are prolate for θθMA. Expansion of the model to include discrimination between the combined effects of alignment disorder and collagen fiber volume fraction on the diffusion tensor is discussed.

  3. Scaling parameters for dynamic diffusion-reaction over porous catalysts

    OpenAIRE

    Herz, RK

    2015-01-01

    © 2015 American Chemical Society. The effect of diffusion resistance in porous solid catalysts on reaction rate during periodic cycling of CO concentration is shown for CO oxidation over Pt/Al 2 O 3 by numerical simulation. At some cycling frequencies, the average reaction rate during cycling is higher than the steady-state rate at the mean CO concentration, as expected for this nonlinear, reactant-inhibited reaction. In order to identify major aspects of dy...

  4. Modeling radiation belt electron dynamics during GEM challenge intervals with the DREAM3D diffusion model

    Science.gov (United States)

    Tu, Weichao; Cunningham, G. S.; Chen, Y.; Henderson, M. G.; Camporeale, E.; Reeves, G. D.

    2013-10-01

    a response to the Geospace Environment Modeling (GEM) "Global Radiation Belt Modeling Challenge," a 3D diffusion model is used to simulate the radiation belt electron dynamics during two intervals of the Combined Release and Radiation Effects Satellite (CRRES) mission, 15 August to 15 October 1990 and 1 February to 31 July 1991. The 3D diffusion model, developed as part of the Dynamic Radiation Environment Assimilation Model (DREAM) project, includes radial, pitch angle, and momentum diffusion and mixed pitch angle-momentum diffusion, which are driven by dynamic wave databases from the statistical CRRES wave data, including plasmaspheric hiss, lower-band, and upper-band chorus. By comparing the DREAM3D model outputs to the CRRES electron phase space density (PSD) data, we find that, with a data-driven boundary condition at Lmax = 5.5, the electron enhancements can generally be explained by radial diffusion, though additional local heating from chorus waves is required. Because the PSD reductions are included in the boundary condition at Lmax = 5.5, our model captures the fast electron dropouts over a large L range, producing better model performance compared to previous published results. Plasmaspheric hiss produces electron losses inside the plasmasphere, but the model still sometimes overestimates the PSD there. Test simulations using reduced radial diffusion coefficients or increased pitch angle diffusion coefficients inside the plasmasphere suggest that better wave models and more realistic radial diffusion coefficients, both inside and outside the plasmasphere, are needed to improve the model performance. Statistically, the results show that, with the data-driven outer boundary condition, including radial diffusion and plasmaspheric hiss is sufficient to model the electrons during geomagnetically quiet times, but to best capture the radiation belt variations during active times, pitch angle and momentum diffusion from chorus waves are required.

  5. 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.

  6. Global dynamics of a reaction-diffusion system

    Directory of Open Access Journals (Sweden)

    Yuncheng You

    2011-02-01

    Full Text Available In this work the existence of a global attractor for the semiflow of weak solutions of a two-cell Brusselator system is proved. The method of grouping estimation is exploited to deal with the challenge in proving the absorbing property and the asymptotic compactness of this type of coupled reaction-diffusion systems with cubic autocatalytic nonlinearity and linear coupling. It is proved that the Hausdorff dimension and the fractal dimension of the global attractor are finite. Moreover, the existence of an exponential attractor for this solution semiflow is shown.

  7. Calculation of diffusion coefficient of long chain molecules using molecular dynamics

    Science.gov (United States)

    Chakraborty, Tanmoy; Hens, Abhiram; Kulashrestha, Shashank; Chandra Murmu, Naresh; Banerjee, Priyabrata

    2015-05-01

    Molecular dynamics (MD) is a powerful tool for calculating several thermo-physical properties of wide range of materials. In this study, the diffusivities (D) of two widely used long chain molecules MHA and ODT are calculated at various temperatures using MD simulations coupled with Einstein relationship. Four different kinds of forcefields COMPASS, UFF, CVFF and PCFF are employed in the MD simulation and the results are compared. Diffusivity values are evaluated in a humid environment in presence of water molecules.

  8. Strong field line shapes and photon statistics from a single molecule under anomalous noise.

    Science.gov (United States)

    Sanda, Frantisek

    2009-10-01

    We revisit the line-shape theory of a single molecule with anomalous stochastic spectral diffusion. Waiting time profiles for bath induced spectral jumps in the ground and excited states become different when a molecule, probed by continuous-wave laser field, reaches the steady state. This effect is studied for the stationary dichotomic continuous-time-random-walk spectral diffusion of a single two-level chromophore with power-law distributions of waiting times. Correlated waiting time distributions, line shapes, two-point fluorescence correlation function, and Mandel Q parameter are calculated for arbitrary magnitude of laser field. We extended previous weak field results and examined the breakdown of the central limit theorem in photon statistics, indicated by asymptotic power-law growth of Mandel Q parameter. Frequency profile of the Mandel Q parameter identifies the peaks of spectrum, which are related to anomalous spectral diffusion dynamics.

  9. 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.

  10. 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.

  11. Hydrogen bond dynamics and vibrational spectral diffusion in ...

    Indian Academy of Sciences (India)

    For example, Chapados and cowork- ers10 carried out Fourier transform infrared attenuated total reflectance spectroscopic studies of acetone–water mixtures. These authors found that the OH stretch band is blue shifted as acetone is added to water. Recently,. Bakker and coworkers16 looked at the dynamical prop-.

  12. 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.

  13. An Anomalous Noise Events Detector for Dynamic Road Traffic Noise Mapping in Real-Life Urban and Suburban Environments

    Directory of Open Access Journals (Sweden)

    Joan Claudi Socoró

    2017-10-01

    Full Text Available One of the main aspects affecting the quality of life of people living in urban and suburban areas is their continued exposure to high Road Traffic Noise (RTN levels. Until now, noise measurements in cities have been performed by professionals, recording data in certain locations to build a noise map afterwards. However, the deployment of Wireless Acoustic Sensor Networks (WASN has enabled automatic noise mapping in smart cities. In order to obtain a reliable picture of the RTN levels affecting citizens, Anomalous Noise Events (ANE unrelated to road traffic should be removed from the noise map computation. To this aim, this paper introduces an Anomalous Noise Event Detector (ANED designed to differentiate between RTN and ANE in real time within a predefined interval running on the distributed low-cost acoustic sensors of a WASN. The proposed ANED follows a two-class audio event detection and classification approach, instead of multi-class or one-class classification schemes, taking advantage of the collection of representative acoustic data in real-life environments. The experiments conducted within the DYNAMAP project, implemented on ARM-based acoustic sensors, show the feasibility of the proposal both in terms of computational cost and classification performance using standard Mel cepstral coefficients and Gaussian Mixture Models (GMM. The two-class GMM core classifier relatively improves the baseline universal GMM one-class classifier F1 measure by 18.7% and 31.8% for suburban and urban environments, respectively, within the 1-s integration interval. Nevertheless, according to the results, the classification performance of the current ANED implementation still has room for improvement.

  14. Diffusive long-time behavior of Kawasaki dynamics

    CERN Document Server

    Cancrin, C; Roberto, C

    2003-01-01

    If $P_t$ is the semigroup associated with the Kawasaki dynamics on $\\Z^d$ and $f$ is a local function on the configuration space, then the variance with respect to the invariant measure $\\mu$ of $P_t f$ goes to zero as $t\\to\\oo$ faster than $t^{-d/2+\\e}$, with $\\e$ arbitrarily small. The fundamental assumption is a mixing condition on the interaction of Dobrushin and Schlosman type.

  15. Dynamical effect of confining wall on diffusion of fluid at nanoscale

    International Nuclear Information System (INIS)

    Devi, Reena; Srivastava, Sunita; Tankeshwar, K.

    2016-01-01

    The dynamical effect of wall-fluid interaction on diffusion in direction perpendicular to confining walls has been studied, theoretically. The properties of fluids which incorporates the effect of static changes in confined fluid has been modified to include, directly, the dynamical effects of wall on the motion of particles. The results obtained for VACF in perpendicular direction of channel of width of two atomic diameters are presented and compared with the molecular dynamic (MD) simulation results as well as the results obtained without including the dynamical effect.

  16. 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.

  17. Probabilistic dynamics of some jump-diffusion systems.

    Science.gov (United States)

    Daly, Edoardo; Porporato, Amilcare

    2006-02-01

    Some exact solutions to the forward Chapman-Kolmogorov equation are derived for processes driven by both Gaussian and compound Poisson (shot) noise. The combined action of these two forms of white noise is analyzed in transient and equilibrium conditions for different jump distributions and additive Gaussian noise. Steady-state distributions with power-law tails are obtained for exponentially distributed jumps and multiplicative linear Gaussian noise. Two applications are discussed: namely, the virtual waiting-time or Takàcs process including Gaussian oscillations and a simplified model of soil moisture dynamics, in which rainfall is modeled as a compound Poisson process and fluctuations in potential evapotranspiration are Gaussian.

  18. Interrelation between structural and ion-diffusion dynamic characteristics of α-AgI

    International Nuclear Information System (INIS)

    Polyakov, V.I.

    1998-01-01

    Interrelation of structural and dynamic characteristics of α-AgI superionic conductor is discussed in the framework of the theory of reaction absolute rates. Temperature dependences of structural (iodine-silver root-mean-square distance) and dynamic (diffusion coefficient of silver ions, characteristic time) characteristics have been calculated using statistical sums relating to silver ion states involved in retarded-rotational motion. A good agreement between calculated and experimental data is shown

  19. Role of dynamic contrast-enhanced and diffusion weighted MRI in evaluation of hepatocellular carcinoma after chemoembolization

    Directory of Open Access Journals (Sweden)

    Ahmed Ebraheem Ebeed

    2017-12-01

    Conclusion: Dynamic and diffusion MRI complete each other in assessment of HCC response to therapy, especially in those who cannot properly hold their breath that cause degradation of the dynamic MR quality.

  20. 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.

  1. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-09-01

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

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

    International Nuclear Information System (INIS)

    Dobroserdova, A.B.; Kantorovich, S.S.

    2017-01-01

    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.

  4. 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.

  5. 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

  6. 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.

  7. Macromolecular Crowding Studies of Amino Acids Using NMR Diffusion Measurements and Molecular Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    Amninder S Virk

    2015-02-01

    Full Text Available Molecular crowding occurs when the total concentration of macromolecular species in a solution is so high that a considerable proportion of the volume is physically occupied and therefore not accessible to other molecules. This results in significant changes in the solution properties of the molecules in such systems. Macromolecular crowding is ubiquitous in biological systems due to the generally high intracellular protein concentrations. The major hindrance to understanding crowding is the lack of direct comparison of experimental data with theoretical or simulated data. Self-diffusion is sensitive to changes in the molecular weight and shape of the diffusing species, and the available diffusion space (i.e., diffusive obstruction. Consequently, diffusion measurements are a direct means for probing crowded systems including the self-association of molecules. In this work, nuclear magnetic resonance measurements of the self-diffusion of four amino acids (glycine, alanine, valine and phenylalanine up to their solubility limit in water were compared directly with molecular dynamics simulations. The experimental data were then analyzed using various models of aggregation and obstruction. Both experimental and simulated data revealed that the diffusion of both water and the amino acids were sensitive to the amino acid concentration. The direct comparison of the simulated and experimental data afforded greater insights into the aggregation and obstruction properties of each amino acid.

  8. Altered dynamics of broad-leaved tree species in a Chinese subtropical montane mixed forest: the role of an anomalous extreme 2008 ice storm episode.

    Science.gov (United States)

    Ge, Jielin; Xiong, Gaoming; Wang, Zhixian; Zhang, Mi; Zhao, Changming; Shen, Guozhen; Xu, Wenting; Xie, Zongqiang

    2015-04-01

    Extreme climatic events can trigger gradual or abrupt shifts in forest ecosystems via the reduction or elimination of foundation species. However, the impacts of these events on foundation species' demography and forest dynamics remain poorly understood. Here we quantified dynamics for both evergreen and deciduous broad-leaved species groups, utilizing a monitoring permanent plot in a subtropical montane mixed forest in central China from 2001 to 2010 with particular relevance to the anomalous 2008 ice storm episode. We found that both species groups showed limited floristic alterations over the study period. For each species group, size distribution of dead individuals approximated a roughly irregular and flat shape prior to the ice storm and resembled an inverse J-shaped distribution after the ice storm. Furthermore, patterns of mortality and recruitment displayed disequilibrium behaviors with mortality exceeding recruitment for both species groups following the ice storm. Deciduous broad-leaved species group accelerated overall diameter growth, but the ice storm reduced evergreen small-sized diameter growth. We concluded that evergreen broad-leaved species were more susceptible to ice storms than deciduous broad-leaved species, and ice storm events, which may become more frequent with climate change, might potentially threaten the perpetuity of evergreen-dominated broad-leaved forests in this subtropical region in the long term. These results underscore the importance of long-term monitoring that is indispensible to elucidate causal links between forest dynamics and climatic perturbations.

  9. Anomalous lattice behavior of vanadium pentaoxide (V2O5): X-ray diffraction, inelastic neutron scattering and ab initio lattice dynamics.

    Science.gov (United States)

    Singh, Baltej; Gupta, Mayanak Kumar; Mishra, Sanjay Kumar; Mittal, Ranjan; Sastry, P U; Rols, Stephane; Chaplot, Samrath Lal

    2017-07-21

    We present structural and dynamical studies of layered vanadium pentaoxide (V 2 O 5 ). The temperature dependent X-ray diffraction measurements reveal highly anisotropic and anomalous thermal expansion from 12 K to 853 K. The results do not show any evidence of structural phase transition or decomposition of α-V 2 O 5 , contrary to the previous transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) experiments. The inelastic neutron scattering measurements performed up to 673 K corroborate the result of our X-ray diffraction measurements. The analysis of the experimental data is carried out using ab initio lattice dynamics calculations. The important role of van der Waals dispersion and Hubbard interactions in the structure and dynamics is revealed through ab initio calculations. The calculated anisotropic thermal expansion behavior agrees well with temperature dependent X-ray diffraction. The mechanism of anisotropic thermal expansion and anisotropic linear compressibility is discussed in terms of calculated anisotropy in the Grüneisen parameters and elastic coefficients. The calculated Gibbs free energy in various phases of V 2 O 5 is used to understand the high pressure and temperature phase diagram of the compound.

  10. Molecular-dynamics analysis of the diffusion of molecular hydrogen in all-silica sodalite

    NARCIS (Netherlands)

    Van den Berg, A.W.C.; Bromley, S.T.; Flikkema, E.; Wojdel, J.; Maschmeyer, T.; Jansen, J.C.

    2004-01-01

    In order to investigate the technical feasibility of crystalline porous silicates as hydrogen storage materials, the self-diffusion of molecular hydrogen in all-silica sodalite is modeled using large-scale classical molecular-dynamics simulations employing full lattice flexibility. In the

  11. Transport diffusion of argon in AIPO4-5 from equilibrium molecular dynamics simulations

    NARCIS (Netherlands)

    Hoogenboom, Jacob; Tepper, H.L.; van der Vegt, N.F.A.; Briels, Willem J.

    2000-01-01

    Transport diffusion of argon in the unidirectional channels of the molecular sieve AlPO4-5 has been studied using molecular dynamics simulations. Using the Green–Kubo formalism, this nonequilibrium property is, for the first time, extracted from just one equilibrium simulation. Apart from the

  12. 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.

  13. 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

  14. 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.

  15. Dynamics and distribution of public and private research and extension roles for technological innovation and diffusion

    NARCIS (Netherlands)

    Eastwood, C.; Klerkx, L.; Nettle, R.

    2017-01-01

    Precision farming technologies represent an innovation challenge in terms of their diffusion into farming practice, and create a new dynamic for research and extension roles. The purpose of this paper is to examine the interaction and distribution of research and extension roles of public,

  16. Observed anomalous changes on diffuse CO2 emission at the summit crater of Teide volcano (Tenerife, Canary Islands, Spain): a geochemical evidence of volcanic unrest?

    Science.gov (United States)

    Perez, N. M.; Melián, G.; Asensio-Ramos, M.; Padrón, E.; Alonso Cótchico, M.; Hernández, P. A.; Rodríguez, F.; D'Auria, L.; García-Merino, M.; Padilla, G. D.; Burns, F.; Amonte, C.; García, E.; García-Hernández, R.; Barrancos, J.; Morales-Ocaña, C.; Calvo, D.; Vela, V.; Pérez, A.

    2017-12-01

    Tenerife (2034 km2) is the largest of the Canary Islands and hosts a central volcanic complex, Las Cañadas, which is characterized by the eruption of differentiated magmas. Laying inside Las Cañadas a twin stratovolcanoes system Pico Viejo and Teide, has been developed. Although Teide volcano shows weak fumarolic system, volcanic gas emissions observed in the summit area are mainly controlled by high rates of diffuse CO2 degassing. Soil CO2 efflux surveys have been performed at the summit crater of Teide volcano since 1999 according to the accumulation chamber method to monitor changes of volcanic activity. Soil CO2 efflux and soil temperature have been measured in sites homogeneously distributed within an area of about 6,972 m2 inside the summit crater. Historical seismic activity in Tenerife has been mainly characterized by low- to moderate-magnitude events (M volcano. Since November 2016 more than 100 small magnitude earthquakes, with typical features of the microseismicity of hydrothermal systems, at depths usually ranging between 5 and 15 km located beneath Teide volcano have been recorded. On January 6th 2017 a M=2.5 earthquake was recorded in the area, being one of the strongest events recorded since 2004. Between October 11 and December 13, 2016, a continuous increase on the diffuse CO2 emission was registered preceding the occurrence of the 2.5 seismic event, from 21.3±2.0 to 101.7±20.7 t d-1. In Febraury 2017, the diffuse CO2 emission rate showed a maximum value (176±35 t/d) and has remained at relatively high values in the range 67-176 t/d. The observed increase on the diffuse CO2 emission, likely due to the increase of fluid pressure in the hydrothermal-magmatic system of Tenerife, might be a geochemical evidence of a future volcanic unrest at Tenerife Island.

  17. 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

    Energy Technology Data Exchange (ETDEWEB)

    Biswas, Pranab; Banerji, P., E-mail: pallab@matsc.iitkgp.ernet.in [Materials Science Centre, Indian Institute of Technology, Kharagpur 721 302 (India); Halder, Nripendra N. [Advanced Technology Development Centre, Indian Institute of Technology, Kharagpur 721 302 (India); Kundu, Souvik [School of Electrical Engineering and Computer Science, Oregon State University, 1148 Kelley Engineering Center, Corvallis, OR 97331–5501 (United States); Shripathi, T.; Gupta, M. [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 001 (India)

    2014-05-15

    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 × 10{sup 18} cm{sup −3} and 2.8 × 10{sup 19} cm{sup −3} respectively, whereas those annealed at 800 ºC showed n-type conductivity with a carrier concentration of 6.5 × 10{sup 16} cm{sup −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, (As{sub Zn}–2V{sub Zn}), by substituting Zn atoms (As{sub Zn}) and thereby creating two zinc vacancies (V{sub Zn}). 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, Ga{sub Zn}. 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.

  18. 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.

  19. 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.

  20. 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.

  1. An elemental mercury diffusion coefficient for natural waters determined by molecular dynamics simulation.

    Science.gov (United States)

    Kuss, Joachim; Holzmann, Jörg; Ludwig, Ralf

    2009-05-01

    Mercury is a priority pollutant as its mobility between the hydrosphere and the atmosphere threatens the biosphere globally. The air-water gas transfer of elemental mercury (Hg0) is controlled by its diffusion through the water-side boundary layer and thus by its diffusion coefficient, D(Hg), the value of which, however, has not been established. Here, the diffusion of Hg0 in water was modeled by molecular dynamics (MD) simulation and the diffusion coefficient subsequently determined. Therefore the movement of either Hg(0) or xenon and 1000 model water molecules (TIP4P-Ew) were traced for time spans of 50 ns. The modeled D(Xe) of the monatomic noble gas agreed well with measured data; thus, MD simulation was assumed to be a reliable approach to determine D(Hg) for monatomic Hg(0) as well. Accordingly, Hg(0) diffusion was then simulated for freshwater and seawater, and the data were well-described by the equation of Eyring. The activation energies for the diffusion of Hg0 in freshwater was 17.0 kJ mol(-1) and in seawater 17.8 kJ mol(-1). The newly determined D(Hg) is clearly lower than the one previously used for an oceanic mercury budget. Thus, its incorporation into the model should lead to lower estimates of global ocean mercury emissions.

  2. 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

  3. Chemical activity induces dynamical force with global structure in a reaction-diffusion-convection system.

    Science.gov (United States)

    Mahara, Hitoshi; Okada, Koichi; Nomura, Atsushi; Miike, Hidetoshi; Sakurai, Tatsunari

    2009-07-01

    We found a rotating global structure induced by the dynamical force of local chemical activity in a thin solution layer of excitable Belousov-Zhabotinsky reaction coupled with diffusion. The surface flow and deformation associated with chemical spiral waves (wavelength about 1 mm) represents a global unidirectional structure and a global tilt in the entire Petri dish (100 mm in diameter), respectively. For these observations, we scanned the condition of hierarchal pattern selection. From this result, the bromomalonic acid has an important role to induce the rotating global structure. An interaction between a reaction-diffusion process and a surface-tension-driven effect leads to such hierarchal pattern with different scales.

  4. 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.}

  5. 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.

  6. 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.

  7. Calculation of diffusion coefficients for carbon dioxide + solute system near the critical conditions by non-equilibrium molecular dynamics simulation

    OpenAIRE

    Higashi, Hidenori; Oda, Tsuyoshi; Iwai, Yoshio; Arai, Yasuhiko

    2004-01-01

    A non-equilibrium molecular dynamics simulation was adopted to calculate the diffusion coefficients for a pseudo-binary system of carbon dioxide and for a carbon dioxide + solute system at 308.2 and 318.2K. The calculated results were compared with the self- and tracer diffusion coefficients calculated by an equilibrium molecular dynamics simulation. The simulated results for the pseudo-binary system of carbon dioxide by the non-equilibrium molecular dynamics simulation are in good agreement ...

  8. Compartmentation of membrane processes and nucleotide dynamics in diffusion-restricted cardiac cell microenvironment

    Science.gov (United States)

    Alekseev, Alexey E.; Reyes, Santiago; Selivanov, Vitaly A.; Dzeja, Petras P.; Terzic, Andre

    2011-01-01

    Orchestrated excitation–contraction coupling in heart muscle requires adequate spatial arrangement of systems responsible for ion movement and metabolite turnover. Co-localization of regulatory and transporting proteins into macromolecular complexes within an environment of microanatomical cell components raises intracellular diffusion barriers that hamper the mobility of metabolites and signaling molecules. Compared to substrate diffusion in the cytosol, diffusional restrictions underneath the sarcolemma are much larger and could impede ion and nucleotide movement by a factor of 103–105. Diffusion barriers thus seclude metabolites within the submembrane space enabling rapid and vectorial effector targeting, yet hinder energy supply from the bulk cytosolic space implicating the necessity for a shunting transfer mechanism. Here, we address principles of membrane protein compartmentation, phosphotransfer enzyme-facilitated interdomain energy transfer, and nucleotide signal dynamics at the subsarcolemma–cytosol interface. This article is part of a Special Issue entitled ‘Local Signaling in Myocytes’. PMID:21704043

  9. 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

  10. 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.

  11. 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

  12. 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.

  13. 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

  14. 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.

  15. Molecular dynamics studies of irradiation effects on hydrogen isotope diffusion through nickel crystals and grain boundaries.

    Science.gov (United States)

    Zhou, X W; Dingreville, R; Karnesky, R A

    2017-12-20

    Experiments indicated that tritium permeation in 316 austenitic stainless steel is enhanced by a factor of ∼2-5 after irradiation as compared to the ex-reactor results. To understand this enhancement, we have performed extensive molecular dynamics simulations to study the effects of both the grain boundary structure (Σ3{111}, Σ5{100} and Σ11{311}) and the nature of point defects (vacancy, interstitial, and Frenkel pair) on hydrogen diffusivities in an exemplar fcc metal (nickel). By deriving diffusivities from mean square displacement, all possible atomic jump paths encountered during real diffusion are realistically sampled. By performing extremely long simulations, the statistical errors typically associated with this method are also significantly reduced. We found that within grains, interstitial defects increase diffusivity whereas vacancies have almost no effects. This mechanism might explain hydrogen permeation enhancements in irradiated materials with coarse grains. The largest increase in hydrogen diffusivity was found at a certain combination of grain boundary and point defect. This suggests that permeability of materials with finer grains can also be enhanced by irradiation depending on whether the grain boundary character is skewed. Our results shed new light on the enhancement of tritium permeation in 316 stainless steels during reactor operations.

  16. 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.

  17. On the Dynamics of the Self-organized Structures in a Low-Temperature Diffusion Plasma

    International Nuclear Information System (INIS)

    Talasman, S.J.

    1999-01-01

    In this paper we investigate the dynamics of self organized space charge structures a in low-temperature diffusion plasma, in order to see what are the processes responsible for the appearance of such structures. This is performed through the time-resolved axial distributions of the light emitted from the plasma and through a particular cross section of the phase-space. One obtains that excitations, de-excitations and ionizations are implied in both the transient regimes of the formation of these structures, and the oscillating steady states of them. On the other hand it was found that the dynamics of such structures verify the KAM theorem. (author)

  18. 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.

  19. Brownian dynamics simulations of the self- and collective rotational diffusion coefficients of rigid long thin rods

    Science.gov (United States)

    Tao, Yu-Guo; den Otter, W. K.; Padding, J. T.; Dhont, J. K. G.; Briels, W. J.

    2005-06-01

    Recently a microscopic theory for the dynamics of suspensions of long thin rigid rods was presented, confirming and expanding the well-known theory by Doi and Edwards [The Theory of Polymer Dynamics (Clarendon, Oxford, 1986)] and Kuzuu [J. Phys. Soc. Jpn. 52, 3486 (1983)]. Here this theory is put to the test by comparing it against computer simulations. A Brownian dynamics simulation program was developed to follow the dynamics of the rods, with a length over a diameter ratio of 60, on the Smoluchowski time scale. The model accounts for excluded volume interactions between rods, but neglects hydrodynamic interactions. The self-rotational diffusion coefficients Dr(φ) of the rods were calculated by standard methods and by a new, more efficient method based on calculating average restoring torques. Collective decay of orientational order was calculated by means of equilibrium and nonequilibrium simulations. Our results show that, for the currently accessible volume fractions, the decay times in both cases are virtually identical. Moreover, the observed decay of diffusion coefficients with volume fraction is much quicker than predicted by the theory, which is attributed to an oversimplification of dynamic correlations in the theory.

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

    Energy Technology Data Exchange (ETDEWEB)

    Nastase, Ilinca [Technical University of Civil Engineering in Bucharest, Building Services Department, 66 Avenue Pache Protopopescu, 020396, Bucharest (Romania); Meslem, Amina; El Hassan, Mouhammad, E-mail: inastase@instal.utcb.ro, E-mail: ameslem@univ-lr.fr [LEPTIAB, University of La Rochelle, Pole Sciences et Technologie, avenue Michel Crepeau, 17042 La Rochelle (France)

    2011-12-01

    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.

  1. 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.

  2. 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...

  3. Horizon universality and anomalous conductivities

    Energy Technology Data Exchange (ETDEWEB)

    Gürsoy, Umut [Institute for Theoretical Physics and Spinoza Institute, Utrecht University,3508 TD Utrecht (Netherlands); Tarrío, Javier [Departament de Física Fonamental and Institut de Ciències del Cosmos,Universitat de Barcelona, Martí i Franquès 1, ES-08028, Barcelona (Spain)

    2015-10-08

    We show that the value of chiral conductivities associated with anomalous transport is universal in a general class of strongly coupled quantum field theories that admit a gravitational holographic dual in the large N limit. Our result only applies to theories in the presence of external gauge fields with no dynamical gluon fields. On the gravity side the result follows from near horizon universality of the fluctuation equations, similar to the holographic calculation of the shear viscosity.

  4. Development of a dynamic operation permission system to support operations in an anomalous situation of PWR plants

    International Nuclear Information System (INIS)

    Gofuku, Akio; Nishio, Takuya; Ohi, Tadashi; Ito, Koji

    2005-01-01

    This paper describes a proto-type dynamic operation permission system to avoid commission errors of operators. The system lies between CRT-based operation panels and plant control systems and checks an operation by operators if it follows typical operation procedure described in operation manuals and it has suitable effects on plant condition. The applicability of the proto-type system is demonstrated through the application to the recovery operations of a steam generator tube rupture accident of a three-loop pressurized water reactor plant

  5. Rotational diffusion affects the dynamical self-assembly pathways of patchy particles

    Science.gov (United States)

    Newton, Arthur C.; Groenewold, Jan; Kegel, Willem K.; Bolhuis, Peter G.

    2015-01-01

    Predicting the self-assembly kinetics of particles with anisotropic interactions, such as colloidal patchy particles or proteins with multiple binding sites, is important for the design of novel high-tech materials, as well as for understanding biological systems, e.g., viruses or regulatory networks. Often stochastic in nature, such self-assembly processes are fundamentally governed by rotational and translational diffusion. Whereas the rotational diffusion constant of particles is usually considered to be coupled to the translational diffusion via the Stokes–Einstein relation, in the past decade it has become clear that they can be independently altered by molecular crowding agents or via external fields. Because virus capsids naturally assemble in crowded environments such as the cell cytoplasm but also in aqueous solution in vitro, it is important to investigate how varying the rotational diffusion with respect to transitional diffusion alters the kinetic pathways of self-assembly. Kinetic trapping in malformed or intermediate structures often impedes a direct simulation approach of a kinetic network by dramatically slowing down the relaxation to the designed ground state. However, using recently developed path-sampling techniques, we can sample and analyze the entire self-assembly kinetic network of simple patchy particle systems. For assembly of a designed cluster of patchy particles we find that changing the rotational diffusion does not change the equilibrium constants, but significantly affects the dynamical pathways, and enhances (suppresses) the overall relaxation process and the yield of the target structure, by avoiding (encountering) frustrated states. Besides insight, this finding provides a design principle for improved control of nanoparticle self-assembly. PMID:26621742

  6. 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.

  7. A generalized mean-squared displacement from inelastic fixed window scans of incoherent neutron scattering as a model-free indicator of anomalous diffusion confinement

    International Nuclear Information System (INIS)

    Roosen-Runge, F.; Seydel, T.

    2015-01-01

    Elastic fixed window scans of incoherent neutron scattering are an established and frequently employed method to study dynamical changes, usually over a broad temperature range or during a process such as a conformational change in the sample. In particular, the apparent mean-squared displacement can be extracted via a model-free analysis based on a solid physical interpretation as an effective amplitude of molecular motions. Here, we provide a new account of elastic and inelastic fixed window scans, defining a generalized mean-squared displacement for all fixed energy transfers. We show that this generalized mean-squared displacement in principle contains all information on the real mean-square displacement accessible in the instrumental time window. The derived formula provides a clear understanding of the effects of instrumental resolution on the apparent mean-squared displacement. Finally, we show that the generalized mean-square displacement can be used as a model-free indicator on confinement effects within the instrumental time window. (authors)

  8. Communication: Diverse nanoscale cluster dynamics: Diffusion of 2D epitaxial clusters

    Science.gov (United States)

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

    2017-11-01

    The dynamics of nanoscale clusters can be distinct from macroscale behavior described by continuum formalisms. For diffusion of 2D clusters of N atoms in homoepitaxial systems mediated by edge atom hopping, macroscale theory predicts simple monotonic size scaling of the diffusion coefficient, DN ˜ N-β, with β = 3/2. However, modeling for nanoclusters on metal(100) surfaces reveals that slow nucleation-mediated diffusion displaying weak size scaling β < 1 occurs for "perfect" sizes Np = L2 and L(L+1) for integer L = 3,4,… (with unique square or near-square ground state shapes), and also for Np+3, Np+4,…. In contrast, fast facile nucleation-free diffusion displaying strong size scaling β ≈ 2.5 occurs for sizes Np+1 and Np+2. DN versus N oscillates strongly between the slowest branch (for Np+3) and the fastest branch (for Np+1). All branches merge for N = O(102), but macroscale behavior is only achieved for much larger N = O(103). This analysis reveals the unprecedented diversity of behavior on the nanoscale.

  9. Diffusive nature of xenon anesthetic changes properties of a lipid bilayer: molecular dynamics simulations.

    Science.gov (United States)

    Yamamoto, Eiji; Akimoto, Takuma; Shimizu, Hiroyuki; Hirano, Yoshinori; Yasui, Masato; Yasuoka, Kenji

    2012-08-02

    Effects of general anesthesia can be controllable by the ambient pressure. We perform molecular dynamics simulations for a 1-palmitoyl-2-oleoyl phosphatidylethanolamine lipid bilayer with or without xenon molecules by changing the pressure to elucidate the mechanism of the pressure reversal of general anesthesia. According to the diffusive nature of xenon molecules in the lipid bilayer, a decrease in the orientational order of the lipid tails, an increase in the area and volume per lipid molecule, and an increase in the diffusivity of lipid molecules are observed. We show that the properties of the lipid bilayer with xenon molecules at high pressure come close to those without xenon molecules at 0.1 MPa. Furthermore, we find that xenon molecules are concentrated in the middle of the lipid bilayer at high pressures by the pushing effect and that the diffusivity of xenon molecules is suppressed. These results suggest that the pressure reversal originates from a jamming and suppression of the diffusivity of xenon molecules in lipid bilayers.

  10. Dynamic investigation of the diffusion absorption refrigeration system NH3-H2O-H2

    Directory of Open Access Journals (Sweden)

    Mohamed Izzedine Serge Adjibade

    2017-09-01

    Full Text Available This paper reports on a numerical and experimental study of a diffusion absorption refrigerator. The performance of the system is examined by computer simulation using MATLAB software and Engineering Equations Solver. A dynamic model is developed for each component of the system and solved numerically in order to predict the transient state of the diffusion absorption refrigeration. The experiment set included 0.04 m3 commercial absorption diffusion refrigerator working with the ammonia-water-hydrogen (NH3-H2O-H2 solution. The transient numerical results were validated with the experimental data. The investigations are focused on the dynamic profile of the temperature of each component. The results obtained agree with the experiment; the relative error between numerical and experimental models doesn’t exceed 15% for all temperatures of each component. The increase of the average ambient temperature from 23.04 °C to 32.56 °C causes an increase of the condensation temperature from 29.46 °C to 37.51 °C, and the best evaporation temperature obtained was 3 °C, with an ambient temperature of 23.04 °C. The results show that a minimum starting temperature of 152 °C and 63.8 W electric power are required to initiate the decrease of evaporation temperature.

  11. Dynamical diffusion and renormalization group equation for the Fermi velocity in doped graphene

    International Nuclear Information System (INIS)

    Ardenghi, J.S.; Bechthold, P.; Jasen, P.; Gonzalez, E.; Juan, A.

    2014-01-01

    The aim of this work is to study the electron transport in graphene with impurities by introducing a generalization of linear response theory for linear dispersion relations and spinor wave functions. Current response and density response functions are derived and computed in the Boltzmann limit showing that in the former case a minimum conductivity appears in the no-disorder limit. In turn, from the generalization of both functions, an exact relation can be obtained that relates both. Combining this result with the relation given by the continuity equation it is possible to obtain general functional behavior of the diffusion pole. Finally, a dynamical diffusion is computed in the quasistatic limit using the definition of relaxation function. A lower cutoff must be introduced to regularize infrared divergences which allow us to obtain a full renormalization group equation for the Fermi velocity, which is solved up to order O(ℏ 2 )

  12. Efficient Green's Function Reaction Dynamics (GFRD) simulations for diffusion-limited, reversible reactions

    Science.gov (United States)

    Bashardanesh, Zahedeh; Lötstedt, Per

    2018-03-01

    In diffusion controlled reversible bimolecular reactions in three dimensions, a dissociation step is typically followed by multiple, rapid re-association steps slowing down the simulations of such systems. In order to improve the efficiency, we first derive an exact Green's function describing the rate at which an isolated pair of particles undergoing reversible bimolecular reactions and unimolecular decay separates beyond an arbitrarily chosen distance. Then the Green's function is used in an algorithm for particle-based stochastic reaction-diffusion simulations for prediction of the dynamics of biochemical networks. The accuracy and efficiency of the algorithm are evaluated using a reversible reaction and a push-pull chemical network. The computational work is independent of the rates of the re-associations.

  13. A Study of diffusion and grain boundaries in ionic compounds by the molecular dynamic method

    International Nuclear Information System (INIS)

    Karakasidis, Theodoros

    1995-01-01

    In the first part, we present a model of variable cationic charges based on a rigid ion potential. In order to implement the model we performed static and dynamic simulations in calcium fluoride. The structural properties do not depend on the way the model is adjusted but the anion diffusion and the high frequency dielectric constant do. These results allowed to specify the criteria to adjust the variable charge model. As indicated by the behaviour of optical phonons this model introduced a supplementary polarisation mechanism to the rigid ion model. In the second part of this work, we studied the structural and diffusional behaviour of a high angle tilt grain boundary in NiO by molecular dynamics, using a usual rigid ion model. We examined structures with and without point defects between 0 K and 2500 K. The structure without defects presents always the lowest potential energy. In the others structures the defects can cluster and sometimes cause local changes in the boundary. Computer simulated images of high resolution electron microscopy, produced using these structures, present a similarity with the experimental ones. We calculated in the same boundary the diffusion coefficient of a doubly charged nickel vacancy between 2250 K and 2650 K. The atomic trajectories reveal the existence of preferential migration paths for the vacancy. The grain boundary diffusion is slightly anisotropic which is in agreement with an extrapolation of experimental results. A similar study in the volume reveals a migration energy higher than in the grain boundary. The calculated quantities allow for an estimation of the nickel diffusion acceleration due to the boundary. This acceleration is significant, but lower than the one measured by certain authors in polycrystalline, NiO; other authors studying bicrystals have not observed any acceleration. (author) [fr

  14. Dynamics of competing diffusion processes in a bias electric field: kinetic Ising model approach and phenomenological descriptions

    CERN Document Server

    Aldrin-Denny, R

    1998-01-01

    The methodology of formulating spatio-temporal diffusion-migration equations in an applied electric field for two competing diffusion processes is outlined using kinetic Ising model versions with the help of spin-exchange dynamics due to Kawasaki. The two transport processes considered here correspond to bounded displacement of species attached to supramolecular structures and electron hopping between spatially separated electron transfer active centres. The dependence of the diffusion coefficient on number density as well as the microscopic basis underlying phenomenological diffusion-migration equations are pointed out. (author)

  15. Studying Dynamic Myofiber Aggregate Reorientation in Dilated Cardiomyopathy Using In Vivo Magnetic Resonance Diffusion Tensor Imaging.

    Science.gov (United States)

    von Deuster, Constantin; Sammut, Eva; Asner, Liya; Nordsletten, David; Lamata, Pablo; Stoeck, Christian T; Kozerke, Sebastian; Razavi, Reza

    2016-10-01

    The objective of this study is to assess the dynamic alterations of myocardial microstructure and strain between diastole and systole in patients with dilated cardiomyopathy relative to healthy controls using the magnetic resonance diffusion tensor imaging, myocardial tagging, and biomechanical modeling. Dual heart-phase diffusion tensor imaging was successfully performed in 9 patients and 9 controls. Tagging data were acquired for the diffusion tensor strain correction and cardiac motion analysis. Mean diffusivity, fractional anisotropy, and myocyte aggregate orientations were compared between both cohorts. Cardiac function was assessed by left ventricular ejection fraction, torsion, and strain. Computational modeling was used to study the impact of cardiac shape on fiber reorientation and how fiber orientations affect strain. In patients with dilated cardiomyopathy, a more longitudinal orientation of diastolic myofiber aggregates was measured compared with controls. Although a significant steepening of helix angles (HAs) during contraction was found in the controls, consistent change in HAs during contraction was absent in patients. Left ventricular ejection fraction, cardiac torsion, and strain were significantly lower in the patients compared with controls. Computational modeling revealed that the dilated heart results in reduced HA changes compared with a normal heart. Reduced torsion was found to be exacerbated by steeper HAs. Diffusion tensor imaging revealed reduced reorientation of myofiber aggregates during cardiac contraction in patients with dilated cardiomyopathy relative to controls. Left ventricular remodeling seems to be an important factor in the changes to myocyte orientation. Steeper HAs are coupled with a worsening in strain and torsion. Overall, the findings provide new insights into the structural alterations in patients with dilated cardiomyopathy. © 2016 The Authors.

  16. Molecular Dynamics and Monte Carlo simulations resolve apparent diffusion rate differences for proteins confined in nanochannels

    Energy Technology Data Exchange (ETDEWEB)

    Tringe, J.W., E-mail: tringe2@llnl.gov [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA (United States); Ileri, N. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA (United States); Department of Chemical Engineering & Materials Science, University of California, Davis, CA (United States); Levie, H.W. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA (United States); Stroeve, P.; Ustach, V.; Faller, R. [Department of Chemical Engineering & Materials Science, University of California, Davis, CA (United States); Renaud, P. [Swiss Federal Institute of Technology, Lausanne, (EPFL) (Switzerland)

    2015-08-18

    Highlights: • WGA proteins in nanochannels modeled by Molecular Dynamics and Monte Carlo. • Protein surface coverage characterized by atomic force microscopy. • Models indicate transport characteristics depend strongly on surface coverage. • Results resolve of a four orders of magnitude difference in diffusion coefficient values. - Abstract: We use Molecular Dynamics and Monte Carlo simulations to examine molecular transport phenomena in nanochannels, explaining four orders of magnitude difference in wheat germ agglutinin (WGA) protein diffusion rates observed by fluorescence correlation spectroscopy (FCS) and by direct imaging of fluorescently-labeled proteins. We first use the ESPResSo Molecular Dynamics code to estimate the surface transport distance for neutral and charged proteins. We then employ a Monte Carlo model to calculate the paths of protein molecules on surfaces and in the bulk liquid transport medium. Our results show that the transport characteristics depend strongly on the degree of molecular surface coverage. Atomic force microscope characterization of surfaces exposed to WGA proteins for 1000 s show large protein aggregates consistent with the predicted coverage. These calculations and experiments provide useful insight into the details of molecular motion in confined geometries.

  17. 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 ...

  18. 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.

  19. Molecular dynamics simulations of the penetration lengths: application within the fluctuation theory for diffusion coefficients

    DEFF Research Database (Denmark)

    Galliero, Guillaume; Medvedev, Oleg; Shapiro, Alexander

    2005-01-01

    A 322 (2004) 151). In the current study, a fast molecular dynamics scheme has been developed to determine the values of the penetration lengths in Lennard-Jones binary systems. Results deduced from computations provide a new insight into the concept of penetration lengths. It is shown for four different...... binary liquid mixtures of non-polar components that computed penetration lengths, for various temperatures and compositions, are consistent with those deduced from experiments in the framework of the formalism of the fluctuation theory. Moreover, the mutual diffusion coefficients obtained from a coupled...

  20. Evaluation of ethanol aged PVDF: diffusion, crystallinity and dynamic mechanical thermal properties

    International Nuclear Information System (INIS)

    Silva, Agmar J.J.; Costa, Marysilvia F.

    2015-01-01

    This work discuss firstly the effect of the ethanol fuel absorption by PVDF at 60°C through mass variation tests. A Fickian character was observed for the ethanol absorption kinetics of the aged PVDF at 60°C. In the second step, the dynamic mechanical thermal properties (E’, E’, E” and tan δ) of the PVDF were evaluated through dynamic mechanical thermal analysis (DMTA). The chemical structure of the materials was analyzed by X-ray diffraction analysis (XRD), and significant changes in the degree of crystallinity were verified after the aging. However, DMTA results showed a reduction in the storage modulus (E') of the aged PVDF, which was associated to diffusion of ethanol and swelling of the PVDF, which generated a prevailing plasticizing effect and led to reduction of its structural stiffness. (author)

  1. 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

  2. Plasticity of GABAA receptor diffusion dynamics at the axon initial segment

    Directory of Open Access Journals (Sweden)

    James eMuir

    2014-06-01

    Full Text Available The axon initial segment (AIS, a site of action potential initiation, undergoes activity-dependent homeostatic repositioning to fine-tune neuronal activity. However, little is known about the behaviour of GABAA receptors (GABAARs at synapses made onto the axon and especially the AIS. Here, we study the clustering and lateral diffusion of GABAARs in the AIS under baseline conditions, and find that GABAAR lateral mobility is lower in the AIS than dendrites. We find differences in axonal clustering and lateral mobility between GABAARs containing the α1 or α2 subunits, which are known to localize differentially to the AIS. Interestingly, we find that chronic activity driving AIS repositioning does not alter GABAergic synapse location along the axon, but decreases GABAAR cluster size at the AIS. Moreover, in response to chronic depolarization, GABAAR diffusion is strikingly increased in the AIS, and not in dendrites, and this is coupled with a decrease in synaptic residency time of GABAARs at the AIS. We also demonstrate that activation of L-type voltage-gated calcium channels is important for regulating GABAAR lateral mobility at the AIS during chronic depolarization. Modulation of GABAAR diffusion dynamics at the AIS in response to prolonged activity may be a novel mechanism for regulating GABAergic control of information processing.

  3. 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 - Ea and D0, in the solid electrolyte Li3InBr6-xClx. 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 Ea, 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.

  4. Translational and rotational diffusion of dilute solid amorphous spherical nanocolloids by molecular dynamics simulation

    Science.gov (United States)

    Heyes, D. M.; Nuevo, M. J.; Morales, J. J.

    Following on from our previous study (Heyes, D. M., Nuevo, M. J, and Morales, J. J., 1996, Molec. Phys., 88, 1503), molecular dynamics simulations have been carried out of translational and rotational diffusion of atomistically rough near-spherical solid Lennard-Jones (LJ) clusters immersed in a Weeks-Chandler-Andersen liquid solvent. A single cluster consisting of up to about 100LJ particles as part of an 8000 atom fluid system was considered in each case. The translational and rotational diffusion coefficients decrease with increasing cluster size and solvent density (roughly in proportion to the molar volume of the solvent). The simulations reveal that for clusters in excess of about 30LJ atoms there is a clear separation of timescales between angular velocity and orientation relaxation which adhere well to the small-step diffusion model encapsulated in Hubbard's relationship. For 100 atom clusters both the StokesEinstein (translation) and Stokes-Einstein-Debye (rotation) equations apply approximately. The small departures from these reference solutions indicate that the translational relaxation experiences a local viscosity in excess of the bulk value (typically by ~ 30%), whereas rotational relaxation experiences a smaller viscosity than the bulk (typically by ~ 30%) reasonably in accord with the Gierer-Wirtz model. Both of these observations are consistent with an observed layering of the liquid molecules next to the cluster observed in our previous study.

  5. Experimental study on the dynamic performance of a novel system combining natural ventilation with diffuse ceiling inlet and TABS

    DEFF Research Database (Denmark)

    Yu, Tao; Heiselberg, Per Kvols; Lei, Bo

    2016-01-01

    Highlights • Dynamic experiments are performed to study energy performance of a new HVAC system. • Designed control strategies show good utilization of natural ventilation cooling. • TABS work well with the diffuse ceiling in the dynamic measurements. • No local thermal comfort problem is found...

  6. 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

  7. Head and neck paragangliomas: diffusion weighted and dynamic contrast enhanced magnetic resonance imaging characteristics

    International Nuclear Information System (INIS)

    Yuan, Ying; Shi, Huimin; Tao, Xiaofeng

    2016-01-01

    To determine the feature values of head and neck paragangliomas on diffusion-weighted imaging (DWI) and dynamic contrast enhanced (DCE) magnetic resonance imaging (MRI). Patients with primary head and neck paraganglioma who underwent both DWI and DCE-MRI before treatment between January 2010 and June 2013 were identified. Two radiologists assessed apparent diffusion coefficient (ADC) values on DWI and kinetic characteristics on DCE-MRI. The time intensity curves (TICs) and dynamic parameters, including peak height (PH), maximum enhancement ratio (ER max ), time to peak enhancement (T peak ) and maximum rise slope (Slope max ), were generated and evaluated. Ten patients with head and neck paraganglioma were retrospectively analyzed. On conventional MRI, the tumors demonstrated as well-circumscribed, strongly enhanced lesions. Mean ADC value of the lesions was 1.12 ± 0.15 × 10 −3 mm 2 /s. The TICs demonstrated washout pattern (type-III) in all lesions. The mean PH, ER max , T peak and Slope max value was 121.24 ± 63.99, 193.79 ± 67.18, 8.16 ± 3.29 and 25.42 ± 7.91, respectively. Head and neck paragangliomas demonstrate distinctive DWI and DCE-MRI results than for other benign tumors which should be taken into account in further evaluation of MRI on head and neck lesions

  8. Simulations of pattern dynamics for reaction-diffusion systems via SIMULINK.

    Science.gov (United States)

    Wang, Kaier; Steyn-Ross, Moira L; Steyn-Ross, D Alistair; Wilson, Marcus T; Sleigh, Jamie W; Shiraishi, Yoichi

    2014-04-11

    Investigation of the nonlinear pattern dynamics of a reaction-diffusion system almost always requires numerical solution of the system's set of defining differential equations. Traditionally, this would be done by selecting an appropriate differential equation solver from a library of such solvers, then writing computer codes (in a programming language such as C or Matlab) to access the selected solver and display the integrated results as a function of space and time. This "code-based" approach is flexible and powerful, but requires a certain level of programming sophistication. A modern alternative is to use a graphical programming interface such as Simulink to construct a data-flow diagram by assembling and linking appropriate code blocks drawn from a library. The result is a visual representation of the inter-relationships between the state variables whose output can be made completely equivalent to the code-based solution. As a tutorial introduction, we first demonstrate application of the Simulink data-flow technique to the classical van der Pol nonlinear oscillator, and compare Matlab and Simulink coding approaches to solving the van der Pol ordinary differential equations. We then show how to introduce space (in one and two dimensions) by solving numerically the partial differential equations for two different reaction-diffusion systems: the well-known Brusselator chemical reactor, and a continuum model for a two-dimensional sheet of human cortex whose neurons are linked by both chemical and electrical (diffusive) synapses. We compare the relative performances of the Matlab and Simulink implementations. The pattern simulations by Simulink are in good agreement with theoretical predictions. Compared with traditional coding approaches, the Simulink block-diagram paradigm reduces the time and programming burden required to implement a solution for reaction-diffusion systems of equations. Construction of the block-diagram does not require high-level programming

  9. Diffusion within alpha-CuI studied using ab initio molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Mohn, Chris E [Laboratoire des Colloides, Verres et Nanomateriaux, UMR 5587, Universite Montpellier II-CNRS, 34095 Montpellier (France); Stoelen, Svein [Department of Chemistry and Centre for Materials Science and Nanotechnology, University of Oslo, PO Box 1033 Blindern, N-0315 Oslo (Norway); Hull, Stephen, E-mail: chrism@kjemi.uio.n [ISIS Facility, STFC Rutherford Appleton Laboratory, Didcot, Oxfordshire 0X11 0QX (United Kingdom)

    2009-08-19

    The structure and dynamics of superionic alpha-CuI are studied in detail by means of ab initio Born-Oppenheimer molecular dynamics simulations. The extreme cation disorder and a soft immobile face centred cubic sublattice are evident from the highly diffuse atomic density profiles. The Cu-Cu pair distribution function and distribution of Cu-I-Cu bond angles possess distinct peaks at 2.6 A and 60 deg. respectively, which are markedly lower than the values expected from the average cationic density, pointing to the presence of pronounced short-range copper-copper correlations. Comparison with lattice static calculations shows that these correlations and the marked shift in the cationic density profile in the (111) directions are associated with a locally distorted cation sublattice, and that the movements within the tetrahedral cavities involve rapid jumps into and out of shallow basins on the system potential energy surface. On average, the iodines are surrounded by three coppers within their first coordination shell, with the fourth copper being located in a transition zone between two neighbouring iodine cavities. However, time-resolved analysis reveals that the local structure actually involves a mixture of threefold-, fourfold- and fivefold-coordinated iodines. Examination of the ionic trajectories shows that the copper ions jump rapidly to nearest neighbouring tetrahedral cavities (aligned in the (100) directions) following a markedly curved trajectory and often involving short-lived ({approx}1 ps) interstitial positions. The nature of the correlated diffusion underlying the unusually high fraction of coppers with short residence time can be attributed to the presence of a large number of 'unsuccessful' jumps and the likelihood of cooperative motion of pairs of coppers. The calculated diffusion coefficient at 750 K, D{sup Cu} = 2.8 x 10{sup -5} cm{sup 2} s{sup -1}, is in excellent agreement with that found experimentally.

  10. 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.

  11. Dynamic universality class of model H with frustrated diffusion: ɛ expansion

    Science.gov (United States)

    Yee, Ho-Ung

    2018-01-01

    We study a variation of the dynamic universality class of model H in a spatial dimension of d =4 -ɛ , by frustrating charge diffusion and momentum density fluctuations along dT=1 or dT=2 dimensions, while keeping the same dynamics of model H in the other dL=d -dT dimensions. The case of dT=2 describes the QCD critical point in a background magnetic field. We find that these models belong to a different dynamical universality class due to extended conservation laws compared to the model H, although the static universality class remains the same as the 3-dimensional Ising model. We compute the dynamic critical exponents of these models in first order of ɛ -expansion to find that xλ≈0.847 ɛ , xη ¯≈0.153 ɛ , and z =4 -xλ≈3.15 when ɛ =1 and dT=2 . For dT=1 the results are numerically similar to the model H values: z ≈3.08 .

  12. 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.)

  13. Study of the relation between diffusion and sedimentation of charged silica sols by dynamic light scattering, ultracentrifugation, and turbidimetry

    Science.gov (United States)

    Finsy, R.; Moreels, E.; Bottger, A.; Lekkerkerker, H.

    1985-04-01

    Measurements of the diffusion coefficient, the sedimentation constant and the turbidity by dynamic light scattering, ultracentrifugation and turbidimetry, respectively, of a charged silica sol as a function of the colloid concentration are reported. The strong repulsive interparticle interactions give rise to a spectacular increase of the inverse osmotic compressibility with concentration. It is found that the generalized Einstein relation between the sedimentation and diffusion coefficients and the osmotic compressibility is satisfied, within the experimental accuracies, at finite concentrations.

  14. Reduced Lorenz models for anomalous transport and profile resilience

    DEFF Research Database (Denmark)

    Rypdal, K.; Garcia, Odd Erik

    2007-01-01

    The physical basis for the Lorenz equations for convective cells in stratified fluids, and for magnetized plasmas imbedded in curved magnetic fields, are reexamined with emphasis on anomalous transport. It is shown that the Galerkin truncation leading to the Lorenz equations for the closed boundary...... problem is incompatible with finite fluxes through the system in the limit of vanishing diffusion. An alternative formulation leading to the Lorenz equations is proposed, invoking open boundaries and the notion of convective streamers and their back-reaction on the profile gradient, giving rise...... to resilience of the profile. Particular emphasis is put on the diffusionless limit, where these equations reduce to a simple dynamical system depending only on one single forcing parameter. This model is studied numerically, stressing experimentally observable signatures, and some of the perils of dimension...

  15. A system dynamics model based on evolutionary game theory for green supply chain management diffusion among Chinese manufacturers

    DEFF Research Database (Denmark)

    Tian, Yihui; Govindan, Kannan; Zhu, Qinghua

    2014-01-01

    In this study, a system dynamics (SD) model is developed to guide the subsidy policies to promote the diffusion of green supply chain management (GSCM) in China. The relationships of stakeholders such as government, enterprises and consumers are analyzed through evolutionary game theory. Finally......, the GSCM diffusion process is simulated by the model with a case study on Chinese automotive manufacturing industry. The results show that the subsidies for manufacturers are better than that for consumers to promote GSCM diffusion, and the environmental awareness is another influential key factor....

  16. Monitoring ankylosing spondylitis therapy by dynamic contrast-enhanced and diffusion-weighted magnetic resonance imaging

    Energy Technology Data Exchange (ETDEWEB)

    Gaspersic, Natasa [University Medical Centre, Department of Rheumatology, Ljubljana (Slovenia); Sersa, Igor [Jozef Stefan Institute, Ljubljana (Slovenia); Jevtic, Vladimir [Medical Faculty, Department of Radiology, Ljubljana (Slovenia); Tomsic, Matija; Praprotnik, Sonja [University Medical Centre, Department of Rheumatology, Ljubljana (Slovenia)

    2008-02-15

    The effects of different therapies on enthesitis/osteitis in active ankylosing spondylitis (AS) were evaluated by magnetic resonance imaging (MRI). The aim was to assess the role of quantitative MRI in the evaluation of AS treatment efficacy. Thirty patients with active spondylitis or bilateral sacroilitis were selected and followed up for 1 year. Ten of the patients were treated only with non-steroidal anti-inflammatory drugs, 10 patients additionally received at baseline an intravenous pulse of glucocorticoids and 10 patients were treated with regular infusions of infliximab. Disease activity was measured according to clinical instruments and laboratory tests. For each patient, one selected inflamed lesion was followed from baseline through control visits quantitatively by diffusion-weighted imaging (DWI) measuring the apparent diffusion coefficient (ADC) and by dynamic contrast-enhanced imaging (DCEI) with evaluation of the enhancement factor (f{sub enh}) and enhancement gradient (g{sub enh}). Clinical and quantitative MRI parameters diminished significantly with regression of the inflammatory activity. The improvement in AS was most pronounced in patients treated with infliximab; after 12 months the ADC diminished from an average of 1.31 to 0.88 x 10{sup -3} mm{sup 2}/s, f{sub enh} from 1.85 to 0.60, and g{sub enh} from 3.09 to 1.40 %/s. Diffusion-weighted imaging and DCEI were shown to be effective in quantifying changes in inflammation in skeletal lesions during the treatment of AS, and could therefore be convenient for assessing treatment efficacy. To the best of our knowledge this is the first time DWI was used to evaluate the activity of skeletal inflammation in rheumatic diseases such as AS. (orig.)

  17. Molecular dynamics study of dislocation cores in copper: structure and diffusion at high temperatures

    International Nuclear Information System (INIS)

    Huang, Jin

    1989-01-01

    The variation of the core structure of an easy glide dislocation with temperature and its influence on the stacking fault energy (γ) have been investigated for the first time by molecular-dynamics simulation in copper. The calculations have been performed at various temperatures, using an ab-initio pseudo-potential. Our results show that the core of the Shockley partials, into which the perfect edge dislocation dissociates, becomes increasingly extended as temperature increases. However their separation remains constant. The calculated energy values of the infinite extension stacking fault and the ribbon fault between the partials are quite different, but the evolution of the core structure does not affect the temperature dependence of the latter. We have found that a high disorder appears in the core region when temperature increases due to important anharmonicity effects of the atomic vibrations. The core structure remains solid-like for T m (T m : melting point of bulk) in spite of the high disorder. Above T m , the liquid nucleus germinates in the core region, and then propagates into the bulk. In addition we studied the mobility of vacancies and interstitials trapped on the partials. Although fast diffusion is thought to occur exclusively in a pipe surrounding the dislocation core, in the present study a quasi two-dimensional diffusion is observed for both defects not only in the cores but also in the stacking fault ribbon. On the opposite of current assumptions, the activation energy for diffusion is found to be identical for both defects, which may therefore comparably contribute to mass transport along the dislocations. (author) [fr

  18. Rapid exploration of configuration space with diffusion-map-directed molecular dynamics.

    Science.gov (United States)

    Zheng, Wenwei; Rohrdanz, Mary A; Clementi, Cecilia

    2013-10-24

    The gap between the time scale of interesting behavior in macromolecular systems and that which our computational resources can afford often limits molecular dynamics (MD) from understanding experimental results and predicting what is inaccessible in experiments. In this paper, we introduce a new sampling scheme, named diffusion-map-directed MD (DM-d-MD), to rapidly explore molecular configuration space. The method uses a diffusion map to guide MD on the fly. DM-d-MD can be combined with other methods to reconstruct the equilibrium free energy, and here, we used umbrella sampling as an example. We present results from two systems: alanine dipeptide and alanine-12. In both systems, we gain tremendous speedup with respect to standard MD both in exploring the configuration space and reconstructing the equilibrium distribution. In particular, we obtain 3 orders of magnitude of speedup over standard MD in the exploration of the configurational space of alanine-12 at 300 K with DM-d-MD. The method is reaction coordinate free and minimally dependent on a priori knowledge of the system. We expect wide applications of DM-d-MD to other macromolecular systems in which equilibrium sampling is not affordable by standard MD.

  19. Understanding Lithium Solvation and Diffusion through Topological Analysis of First-Principles Molecular Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Bhatia, Harsh [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Gyulassy, Attila [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Ong, Mitchell [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Lordi, Vincenzo [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Draeger, Erik [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Pask, John [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Pascucci, Valerio [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Bremer, Peer -Timo [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2016-09-27

    The performance of lithium-ion batteries is strongly influenced by the ionic conductivity of the electrolyte, which depends on the speed at which Li ions migrate across the cell and relates to their solvation structure. The choice of solvent can greatly impact, both, the solvation and diffusivity of Li ions. In this work, we present our application of the topological techniques to extract and predict such behavior in the data generated by the first-principles molecular dynamics simulation of Li ions in an important organic solvent -ethylene carbonate. More specifically, we use the scalar topology of the electron charge density field to analyze the evolution of the solvation structures. This allows us to derive a parameter-free bond definition for lithium-oxygen bonds, to provide a quantitative measure for bond strength, and to understand the regions of influence of each atom in the simulation. This has provided new insights into how and under what conditions certain bonds may form and break. As a result, we can identify and, more importantly, predict, unstable configurations in solvation structures. This can be very useful in understanding when small changes to the atoms' movements can cause significantly different bond structures to evolve. Ultimately, this promises to allow scientists to explore lithium ion solvation and diffusion more systematically, with the aim of new insights and potentially accelerating the calculations themselves.

  20. Indirect Prediction of Welding Fume Diffusion inside a Room Using Computational Fluid Dynamics

    Directory of Open Access Journals (Sweden)

    Sujit Dahal

    2016-05-01

    Full Text Available Welding is an important and widely used process in the manufacturing and maintenance of various works involving metals and alloys. While welding has broad applications, the welding fume generated during the process has impacts on workers’ health, which needs to be addressed. One of the major steps that can be undertaken to take care of this issue is the use of ventilation, which requires knowledge of characteristics and dispersion of the welding fume in the workers’ breathing zone. It is difficult to assess welding fume dispersion from manual measurement due to numerous welding processes and sufficient data requirement. Numerical prediction of welding fume is dubious due to several errors. This paper considers the use of numerically predicted CO2 concentrations to indirectly predict welding fume distribution in workshops. This is based on the assumption that if the particles are sufficiently small size, they follow the diffusion pattern of gases. Experiments are carried out in a room with an opening and a welding fume generation system for measurement of CO2 and fume diffusion. The results show high possibility of predicting welding fume concentration based on Computational Fluid Dynamics (CFD simulated CO2 concentration with a correlation coefficient of 0.74.

  1. Dynamics of decentralization: The case of micro cogeneration diffusion in Germany

    International Nuclear Information System (INIS)

    Praetorius, Barbara; Schneider, Lambert

    2005-01-01

    Micro cogeneration is the simultaneous generation of heat and electricity in small units; it is expected to allow for a higher energy efficiency than separate generation. For Germany, the potential of micro cogeneration has been estimated with about 3 GW. Introduced in a larger scale and as part of a general move towards distributed generation, micro cogeneration may contribute to substantial structural changes on electricity and heat markets. We start with an assessment of existing micro cogeneration technologies, including reciprocating engines, Stirling engines and fuel cells, and describe their characteristics and state of development. Based on a model to calculate costs of micro cogeneration operation, we examine their economic feasibility in Germany in a number of typical applications from an operator's and a societal perspective. On this basis, we explore the actual dynamics of its diffusion in Germany. We analyze the interests, attitudes and strategies of actors concerned with implementing micro cogeneration, such as network operators, appliance industry, gas and electricity suppliers, etc. We explore the impacts of their (diverging) interests and strategies and mirror them with the economic potential and institutional setting for micro cogeneration with respect to competition, grid access and transaction costs. We conclude with assessing barriers for and measures to facilitate the diffusion of micro cogeneration in Germany

  2. On the dynamics of flame edges in diffusion-flame/vortex interactions

    Energy Technology Data Exchange (ETDEWEB)

    Hermanns, Miguel; Linan, Amable [Departamento de Motopropulsion y Termofluidodinamica, Universidad Politecnica de Madrid, Pza. Cardenal Cisneros 3, 28040 Madrid (Spain); Vera, Marcos [Area de Mecanica de Fluidos, Universidad Carlos III de Madrid, 28911 Leganes (Spain)

    2007-04-15

    We analyze the local flame extinction and reignition of a counterflow diffusion flame perturbed by a laminar vortex ring. Local flame extinction leads to the appearance of flame edges separating the burning and extinguished regions of the distorted mixing layer. The dynamics of these edges is modeled based on previous numerical results, with heat release effects fully taken into account, which provide the propagation velocity of triple and edge flames in terms of the upstream unperturbed value of the scalar dissipation. The temporal evolution of the mixing layer is determined using the classical mixture fraction approach, with both unsteady and curvature effects taken into account. Although variable density effects play an important role in exothermic reacting mixing layers, in this paper the description of the mixing layer is carried out using the constant density approximation, leading to a simplified analytical description of the flow field. The mathematical model reveals the relevant nondimensional parameters governing diffusion-flame/vortex interactions and provides the parameter range for the more relevant regime of local flame extinction followed by reignition via flame edges. Despite the simplicity of the model, the results show very good agreement with previously published experimental results. (author)

  3. Faster is more different: mean-field dynamics of innovation diffusion.

    Science.gov (United States)

    Baek, Seung Ki; Durang, Xavier; Kim, Mina

    2013-01-01

    Based on a recent model of paradigm shifts by Bornholdt et al., we studied mean-field opinion dynamics in an infinite population where an infinite number of ideas compete simultaneously with their values publicly known. We found that a highly innovative society is not characterized by heavy concentration in highly valued ideas: Rather, ideas are more broadly distributed in a more innovative society with faster progress, provided that the rate of adoption is constant, which suggests a positive correlation between innovation and technological disparity. Furthermore, the distribution is generally skewed in such a way that the fraction of innovators is substantially smaller than has been believed in conventional innovation-diffusion theory based on normality. Thus, the typical adoption pattern is predicted to be asymmetric with slow saturation in the ideal situation, which is compared with empirical data sets.

  4. Faster is more different: mean-field dynamics of innovation diffusion.

    Directory of Open Access Journals (Sweden)

    Seung Ki Baek

    Full Text Available Based on a recent model of paradigm shifts by Bornholdt et al., we studied mean-field opinion dynamics in an infinite population where an infinite number of ideas compete simultaneously with their values publicly known. We found that a highly innovative society is not characterized by heavy concentration in highly valued ideas: Rather, ideas are more broadly distributed in a more innovative society with faster progress, provided that the rate of adoption is constant, which suggests a positive correlation between innovation and technological disparity. Furthermore, the distribution is generally skewed in such a way that the fraction of innovators is substantially smaller than has been believed in conventional innovation-diffusion theory based on normality. Thus, the typical adoption pattern is predicted to be asymmetric with slow saturation in the ideal situation, which is compared with empirical data sets.

  5. Apparent diffusion coefficient values and dynamic contrast enhancement patterns in differentiating seminomas from nonseminomatous testicular neoplasms

    International Nuclear Information System (INIS)

    Tsili, Athina C.; Sylakos, Anastasios; Ntorkou, Alexandra; Stavrou, Sotirios; Astrakas, Loukas G.; Sofikitis, Nikolaos; Argyropoulou, Maria I.

    2015-01-01

    Highlights: • Functional MRI in the characterization of testicular germ cell tumors was assessed. • ADC values proved useful in the characterization of testicular germ cell tumors. • Testicular germ cell tumors had similar enhancement patterns of dynamic MRI. - Abstract: Introduction: The aim of this study is to investigate the role of apparent diffusion coefficient (ADC) values and dynamic contrast enhancement (DCE) patterns in differentiating seminomas from nonseminomatous germ cell tumors (NSGCTs). Materials and methods: The MRI examinations of the scrotum of 26 men with histologically proven testicular GCTs were reviewed. DWI was performed in all patients, using a single shot, multi-slice spin-echo planar diffusion pulse sequence and b-values of 0 and 900 s/mm 2 . Subtraction DCE-MRI was performed in 20 cases using a 3D fast-field echo sequence after gadolinium administration. Time-signal intensity curves were created and semi-quantitative parameters (peak enhancement, time to peak, wash-in and wash-out rate) were calculated. The Student's t-test was used to compare the mean values of ADC, peak enhancement, time to peak, wash-in and wash-out rate between seminomas and NSGCTs. ROC analysis was also performed. Results: Histopathology disclosed the presence of 15 seminomas and 11 NSGCTs. The mean ± s.d. of ADC values (× 10 −3 mm 2 /s) of seminomas (0.59 ± 0.009) were significantly lower than those of NSGCTs (0.90 ± 0.33) (P = 0.01). The optimal ADC cut-off value was 0.68 × 10 −3 mm 2 /s. No differences between the two groups were observed for peak enhancement (P = 0.18), time to peak (P = 0.63) wash-in rate (P = 0.32) and wash-out rate (P = 0.18). Conclusions: ADC values may be used to preoperatively differentiate seminomas from NSGCTs

  6. Canonical perturbation theory; stability and diffusion in Hamiltonian systems: applications in dynamical astronomy

    Science.gov (United States)

    Efthymiopoulos, C.

    We present some basic methods and techniques of canonical perturbation theory, as well as some of its applications in problems of stability and/or dif- fusion in dynamical astronomy. The methods presented are: i) the Birkhoff normal form, ii) the Kolmogorov normal form, iii) the resonant normal form, and iv) the hyperbolic normal form used in the computation of in- variant manifolds of unstable periodic orbits in the chaotic regime. For each method we give concrete examples presented in some detail in order to facilitate study. In particular, we discuss a step by step implementation of a so-called `book-keeping' algorithm by which all quantities (i.e. Hamil- tonian, generating functions etc.) can be split in groups of terms of similar order of smallness. We explain why the book-keeping schemes presently suggested are particularly suitable in computer-algebraic implementations of normal forms. Also, for each method we explain the pattern by which small divisors are accumulated in the series terms at successive normaliza- tion steps, outlining why such accumulation leads to a divergent normal- ization process in the case of the Birkhoff normal form (both non-resonant or resonant), while it leads to a convergent normalization process in the case of the Kolmogorov normal form or the hyperbolic normal form. After these formal aspects, we present applications of canonical perturbation the- ory in concrete Hamiltonian dynamical systems appearing in problems of dynamical astronomy. In particular, we explain how resonant normal form theory is connected to the phenomenon of Arnold diffusion, as well as to estimates of the diffusion rate in the action space in systems of three (or more) degrees of freedom. We discuss how is `book-keeping' implemented in paradigmatic cases, like the treatment of mean motion resonances in so- lar system dynamics, and the study of orbits in axisymmetric galaxies or in barred-spiral rotating galaxies. Finally, we give an example of implemen

  7. 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

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

    KAUST Repository

    Liao, Ying-Hao

    2013-11-02

    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 of turbulent flame puff interaction, and the turbulent flame puff celerity were determined from high-speed imaging of the luminous flame. All of the tests presented here were conducted with a fixed fuel injection velocity at a Reynolds number of 5000. The flame dimensions were generally found to be more impacted by swirl for the cases of longer injection time and faster co-flow flow rate. Flames with swirl exhibited a flame length up to 34% shorter compared to nonswirled flames. Both the turbulent flame puff separation and the flame puff celerity generally decreased when swirl was imposed. The decreased flame length, flame puff separation, and flame puff celerity are consistent with a greater momentum exchange between the flame and the surrounding co-flow, resulting from an increased rate of air entrainment due to swirl. Three scaling relations were developed to account for the impact of the injection time, the volumetric fuel-to-air flow rate ratio, and the jet-on fraction on the visible flame length. © 2013 Copyright Taylor and Francis Group, LLC.

  9. Social Dynamics Shaping the Diffusion of Sustainable Aquaculture Innovations in the Solomon Islands

    Directory of Open Access Journals (Sweden)

    Jessica Blythe

    2017-01-01

    Full Text Available Sustainably feeding the world’s growing population represents one of our most significant challenges. Aquaculture is well positioned to make contributions towards this challenge. Yet, the translation of aquaculture production innovations into benefits for rural communities is constrained by a limited understanding of the social dynamics that influence the adoption of new agricultural practices. In this paper, we investigate the factors that shape the spread of small-scale tilapia aquaculture through rural Solomon Islands. Based on diffusion of innovation theory, we focus on three potentially influential factors: (i socio-economic characteristics of adopters; (ii the role of opinion leaders; and (iii characteristics of the innovation. We find that farmers who were wealthier, older, and had more diverse livelihoods were most likely to be adopters. Opinion leaders facilitated the adoption of tilapia aquaculture, but lacked the capacity to provide fundamental knowledge necessary to realize its potential benefits to food security. The paper argues for more explicit attention to the poorest households and makes the case for a deeper engagement with the broader social and institutional contexts that shape the adoption process. Aquaculture interventions that account for these social dynamics are critical for translating production innovations into sustainable benefits to rural communities.

  10. Threshold behaviors of social dynamics and financial outcomes of Ponzi scheme diffusion in complex networks

    Science.gov (United States)

    Fu, Peihua; Zhu, Anding; Ni, He; Zhao, Xin; Li, Xiulin

    2018-01-01

    Ponzi schemes always lead to mass disasters after collapse. It is important to study the critical behaviors of both social dynamics and financial outcomes for Ponzi scheme diffusion in complex networks. We develop the potential-investor-divestor-investor (PIDI) model by considering the individual behavior of direct reinvestment. We find that only the spreading rate relates to the epidemic outbreak while the reinvestment rate relates to the zero and non-zero final states for social dynamics of both homo- and inhomogeneous networks. Financially, we find that there is a critical spreading threshold, above which the scheme needs not to use its own initial capital for taking off, i.e. the starting cost is covered by the rapidly inflowing funds. However, the higher the cost per recruit, the larger the critical spreading threshold and the worse the financial outcomes. Theoretical and simulation results also reveal that schemes are easier to take off in inhomogeneous networks. The reinvestment rate does not affect the starting. However, it improves the financial outcome in the early stages and postpones the outbreak of financial collapse. Some policy suggestions for the regulator from the perspective of social physics are proposed in the end of the paper.

  11. Multimodal breast cancer imaging using coregistered dynamic diffuse optical tomography and digital breast tomosynthesis

    Science.gov (United States)

    Zimmermann, Bernhard B.; Deng, Bin; Singh, Bhawana; Martino, Mark; Selb, Juliette; Fang, Qianqian; Sajjadi, Amir Y.; Cormier, Jayne; Moore, Richard H.; Kopans, Daniel B.; Boas, David A.; Saksena, Mansi A.; Carp, Stefan A.

    2017-04-01

    Diffuse optical tomography (DOT) is emerging as a noninvasive functional imaging method for breast cancer diagnosis and neoadjuvant chemotherapy monitoring. In particular, the multimodal approach of combining DOT with x-ray digital breast tomosynthesis (DBT) is especially synergistic as DBT prior information can be used to enhance the DOT reconstruction. DOT, in turn, provides a functional information overlay onto the mammographic images, increasing sensitivity and specificity to cancer pathology. We describe a dynamic DOT apparatus designed for tight integration with commercial DBT scanners and providing a fast (up to 1 Hz) image acquisition rate to enable tracking hemodynamic changes induced by the mammographic breast compression. The system integrates 96 continuous-wave and 24 frequency-domain source locations as well as 32 continuous wave and 20 frequency-domain detection locations into low-profile plastic plates that can easily mate to the DBT compression paddle and x-ray detector cover, respectively. We demonstrate system performance using static and dynamic tissue-like phantoms as well as in vivo images acquired from the pool of patients recalled for breast biopsies at the Massachusetts General Hospital Breast Imaging Division.

  12. Uhrig dynamical control of a three-level system via non-Markovian quantum state diffusion

    International Nuclear Information System (INIS)

    Shu, Wenchong; Zhao, Xinyu; Jing, Jun; Yu, Ting; Wu, Lian-Ao

    2013-01-01

    In this paper, we use the quantum state diffusion (QSD) equation to implement the Uhrig dynamical decoupling to a three-level quantum system coupled to a non-Markovian reservoir comprising of infinite numbers of degrees of freedom. For this purpose, we first reformulate the non-Markovian QSD to incorporate the effect of the external control fields. With this stochastic QSD approach, we demonstrate that an unknown state of the three-level quantum system can be universally protected against both coloured phase and amplitude noises when the control-pulse sequences and control operators are properly designed. The advantage of using non-Markovian QSD equations is that the control dynamics of open quantum systems can be treated exactly without using Trotter product formula and be efficiently simulated even when the environment is comprised of infinite numbers of degrees of freedom. We also show how the control efficacy depends on the environment memory time and the designed time points of applied control pulses. (paper)

  13. Network synchronization of time-delayed coupled nonlinear systems using predictor-based diffusive dynamic couplings.

    Science.gov (United States)

    Murguia, C; Fey, Rob H B; Nijmeijer, H

    2015-02-01

    We study the problem of controlled network synchronization of coupled semipassive systems in the case when the outputs (the coupling variables) and the inputs are subject to constant time-delay (as it is often the case in a networked context). Predictor-based dynamic output feedback controllers are proposed to interconnect the systems on a given network. Using Lyapunov-Krasovskii functional and the notion of semipassivity, we prove that under some mild assumptions, the solutions of the interconnected systems are globally ultimately bounded. Sufficient conditions on the systems to be interconnected, on the network topology, on the coupling dynamics, and on the time-delays that guarantee global state synchronization are derived. A local analysis is provided in which we compare the performance of our predictor-based control scheme against the existing static diffusive couplings available in the literature. We show (locally) that the time-delay that can be induced to the network may be increased by including the predictors in the loop. The results are illustrated by computer simulations of coupled Hindmarsh-Rose neurons.

  14. Network synchronization of time-delayed coupled nonlinear systems using predictor-based diffusive dynamic couplings

    Science.gov (United States)

    Murguia, C.; Fey, Rob H. B.; Nijmeijer, H.

    2015-02-01

    We study the problem of controlled network synchronization of coupled semipassive systems in the case when the outputs (the coupling variables) and the inputs are subject to constant time-delay (as it is often the case in a networked context). Predictor-based dynamic output feedback controllers are proposed to interconnect the systems on a given network. Using Lyapunov-Krasovskii functional and the notion of semipassivity, we prove that under some mild assumptions, the solutions of the interconnected systems are globally ultimately bounded. Sufficient conditions on the systems to be interconnected, on the network topology, on the coupling dynamics, and on the time-delays that guarantee global state synchronization are derived. A local analysis is provided in which we compare the performance of our predictor-based control scheme against the existing static diffusive couplings available in the literature. We show (locally) that the time-delay that can be induced to the network may be increased by including the predictors in the loop. The results are illustrated by computer simulations of coupled Hindmarsh-Rose neurons.

  15. Molecular dynamics study on the diffusion behavior of Li in the grain boundaries of α-Fe

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Xingang, E-mail: xgyu@ucas.ac.cn [School of Engineering Science, University of Chinese Academy of Sciences, Beijing 100049 (China); Liu, Chengrui [Beijing Institute of Control Engineering, Beijing 100190 (China); Han, Tiansi [Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing 100190 (China); Gan, Xianglai [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China)

    2016-11-01

    Highlights: • Confirmed the strong binding effect between the grain boundaries and lithium interstitials. • Determined the critical temperatures for a lithium atom to diffuse in the grain boundaries. • Revealed that the diffusion mechanism of a lithium atom depends on the grain boundary structure. - Abstract: Liquid lithium has been considered as a candidate material for several components of future fusion devices. Since the containment materials are usually ferrous alloys, molecular dynamics simulations were performed to study the diffusion behavior of lithium atoms along <110> tilt grain boundaries (GB) including Σ9{114}, Σ11{113}, Σ3{112} and Σ11{332} in α-Fe. The binding energies of a Li interstitial to the GBs were calculated. The results suggest that all the GBs have strong binding effect on the Li atom. The critical temperatures for the Li atom to diffuse were determined. The diffusion process of a Li interstitial in the GBs was systematically analyzed. It turns out that the diffusion mechanism depends on the GB structures. For Σ11{113} and GB Σ9{114}, the Li atom was trapped by the Frenkel defect around the GBs at 300 K and 400 K respectively and therefore the diffusion was slowed down rapidly. For Σ3{112}, no defects were formed around GB and the Li atom diffused into Fe bulk at 700 K and above. For Σ3{112}, the diffusion process is driven by the movement of the GB. Finally, the diffusion coefficient, as well as the activation energy, was evaluated.

  16. Anisotropic diffusion of concentrated hard-sphere colloids near a hard wall studied by evanescent wave dynamic light scattering.

    Science.gov (United States)

    Michailidou, V N; Swan, J W; Brady, J F; Petekidis, G

    2013-10-28

    Evanescent wave dynamic light scattering and Stokesian dynamics simulations were employed to study the dynamics of hard-sphere colloidal particles near a hard wall in concentrated suspensions. The evanescent wave averaged short-time diffusion coefficients were determined from experimental correlation functions over a range of scattering wave vectors and penetration depths. Stokesian dynamics simulations performed for similar conditions allow a direct comparison of both the short-time self- and collective diffusivity. As seen earlier [V. N. Michailidou, G. Petekidis, J. W. Swan, and J. F. Brady, Phys. Rev. Lett. 102, 068302 (2009)] while the near wall dynamics in the dilute regime slow down compared to the free bulk diffusion, the reduction is negligible at higher volume fractions due to an interplay between the particle-wall and particle-particle hydrodynamic interactions. Here, we provide a comprehensive comparison between experiments and simulations and discuss the interplay of particle-wall and particle-particle hydrodynamics in the self- and cooperative dynamics determined at different scattering wave vectors and penetration depths.

  17. 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.

  18. New Perspectives on the Dynamical State of Extraplanar Diffuse Ionized Gas Layers

    Science.gov (United States)

    Boettcher, Erin; Zweibel, Ellen; Gallagher, John S.; Benjamin, Robert A.

    2018-01-01

    Gaseous, disk-halo interfaces are an important boundary in the baryon cycle in galaxies like the Milky Way, and their structure, support, and kinematics carry clues about the star formation feedback and accretion processes that produce them. Due to their unexpectedly large scale heights, which are often several times greater than their thermal scale heights, it is unclear whether they are in dynamical equilibrium, or are evidence of a galactic fountain, wind, or accretion flow. In the nearby, edge-on disk galaxies NGC 891 and NGC 5775, we test a dynamical equilibrium model of the extraplanar diffuse ionized gas (eDIG) layer by quantifying the thermal, turbulent, magnetic field, and cosmic ray pressure gradients using optical emission-line spectroscopy from the SparsePak IFU at the WIYN Observatory and the Robert Stobie Spectrograph on the Southern African Large Telescope and radio continuum observations from Continuum Halos in Nearby Galaxies - an EVLA Survey. The vertical pressure gradients are too shallow to produce the observed scale heights at the moderate galactocentric radii where the gas is believed to be found (R elevated [NII]/Hα and [SII]/Hα line ratios. The median, line-of-sight velocity dispersion of the eDIG layer, σ = 96 km/s, greatly exceeds the horizontal velocity dispersions observed in edge-on eDIG layers (σ = 20 - 60 km/s), presenting the possibility that these layers have anisotropic random motions. The role of an anisotropic velocity dispersion in producing eDIG scale heights, as well as the absence of evidence for large-scale inflow or outflow, motivates further study of eDIG dynamics in face-on galaxies with a range of star formation rates. This work was supported by the NSF GRFP under Grant No. DGE-1256259.

  19. Simultaneous free-volume modeling of the self-diffusion coefficient and dynamic viscosity at high pressure

    DEFF Research Database (Denmark)

    Boned, C.; Allal, A.; Baylaucq, A.

    2004-01-01

    In this work, a simultaneous modeling of the self-diffusion coefficient and the dynamic viscosity is presented. In the microstructural theory these two quantities are governed by the same friction coefficient related to the mobility of the molecule. A recent free-volume model, already successfully...

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

    Science.gov (United States)

    Fuson, Michael M.

    2017-01-01

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

  1. Estimating kinetic parameters from dynamic contrast-enhanced T(1)-weighted MRI of a diffusable tracer: standardized quantities and symbols

    DEFF Research Database (Denmark)

    Tofts, P.S.; Brix, G; Buckley, D.L.

    1999-01-01

    We describe a standard set of quantity names and symbols related to the estimation of kinetic parameters from dynamic contrast-enhanced T(1)-weighted magnetic resonance imaging data, using diffusable agents such as gadopentetate dimeglumine (Gd-DTPA). These include a) the volume transfer constant K...

  2. Evaluation of conventional, dynamic contrast enhanced and diffusion weighted MRI for quantitative Crohn's disease assessment with histopathology of surgical specimens

    NARCIS (Netherlands)

    Tielbeek, Jeroen A. W.; Ziech, Manon L. W.; Li, Zhang; Lavini, Cristina; Bipat, Shandra; Bemelman, Willem A.; Roelofs, Joris J. T. H.; Ponsioen, Cyriel Y.; Vos, Frans M.; Stoker, Jaap

    2014-01-01

    To prospectively compare conventional MRI sequences, dynamic contrast enhanced (DCE) MRI and diffusion weighted imaging (DWI) with histopathology of surgical specimens in Crohn's disease. 3-T MR enterography was performed in consecutive Crohn's disease patients scheduled for surgery within 4 weeks.

  3. Water transport in the gas diffusion layer of a polymer electrolyte fuel cell : Dynamic Pore-Network Modeling

    NARCIS (Netherlands)

    Qin, C.

    2015-01-01

    The pore-scale modeling is a powerful tool for increasing our understanding of water transport in the fibrous gas diffusion layer (GDL) of a polymer electrolyte fuel cell (PEFC). In this work, a new dynamic pore-network model for air-water flow in the GDL is developed. It incorporates water vapor

  4. Effect of bending and torsion rigidity on self-diffusion in polymer melts : A molecular-dynamics study

    NARCIS (Netherlands)

    Bulacu, M; van der Giessen, E

    2005-01-01

    Extensive molecular-dynamics simulations have been performed to study the effect of chain conformational rigidity, controlled by bending and torsion potentials, on self-diffusion in polymer melts. The polymer model employs a novel torsion potential that avoids computational singularities without the

  5. 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

  6. Chiral anomalous dispersion

    Science.gov (United States)

    Sadofyev, Andrey; Sen, Srimoyee

    2018-02-01

    The linearized Einstein equation describing graviton propagation through a chiral medium appears to be helicity dependent. We analyze features of the corresponding spectrum in a collision-less regime above a flat background. In the long wave-length limit, circularly polarized metric perturbations travel with a helicity dependent group velocity that can turn negative giving rise to a new type of an anomalous dispersion. We further show that this chiral anomalous dispersion is a general feature of polarized modes propagating through chiral plasmas extending our result to the electromagnetic sector.

  7. ON THE SOURCE OF ASTROMETRIC ANOMALOUS REFRACTION

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, M. Suzanne [Department of Natural and Environmental Sciences, Western State Colorado University, 128 Hurst Hall, Gunnison, CO 81230 (United States); McGraw, John T.; Zimmer, Peter C. [Department of Physics and Astronomy, University of New Mexico, MSC07 4220, Albuquerque, NM 87131 (United States); Pier, Jeffrey R., E-mail: mstaylor@western.edu [Division of Astronomical Sciences, NSF 4201 Wilson Blvd, Arlington, VA 22230 (United States)

    2013-03-15

    More than a century ago, astronomers using transit telescopes to determine precise stellar positions were hampered by an unexplained periodic shifting of the stars they were observing. With the advent of CCD transit telescopes in the past three decades, this unexplained motion, termed 'anomalous refraction' by these early astronomers, is again being observed. Anomalous refraction is described as a low-frequency, large angular scale ({approx}2 Degree-Sign ) motion of the entire image plane with respect to the celestial coordinate system as observed and defined by astrometric catalogs. These motions, of typically several tenths of an arcsecond amplitude with timescales on the order of 10 minutes, are ubiquitous to ground-based drift-scan astrometric measurements regardless of location or telescopes used and have been attributed to the effect of tilting of equal-density layers of the atmosphere. The cause of this tilting has often been attributed to atmospheric gravity waves, but this cause has never been confirmed. Although theoretical models of atmospheric refraction show that atmospheric gravity waves are a plausible cause of anomalous refraction, an observational campaign specifically directed at defining this relationship provides clear evidence that anomalous refraction is not consistent with the passage of atmospheric gravity waves. The source of anomalous refraction is found to be meter-scale, slowly evolving quasi-coherent dynamical structures in the boundary layer below 60 m above ground level.

  8. 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.

  9. ReaDDy - A Software for Particle-Based Reaction-Diffusion Dynamics in Crowded Cellular Environments

    Science.gov (United States)

    Schöneberg, Johannes; Noé, Frank

    2013-01-01

    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. PMID:24040218

  10. Anomalous Hall effect

    Czech Academy of Sciences Publication Activity Database

    Nagaosa, N.; Sinova, Jairo; Onoda, S.; MacDonald, A. H.; Ong, N. P.

    2010-01-01

    Roč. 82, č. 2 (2010), s. 1539-1592 ISSN 0034-6861 Institutional research plan: CEZ:AV0Z10100521 Keywords : anomalous Hall effect * spintronics Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 51.695, year: 2010

  11. Solution Phase Exciton Diffusion Dynamics of a Charge-Transfer Copolymer PTB7 and a Homopolymer P3HT

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Sung; Rolczynski, Brian S.; Xu, Tao; Yu, Luping; Chen, Lin X.

    2015-06-18

    Using ultrafast polarization-controlled transient absorption (TA) measurements, dynamics of the initial exciton states were investigated on the time scale of tens of femtoseconds to about 80 ps in two different types of conjugated polymers extensively used in active layers of organic photovoltaic devices. These polymers are poly(3-fluorothienothiophenebenzodithiophene) (PTB7) and poly-3-hexylthiophene (P3HT), which are charge-transfer polymers and homopolymers, respectively. In PTB7, the initial excitons with excess vibrational energy display two observable ultrafast time constants, corresponding to coherent exciton diffusion before the vibrational relaxation, and followed by incoherent exciton diffusion processes to a neighboring local state after the vibrational relaxation. In contrast, P3HT shows only one exciton diffusion or conformational motion time constant of 34 ps, even though its exciton decay kinetics are multiexponential. Based on the experimental results, an exciton dynamics mechanism is conceived taking into account the excitation energy and structural dependence in coherent and incoherent exciton diffusion processes, as well as other possible deactivation processes including the formation of the pseudo-charge-transfer and charge separate states, as well as interchain exciton hopping or coherent diffusion.

  12. 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

  13. Beta Function and Anomalous Dimensions

    DEFF Research Database (Denmark)

    Pica, Claudio; Sannino, Francesco

    2011-01-01

    We demonstrate that it is possible to determine the coefficients of an all-order beta function linear in the anomalous dimensions using as data the two-loop coefficients together with the first one of the anomalous dimensions which are universal. The beta function allows to determine the anomalous...

  14. 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.

  15. Behavior of specific heat and self diffusion coefficient of sodium near transition temperature: a molecular dynamics study

    International Nuclear Information System (INIS)

    Ahmed, N.; Khan, G.

    1990-09-01

    In this report the author used of a very useful technique of simulation and applied it to successfully for determining the various properties of sodium, both in liquid and solid phase near transition point. As a first step the determination of specific heat and diffusion coefficient have been carried out. In liquid state the molecular dynamics (MD) values calculated matched the experimental data. But in solid state the diffusion coefficient obtained were not consistent with the one expected for a solid, rather the values obtained suggested that sodium remained in liquid state even below the melting point. (A.B.)

  16. Dynamics of salt diffusion and yield of three types of goat's milk cheese

    Directory of Open Access Journals (Sweden)

    Sonja Srbinovska

    2001-01-01

    Full Text Available This paper studies the dynamics of salt diffusion during the ageing ofthree types of cheese from goat's milk: Mozzarella, White Brined andPecorino. The salt concentration was consistently analyzed at the 72nd hour and on the 5th, 10th, 20th, 40th, 50th, 60th and 90th day of the cheese ageing period. The distribution of salt in the three layers of cheese – inner (I, middle (II and outer (III was also studied. The salt equilibration in the cheese mass of Mozzarella occurred on the 15th day, in the White Brined - on the 60th day,whereas in Pecorino the content of salt even on the 90th day was by 1% lower, in the inner layer than in the two other layers of this cheese. The utilization rate of dry matter was 52.17% in Mozzarella, 50.64% in the White Brined and 48.32% in Pecorino. Accordingly, the yield of Mozzarella is 18.13 ±0.43%, of White Brined - 12.50 ±0.37% and the yield of Pecorino is 9.18 ±0.13%.

  17. Dynamics and Stability of Self-similar Pinch-off via Surface Diffusion

    Science.gov (United States)

    Bernoff, Andrew J.; Bertozzi, Andrea L.; Witelski, Thomas P.

    1998-11-01

    The motion of an interface via BBW.html>surface diffusion is a well-known model in the study of thin solid filaments with application to such fields as integrated circuit technology. The interface moves with a normal velocity proportional to minus the surface Laplacian of its mean curvature. This flow conserves the volume enclosed inside the surface while minimizing its surface area. A cylindrical surface is unstable to long-wave perturbations, analogous to the Rayleigh instability in fluid dynamics. The initial instability leads to a conical pinch-off of the cylinder to form isolated spheres. We examine the structure of the pinch-off, showing it has self-similar structure, using asymptotic, numerical and analytical methods. In addition to a previously known solution(Wong et al. Scripta Mater.) 39(1):55, 1998, we find a countable set of similarity solutions, each with a different cone angle. We develop a stability theory in similarity variables that selects the original similarity solution as the only linearly stable one and consequently the only observable one. We confirm this theory via numerical simulations, using self-similar adaptive mesh refinement, of the pinch-off.

  18. 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.

  19. Monitoring and scoring counter-diffusion protein crystallization experiments in capillaries by in situ dynamic light scattering.

    Science.gov (United States)

    Oberthuer, Dominik; Melero-García, Emilio; Dierks, Karsten; Meyer, Arne; Betzel, Christian; Garcia-Caballero, Alfonso; Gavira, Jose A

    2012-01-01

    In this paper, we demonstrate the feasibility of using in situ Dynamic Light Scattering (DLS) to monitor counter-diffusion crystallization experiments in capillaries. Firstly, we have validated the quality of the DLS signal in thin capillaries, which is comparable to that obtained in standard quartz cuvettes. Then, we have carried out DLS measurements of a counter-diffusion crystallization experiment of glucose isomerase in capillaries of different diameters (0.1, 0.2 and 0.3 mm) in order to follow the temporal evolution of protein supersaturation. Finally, we have compared DLS data with optical recordings of the progression of the crystallization front and with a simulation model of counter-diffusion in 1D.

  20. Monitoring and scoring counter-diffusion protein crystallization experiments in capillaries by in situ dynamic light scattering.

    Directory of Open Access Journals (Sweden)

    Dominik Oberthuer

    Full Text Available In this paper, we demonstrate the feasibility of using in situ Dynamic Light Scattering (DLS to monitor counter-diffusion crystallization experiments in capillaries. Firstly, we have validated the quality of the DLS signal in thin capillaries, which is comparable to that obtained in standard quartz cuvettes. Then, we have carried out DLS measurements of a counter-diffusion crystallization experiment of glucose isomerase in capillaries of different diameters (0.1, 0.2 and 0.3 mm in order to follow the temporal evolution of protein supersaturation. Finally, we have compared DLS data with optical recordings of the progression of the crystallization front and with a simulation model of counter-diffusion in 1D.

  1. Dynamic Analysis for a Kaldor–Kalecki Model of Business Cycle with Time Delay and Diffusion Effect

    Directory of Open Access Journals (Sweden)

    Wenjie Hu

    2018-01-01

    Full Text Available The dynamics behaviors of Kaldor–Kalecki business cycle model with diffusion effect and time delay under the Neumann boundary conditions are investigated. First the conditions of time-independent and time-dependent stability are investigated. Then, we find that the time delay can give rise to the Hopf bifurcation when the time delay passes a critical value. Moreover, the normal form of Hopf bifurcations is obtained by using the center manifold theorem and normal form theory of the partial differential equation, which can determine the bifurcation direction and the stability of the periodic solutions. Finally, numerical results not only validate the obtained theorems, but also show that the diffusion coefficients play a key role in the spatial pattern. With the diffusion coefficients increasing, different patterns appear.

  2. Effect of annealing on structural changes and oxygen diffusion in amorphous HfO2 using classical molecular dynamics

    Science.gov (United States)

    Shen, Wenqing; Kumari, Niru; Gibson, Gary; Jeon, Yoocharn; Henze, Dick; Silverthorn, Sarah; Bash, Cullen; Kumar, Satish

    2018-02-01

    Non-volatile memory is a promising alternative to present memory technologies. Oxygen vacancy diffusion has been widely accepted as one of the reasons for the resistive switching mechanism of transition-metal-oxide based resistive random access memory. In this study, molecular dynamics simulation is applied to investigate the diffusion coefficient and activation energy of oxygen in amorphous hafnia. Two sets of empirical potential, Charge-Optimized Many-Body (COMB) and Morse-BKS (MBKS), were considered to investigate the structural and diffusion properties at different temperatures. COMB predicts the activation energy of 0.53 eV for the temperature range of 1000-2000 K, while MBKS predicts 2.2 eV at high temperature (1600-2000 K) and 0.36 eV at low temperature (1000-1600 K). Structural changes and appearance of nano-crystalline phases with increasing temperature might affect the activation energy of oxygen diffusion predicted by MBKS, which is evident from the change in coordination number distribution and radial distribution function. None of the potentials make predictions that are fully consistent with density functional theory simulations of both the structure and diffusion properties of HfO2. This suggests the necessity of developing a better multi-body potential that considers charge exchange.

  3. The special theory of Brownian relativity: equivalence principle for dynamic and static random paths and uncertainty relation for diffusion.

    Science.gov (United States)

    Mezzasalma, Stefano A

    2007-03-15

    The theoretical basis of a recent theory of Brownian relativity for polymer solutions is deepened and reexamined. After the problem of relative diffusion in polymer solutions is addressed, its two postulates are formulated in all generality. The former builds a statistical equivalence between (uncorrelated) timelike and shapelike reference frames, that is, among dynamical trajectories of liquid molecules and static configurations of polymer chains. The latter defines the "diffusive horizon" as the invariant quantity to work with in the special version of the theory. Particularly, the concept of universality in polymer physics corresponds in Brownian relativity to that of covariance in the Einstein formulation. Here, a "universal" law consists of a privileged observation, performed from the laboratory rest frame and agreeing with any diffusive reference system. From the joint lack of covariance and simultaneity implied by the Brownian Lorentz-Poincaré transforms, a relative uncertainty arises, in a certain analogy with quantum mechanics. It is driven by the difference between local diffusion coefficients in the liquid solution. The same transformation class can be used to infer Fick's second law of diffusion, playing here the role of a gauge invariance preserving covariance of the spacetime increments. An overall, noteworthy conclusion emerging from this view concerns the statistics of (i) static macromolecular configurations and (ii) the motion of liquid molecules, which would be much more related than expected.

  4. Effect of repeat purchase and dynamic market size on diffusion of an innovative technological consumer product in a segmented market

    DEFF Research Database (Denmark)

    Aggarwal, S.; Gupta, A.; Govindan, K.

    2014-01-01

    This study develops diffusion models for technological consumer products under the marketing environment when a product is marketed in a segmented market and observes two distinctive promotional strategies of mass and differentiated promotion; an under explored study area. Mass promotion strategy...... the repurchase behaviour of the adopter population and dynamic potential market size considerations. Performance of the proposed models is analysed on real life data for a new product marketed in four segments and compared with the previous study....

  5. Modeling Radiation Belt Electron Dynamics with the DREAM3D Diffusion Model

    Energy Technology Data Exchange (ETDEWEB)

    Tu, Weichao [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Cunningham, Gregory S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chen, Yue [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Henderson, Michael G. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Morley, Steven K. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reeves, Geoffrey D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Blake, Bernard J. [The Aerospace Corporation, El Segundo, CA (United States); Baker, Daniel N. [Lab. for Atmospheric and Space Physics, Boulder, CO (United States); Spence, Harlan [Univ. of New Hampshire, Durham, NH (United States)

    2014-02-14

    The simulation results from our 3D diffusion model on the CRRES era suggest; our model captures the general variations of radiation belt electrons, including the dropouts and the enhancements; the overestimations inside the plasmapause can be improved by increasing the PA diffusion from hiss waves; and that better DLL and wave models are required.

  6. Intramolecular diffusive motion in alkane monolayers studied by high-resolution quasielastic neutron scattering and molecular dynamics simulations

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Criswell, L.; Fuhrmann, D

    2004-01-01

    that these relatively slow motions are observable by high-energy-resolution quasielastic neutron scattering (QNS) thus demonstrating QNS as a technique, complementary to nuclear magnetic resonance, for studying conformational dynamics on a nanosecond time scale in molecular monolayers.......Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring on a time scale of similar to0.1-4 ns. We present evidence...

  7. Astrocytic Gliotransmitter: Diffusion Dynamics and Induction of Information Processing on Tripartite Synapses

    Science.gov (United States)

    Li, Jia-Jia; Du, Meng-Meng; Wang, Rong; Lei, Jin-Zhi; Wu, Ying

    Astrocytes have important functions in the central nervous system (CNS) and are significant in our understanding of the neuronal network. Astrocytes modulate neuronal firings at both single cell level of tripartite synapses and the neuron-glial network level. Astrocytes release adenosine triphosphate (ATP) and glutamate into the neuron-glial network. These gliotransmitters diffuse over the network to form long distance signals to regulate neuron firings. In this paper, we study a neuron-glial network model that includes a diffusion of astrocytic ATP and glutamate to investigate how long distance diffusion of the gliotransmitters affects the information processing in a neuronal network. We find that gliotransmitters diffusion can compensate for the failure of information processing of interneuron network firings induced by defectively coupled synapses. Moreover, we find that calcium waves in astrocyte network and firings in interneuron network are both sensitive to the glutamate diffusion rate and feedback intensities of astrocytes on interneurons.

  8. Single-molecule diffusion and conformational dynamics by spatial integration of temporal fluctuations

    KAUST Repository

    Serag, Maged F.

    2014-10-06

    Single-molecule localization and tracking has been used to translate spatiotemporal information of individual molecules to map their diffusion behaviours. However, accurate analysis of diffusion behaviours and including other parameters, such as the conformation and size of molecules, remain as limitations to the method. Here, we report a method that addresses the limitations of existing single-molecular localization methods. The method is based on temporal tracking of the cumulative area occupied by molecules. These temporal fluctuations are tied to molecular size, rates of diffusion and conformational changes. By analysing fluorescent nanospheres and double-stranded DNA molecules of different lengths and topological forms, we demonstrate that our cumulative-area method surpasses the conventional single-molecule localization method in terms of the accuracy of determined diffusion coefficients. Furthermore, the cumulative-area method provides conformational relaxation times of structurally flexible chains along with diffusion coefficients, which together are relevant to work in a wide spectrum of scientific fields.

  9. 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)

  10. Thermal Diffusion Dynamic Behavior of Two-Dimensional Ag-SMALL Clusters on Ag(1 1 1) Surface

    Science.gov (United States)

    Zakirur-Rehman; Hayat, Sardar Sikandar

    2015-07-01

    In this paper, the thermal diffusion behavior of small two-dimensional Ag-islands on Ag(1 1 1) surface has been explored using molecular dynamics (MD) simulations. The approach is based on semi-empirical potentials. The key microscopic processes responsible for the diffusion of Ag1-5 adislands on Ag(1 1 1) surface are identified. The hopping and zigzag concerted motion along with rotation are observed for Ag one-atom to three-atom islands while single-atom and multi-atom processes are revealed for Ag four-atom and five-atom islands, during the diffusion on Ag(1 1 1) surface. The same increasing/decreasing trend in the diffusion coefficient and effective energy barrier is observed in both the self learning kinetic Monte Carlo (SLKMC) and MD calculations, for the temperature range of 300-700 K. An increase in the value of effective energy barrier is noticed with corresponding increase in the number of atoms in Ag-adislands. A reasonable linear fit is observed for the diffusion coefficient for studied temperatures (300, 500 and 700 K). For the observed diffusion mechanisms, our findings are in good agreement with ab initio density-functional theory (DFT) calculations for Al/Al(1 1 1) while the energy barrier values are in same range as the experimental values for Cu/Ag(1 1 1) and the theoretical values using ab initio DFT supplemented with embedded-atom method for Ag/Ag(1 1 1).

  11. Experimental study of dynamic diffusion tensor imaging in spinal cord of goats under persistent compression

    International Nuclear Information System (INIS)

    Liu Jicun; Liu Huaijun; He Dan; Huang Boyuan; Cui Caixia; Wang Zhihong; Xu Yingjin

    2009-01-01

    Objective: To explore the dynamic changes of diffusion tensor imaging (DTI) in spinal cord of goats with persistent compression injury. Methods: Eighteen goats weighted 20-25 kg were divided into three groups with completely random design: A, B and C. A balloon catheter was inserted into the epidural space at C3-4 level via intervertabral foramen for each goat. The balloon was inflated by injection of variable volumes of saline in group A and B 10 days following operation. The volume of saline was 0.3 ml in group A and 0.2 ml in group B, respectively. The compression sustained for 40 days. Group C served as uncompressed control without injection of saline. The locomotor rating score was applied to each group. Conventional MRI and DTI were performed. The apparent diffusion coefficient (ADC)and fractional anisotropy(FA) values were measured. Histopathological assessments of the compressed spinal cord were performed 50 days following operation with light microscope and transmission electron microscopy. Results: Before operation, the locomotor rating score was 5, the ADC value was (1.23 ± 0.05) x 10 -3 mm 2 /s and the FA value was (0.72 ± 0.05) each group. Of six goats in Group A, the locomotor rating score severely decreased and reached (1.5 ± 0.4)on the 40 th day after compression. The ADC value at compression site decreased soon and reached the minimum (0.75 ± 0.04) x 10 -3 mm 2 /s on the 5 th day after compression. Then the ADC value increased gradually, restored normal on the 10 th day or so, then became markedly higher than normal and reached (1.61±0.05) x 10 -3 mm 2 /s on the 40 th day. The FA value at compression site decreased soon, reached (0.54±0.04)on the 1st day, then decreased gradually and reached (0.43± 0.05) on the 40 th day. It appeared high signal intensity on T 2 WI on the 10 th day. In Group B, the locomotor rating score was moderately decreased and reached (3.4 ± 0.5) on the 40 th day. The ADC value at compression site decreased slightly

  12. Convection/Diffusion Test Method for Porous Materials Using the Dynamic Moisture Permeation Cell

    National Research Council Canada - National Science Library

    Gibson, Phillip

    1998-01-01

    This report describes the use of an automated apparatus and test procedure to determine the convective and diffusive gas and vapor transport properties of small pieces of woven and nonwoven fabrics, membranes, and foams...

  13. Diffusion inside living human cells

    DEFF Research Database (Denmark)

    Leijnse, N.; Jeon, J. -H.; Loft, Steffen

    2012-01-01

    Naturally occurring lipid granules diffuse in the cytoplasm and can be used as tracers to map out the viscoelastic landscape inside living cells. Using optical trapping and single particle tracking we found that lipid granules exhibit anomalous diffusion inside human umbilical vein endothelial...

  14. 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

  15. ICT diffusion, innovation systems, globalisation and regional economic dynamics: Theory and empirical evidence

    OpenAIRE

    Karlsson, Charlie; Maier, Gunther; Trippl, Michaela; Siedschlag, Iulia; Owen, Robert; Murphy, Gavin

    2008-01-01

    The objective of this paper is to review the relevant theoretical and empirical literature to provide a conceptual and methodological background for the analysis of the consequences of ICT use and globalisation on the regional economies in the European Union. We highlight the key aspects of ICT as a general purpose technology, discuss the economic impacts of ICT diffusion from a macro as well as from a micro perspective, and examine the spatial consequences of ICT diffusion. We focus on regio...

  16. Diffusion dynamics of the Keap1–Cullin3 interaction in single live cells

    Energy Technology Data Exchange (ETDEWEB)

    Baird, Liam [Jacqui Wood Cancer Centre, Division of Cancer Research, Medical Research Institute, University of Dundee, Dundee, Scotland (United Kingdom); Dinkova-Kostova, Albena T., E-mail: a.dinkovakostova@dundee.ac.uk [Jacqui Wood Cancer Centre, Division of Cancer Research, Medical Research Institute, University of Dundee, Dundee, Scotland (United Kingdom); Department of Pharmacology and Molecular Sciences, Johns Hopkins University School of Medicine, Baltimore, MD (United States)

    2013-03-29

    Highlights: ► We developed a quantitative FRAP-based system to study the Keap1–Cul3 interaction. ► We show that Keap1–EGFP and mCherry–Cul3 interact in single live cells. ► We used inducers which target distinct cysteine sensors of Keap1 and differ 4000-fold in potency. ► Inducers cause Nrf2 stabilization, nuclear translocation, and target gene expression. ► Inducers of four different types do not dissociate the Keap1–EGFP:mCherry–Cul3 complex. -- Abstract: Transcription factor NF-E2 p45-related factor 2 (Nrf2) regulates the expression of a network of genes encoding drug-detoxification, anti-inflammatory, and metabolic enzymes, as well as proteins involved in the regulation of cellular redox homeostasis. Under basal conditions, Kelch-like ECH associated protein 1 (Keap1) targets Nrf2 for ubiquitination and proteasomal degradation via association with Cullin3 (Cul3)-based Rbx1 E3 ubiquitin ligase. Various small molecules (inducers) activate Nrf2 leading to upregulation of cytoprotective gene expression. Inducers chemically modify specific cysteine residues of Keap1 which ultimately loses its ability to target Nrf2 for degradation. Dissociation of the Keap1–Cul3 complex by inducers is one possible mechanism, but evidence in single live cells is lacking. To investigate the diffusion dynamics of the Keap1–Cul3 interaction and the effect of inducers, we developed a quantitative fluorescence recovery after photobleaching (FRAP)-based system using Keap1–EGFP and mCherry–Cul3 fusion proteins. We show that Keap1–EGFP and mCherry–Cul3 interact in single live cells. Exposure for 1 h to small-molecule inducers of 4 different types, the oleanane triterpenoid CDDO, the isothiocyanate sulforaphane, the sulfoxythiocarbamate STCA, and the oxidant hydrogen peroxide which target distinct cysteine sensors within Keap1 with potencies which differ by nearly 4000-fold, does not dissociate the Keap1–Cul3 complex. As inducers cause conformational changes

  17. Modelling Population Dynamics in Realistic Landscapes with Linear Elements: A Mechanistic-Statistical Reaction-Diffusion Approach.

    Directory of Open Access Journals (Sweden)

    Lionel Roques

    Full Text Available We propose and develop a general approach based on reaction-diffusion equations for modelling a species dynamics in a realistic two-dimensional (2D landscape crossed by linear one-dimensional (1D corridors, such as roads, hedgerows or rivers. Our approach is based on a hybrid "2D/1D model", i.e, a system of 2D and 1D reaction-diffusion equations with homogeneous coefficients, in which each equation describes the population dynamics in a given 2D or 1D element of the landscape. Using the example of the range expansion of the tiger mosquito Aedes albopictus in France and its main highways as 1D corridors, we show that the model can be fitted to realistic observation data. We develop a mechanistic-statistical approach, based on the coupling between a model of population dynamics and a probabilistic model of the observation process. This allows us to bridge the gap between the data (3 levels of infestation, at the scale of a French department and the output of the model (population densities at each point of the landscape, and to estimate the model parameter values using a maximum-likelihood approach. Using classical model comparison criteria, we obtain a better fit and a better predictive power with the 2D/1D model than with a standard homogeneous reaction-diffusion model. This shows the potential importance of taking into account the effect of the corridors (highways in the present case on species dynamics. With regard to the particular case of A. albopictus, the conclusion that highways played an important role in species range expansion in mainland France is consistent with recent findings from the literature.

  18. Modelling Population Dynamics in Realistic Landscapes with Linear Elements: A Mechanistic-Statistical Reaction-Diffusion Approach

    Science.gov (United States)

    2016-01-01

    We propose and develop a general approach based on reaction-diffusion equations for modelling a species dynamics in a realistic two-dimensional (2D) landscape crossed by linear one-dimensional (1D) corridors, such as roads, hedgerows or rivers. Our approach is based on a hybrid “2D/1D model”, i.e, a system of 2D and 1D reaction-diffusion equations with homogeneous coefficients, in which each equation describes the population dynamics in a given 2D or 1D element of the landscape. Using the example of the range expansion of the tiger mosquito Aedes albopictus in France and its main highways as 1D corridors, we show that the model can be fitted to realistic observation data. We develop a mechanistic-statistical approach, based on the coupling between a model of population dynamics and a probabilistic model of the observation process. This allows us to bridge the gap between the data (3 levels of infestation, at the scale of a French department) and the output of the model (population densities at each point of the landscape), and to estimate the model parameter values using a maximum-likelihood approach. Using classical model comparison criteria, we obtain a better fit and a better predictive power with the 2D/1D model than with a standard homogeneous reaction-diffusion model. This shows the potential importance of taking into account the effect of the corridors (highways in the present case) on species dynamics. With regard to the particular case of A. albopictus, the conclusion that highways played an important role in species range expansion in mainland France is consistent with recent findings from the literature. PMID:26986201

  19. Modelling Population Dynamics in Realistic Landscapes with Linear Elements: A Mechanistic-Statistical Reaction-Diffusion Approach.

    Science.gov (United States)

    Roques, Lionel; Bonnefon, Olivier

    2016-01-01

    We propose and develop a general approach based on reaction-diffusion equations for modelling a species dynamics in a realistic two-dimensional (2D) landscape crossed by linear one-dimensional (1D) corridors, such as roads, hedgerows or rivers. Our approach is based on a hybrid "2D/1D model", i.e, a system of 2D and 1D reaction-diffusion equations with homogeneous coefficients, in which each equation describes the population dynamics in a given 2D or 1D element of the landscape. Using the example of the range expansion of the tiger mosquito Aedes albopictus in France and its main highways as 1D corridors, we show that the model can be fitted to realistic observation data. We develop a mechanistic-statistical approach, based on the coupling between a model of population dynamics and a probabilistic model of the observation process. This allows us to bridge the gap between the data (3 levels of infestation, at the scale of a French department) and the output of the model (population densities at each point of the landscape), and to estimate the model parameter values using a maximum-likelihood approach. Using classical model comparison criteria, we obtain a better fit and a better predictive power with the 2D/1D model than with a standard homogeneous reaction-diffusion model. This shows the potential importance of taking into account the effect of the corridors (highways in the present case) on species dynamics. With regard to the particular case of A. albopictus, the conclusion that highways played an important role in species range expansion in mainland France is consistent with recent findings from the literature.

  20. Generalized Continuous-Time Random Walks (CTRW), Subordination by Hitting Times and Fractional Dynamics

    OpenAIRE

    Kolokoltsov, Vassili N.

    2007-01-01

    Functional limit theorem for continuous-time random walks (CTRW) are found in general case of dependent waiting times and jump sizes that are also position dependent. The limiting anomalous diffusion is described in terms of fractional dynamics. Probabilistic interpretation of generalized fractional evolution is given in terms of the random time change (subordination) by means of hitting times processes.

  1. Fickian dispersion is anomalous

    Science.gov (United States)

    Cushman, John H.; O'Malley, Dan

    2015-12-01

    The thesis put forward here is that the occurrence of Fickian dispersion in geophysical settings is a rare event and consequently should be labeled as anomalous. What people classically call anomalous is really the norm. In a Lagrangian setting, a process with mean square displacement which is proportional to time is generally labeled as Fickian dispersion. With a number of counter examples we show why this definition is fraught with difficulty. In a related discussion, we show an infinite second moment does not necessarily imply the process is super dispersive. By employing a rigorous mathematical definition of Fickian dispersion we illustrate why it is so hard to find a Fickian process. We go on to employ a number of renormalization group approaches to classify non-Fickian dispersive behavior. Scaling laws for the probability density function for a dispersive process, the distribution for the first passage times, the mean first passage time, and the finite-size Lyapunov exponent are presented for fixed points of both deterministic and stochastic renormalization group operators. The fixed points of the renormalization group operators are p-self-similar processes. A generalized renormalization group operator is introduced whose fixed points form a set of generalized self-similar processes. Power-law clocks are introduced to examine multi-scaling behavior. Several examples of these ideas are presented and discussed.

  2. Diffusion-advection within dynamic biological gaps driven by structural motion

    Science.gov (United States)

    Asaro, Robert J.; Zhu, Qiang; Lin, Kuanpo

    2018-04-01

    To study the significance of advection in the transport of solutes, or particles, within thin biological gaps (channels), we examine theoretically the process driven by stochastic fluid flow caused by random thermal structural motion, and we compare it with transport via diffusion. The model geometry chosen resembles the synaptic cleft; this choice is motivated by the cleft's readily modeled structure, which allows for well-defined mechanical and physical features that control the advection process. Our analysis defines a Péclet-like number, AD, that quantifies the ratio of time scales of advection versus diffusion. Another parameter, AM, is also defined by the analysis that quantifies the full potential extent of advection in the absence of diffusion. These parameters provide a clear and compact description of the interplay among the well-defined structural, geometric, and physical properties vis-a ̀-vis the advection versus diffusion process. For example, it is found that AD˜1 /R2 , where R is the cleft diameter and hence diffusion distance. This curious, and perhaps unexpected, result follows from the dependence of structural motion that drives fluid flow on R . AM, on the other hand, is directly related (essentially proportional to) the energetic input into structural motion, and thereby to fluid flow, as well as to the mechanical stiffness of the cleftlike structure. Our model analysis thus provides unambiguous insight into the prospect of competition of advection versus diffusion within biological gaplike structures. The importance of the random, versus a regular, nature of structural motion and of the resulting transient nature of advection under random motion is made clear in our analysis. Further, by quantifying the effects of geometric and physical properties on the competition between advection and diffusion, our results clearly demonstrate the important role that metabolic energy (ATP) plays in this competitive process.

  3. Exploiting the time-dynamics of news diffusion on the Internet through a generalized Susceptible-Infected model

    Science.gov (United States)

    De Martino, Giuseppe; Spina, Serena

    2015-11-01

    We construct a news spreading model with a time dependent contact rate which generalizes the classical Susceptible-Infected model of epidemiology. In particular, we are interested on the time-dynamics of the sharing and diffusion process of news on the Internet. We focus on the counting process describing the number of connections to a given website, characterizing the cumulative density function of its inter-arrival times. Moreover, starting from the general form of the finite dimensional distribution of the process, we determine a formula for the time-variable rate of the connections and establish its relationship with the probability density function of the interarrival times. We finally show the effectiveness of our theoretical framework analyzing a real-world dataset, the Memetracker dataset, whose parameters characterizing the diffusion process are determined.

  4. Neural - levelset shape detection segmentation of brain tumors in dynamic susceptibility contrast enhanced and diffusion weighted magnetic resonance images

    International Nuclear Information System (INIS)

    Vijayakumar, C.; Bhargava, Sunil; Gharpure, Damayanti Chandrashekhar

    2008-01-01

    A novel Neuro - level set shape detection algorithm is proposed and evaluated for segmentation and grading of brain tumours. The algorithm evaluates vascular and cellular information provided by dynamic contrast susceptibility magnetic resonance images and apparent diffusion coefficient maps. The proposed neural shape detection algorithm is based on the levels at algorithm (shape detection algorithm) and utilizes a neural block to provide the speed image for the level set methods. In this study, two different architectures of level set method have been implemented and their results are compared. The results show that the proposed Neuro-shape detection performs better in differentiating the tumor, edema, necrosis in reconstructed images of perfusion and diffusion weighted magnetic resonance images. (author)

  5. Numerical simulation of dynamic flow characteristics in a centrifugal water pump with three-vaned diffuser

    Directory of Open Access Journals (Sweden)

    Zhi-Jun Shuai

    2015-08-01

    Full Text Available The complex three-dimensional turbulent flow field in a centrifugal water pump with three asymmetrical diffusers was numerically simulated. The characteristics of pressure and force fluctuations inside the model pump were investigated. Fast Fourier transformation was performed to obtain the spectra of pressure and force fluctuations. It indicates that the dominant frequency of pressure fluctuations is the blade passing frequency in all the sub-domains inside the pump and the first blade passing frequency energy (first order of blade passing frequency is the most significant. The dominant frequency of pressure fluctuations at the location of diffuser outlet is featured by low frequency (less than 1 Hz, which may be due to the locally generated eddy structures. Besides, the dominant frequency force fluctuations on the impeller blades are also the blade passing frequency. The existence of the three asymmetrical diffusers has damping effect on the pressure fluctuation amplitude and energy amplitude of pressure fluctuations in the diffuser domain dramatically, which indicates that the diffusers can effectively control the hydraulically excited vibration in the pump. Besides, the prediction of the dominant frequency of pressure fluctuations inside the pump can help to utilize the pump effectively and to extend the pump life. The main findings of this work can provide prediction of the pump performance and information for further optimal design of centrifugal pumps as well.

  6. Hydrostatics and dynamical large deviations for a reaction-diffusion model

    OpenAIRE

    Landim, Claudio; Tsunoda, Kenkichi

    2015-01-01

    We consider the superposition of a symmetric simple exclusion dynamics, speeded-up in time, with a spin-flip dynamics in a one-dimensional interval with periodic boundary conditions. We prove the hydrostatics and the dynamical large deviation principle.

  7. 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)

  8. Coupled information diffusion--pest dynamics models predict delayed benefits of farmer cooperation in pest management programs.

    Science.gov (United States)

    Rebaudo, François; Dangles, Olivier

    2011-10-01

    Worldwide, the theory and practice of agricultural extension system have been dominated for almost half a century by Rogers' "diffusion of innovation theory". In particular, the success of integrated pest management (IPM) extension programs depends on the effectiveness of IPM information diffusion from trained farmers to other farmers, an important assumption which underpins funding from development organizations. Here we developed an innovative approach through an agent-based model (ABM) combining social (diffusion theory) and biological (pest population dynamics) models to study the role of cooperation among small-scale farmers to share IPM information for controlling an invasive pest. The model was implemented with field data, including learning processes and control efficiency, from large scale surveys in the Ecuadorian Andes. Our results predict that although cooperation had short-term costs for individual farmers, it paid in the long run as it decreased pest infestation at the community scale. However, the slow learning process placed restrictions on the knowledge that could be generated within farmer communities over time, giving rise to natural lags in IPM diffusion and applications. We further showed that if individuals learn from others about the benefits of early prevention of new pests, then educational effort may have a sustainable long-run impact. Consistent with models of information diffusion theory, our results demonstrate how an integrated approach combining ecological and social systems would help better predict the success of IPM programs. This approach has potential beyond pest management as it could be applied to any resource management program seeking to spread innovations across populations.

  9. Scaling theory for anomalous semiclassical quantum transport

    Science.gov (United States)

    Sena-Junior, M. I.; Macêdo, A. M. S.

    2016-01-01

    Quantum transport through devices coupled to electron reservoirs can be described in terms of the full counting statistics (FCS) of charge transfer. Transport observables, such as conductance and shot-noise power are just cumulants of FCS and can be obtained from the sample's average density of transmission eigenvalues, which in turn can be obtained from a finite element representation of the saddle-point equation of the Keldysh (or supersymmetric) nonlinear sigma model, known as quantum circuit theory. Normal universal metallic behavior in the semiclassical regime is controlled by the presence of a Fabry-Pérot singularity in the average density of transmission eigenvalues. We present general conditions for the suppression of Fabry-Pérot modes in the semiclassical regime in a sample of arbitrary shape, a disordered conductor or a network of ballistic quantum dots, which leads to an anomalous metallic phase. Through a double-scaling limit, we derive a scaling equation for anomalous metallic transport, in the form of a nonlinear differential equation, which generalizes the ballistic-diffusive scaling equation of a normal metal. The two-parameter stationary solution of our scaling equation generalizes Dorokhov's universal single-parameter distribution of transmission eigenvalues. We provide a simple interpretation of the stationary solution using a thermodynamic analogy with a spin-glass system. As an application, we consider a system formed by a diffusive wire coupled via a barrier to normal-superconductor reservoirs. We observe anomalous reflectionless tunneling, when all perfectly transmitting channels are suppressed, which cannot be explained by the usual mechanism of disorder-induced opening of tunneling channels.

  10. 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...

  11. Anomalous hydrodynamics in two dimensions

    Indian Academy of Sciences (India)

    Keywords. Anomalous hydrodynamics; gauge anomaly; gravitational anomaly. PACS No. 47.10.ab. The chiral anomaly has played a ubiquitous role in modern physics. It has found appli- cations in several diverse fields like quantum wires, quantum Hall effect, chiral magnetic effect and anomalous hydrodynamics, to name ...

  12. Cardiac-gated intravoxel incoherent motion diffusion-weighted magnetic resonance imaging for the investigation of intracranial cerebrospinal fluid dynamics in the lateral ventricle: a feasibility study.

    Science.gov (United States)

    Surer, Eddie; Rossi, Cristina; Becker, Anton S; Finkenstaedt, Tim; Wurnig, Moritz C; Valavanis, Antonios; Winklhofer, Sebastian

    2018-04-01

    Intravoxel incoherent motion (IVIM) in diffusion-weighted magnetic resonance imaging (DW-MRI) attributes the signal attenuation to the molecular diffusion and to a faster pseudo-diffusion. Purpose of the study was to demonstrate the feasibility of IVIM for the investigation of intracranial cerebrospinal fluid (CSF) dynamics. Cardiac-gated DW-MRI images with fifteen b-values (0-1300s/mm 2 ) along three orthogonal directions (mediolateral (ML), anteroposterior (AP), and craniocaudal (CC)) were acquired during maximum systole and diastole in 10 healthy volunteers (6 males, mean age 36 ± 15 years). A pixel-wise bi-exponential fitting with an iterative nonparametric algorithm was carried out to calculate the following parameters: diffusion coefficient (D), fast diffusion coefficient (D*), and fraction of fast diffusion (f). Region of interest measurements were performed in both lateral ventricles. Comparison of IVIM parameters was performed among two cardiac cycle acquisitions and among the diffusion-encoding directions using a paired Student's t test. f significantly (p  0.05 each). The fraction of fast diffusion from IVIM is feasible to detect a direction-dependent and cardiac-dependent pulsatile CSF flow within the lateral ventricles allowing for quantitative monitoring of CSF dynamics. This technique might provide opportunities to further investigate the pathophysiology of various neurological disorders involving altered CSF dynamics.

  13. Anomalous Transport of High Energy Cosmic Rays in Galactic Superbubbles

    Science.gov (United States)

    Barghouty, Nasser F.

    2014-01-01

    High-energy cosmic rays may exhibit anomalous transport as they traverse and are accelerated by a collection of supernovae explosions in a galactic superbubble. Signatures of this anomalous transport can show up in the particles' evolution and their spectra. In a continuous-time-random- walk (CTRW) model assuming standard diffusive shock acceleration theory (DSA) for each shock encounter, and where the superbubble (an OB stars association) is idealized as a heterogeneous region of particle sources and sinks, acceleration and transport in the superbubble can be shown to be sub-diffusive. While the sub-diffusive transport can be attributed to the stochastic nature of the acceleration time according to DSA theory, the spectral break appears to be an artifact of transport in a finite medium. These CTRW simulations point to a new and intriguing phenomenon associated with the statistical nature of collective acceleration of high energy cosmic rays in galactic superbubbles.

  14. Optically Anomalous Crystals

    CERN Document Server

    Shtukenberg, Alexander; Kahr, Bart

    2007-01-01

    Optical anomalies in crystals are puzzles that collectively constituted the greatest unsolved problems in crystallography in the 19th Century. The most common anomaly is a discrepancy between a crystal’s symmetry as determined by its shape or by X-ray analysis, and that determined by monitoring the polarization state of traversing light. These discrepancies were perceived as a great impediment to the development of the sciences of crystals on the basis of Curie’s Symmetry Principle, the grand organizing idea in the physical sciences to emerge in the latter half of the 19th Century. Optically Anomalous Crystals begins with an historical introduction covering the contributions of Brewster, Biot, Mallard, Brauns, Tamman, and many other distinguished crystallographers. From this follows a tutorial in crystal optics. Further chapters discuss the two main mechanisms of optical dissymmetry: 1. the piezo-optic effect, and 2. the kinetic ordering of atoms. The text then tackles complex, inhomogeneous crystals, and...

  15. Analytical Solution of Nonlinear Dynamics of a Self-Igniting Reaction-Diffusion System Using Modified Adomian Decomposition Method

    Directory of Open Access Journals (Sweden)

    Felicia Shirly Peace

    2014-01-01

    Full Text Available A mathematical model of the dynamics of the self-ignition of a reaction-diffusion system is studied in this paper. An approximate analytical method (modified Adomian decomposition method is used to solve nonlinear differential equations under steady-state condition. Analytical expressions for concentrations of the gas reactant and the temperature have been derived for Lewis number (Le and parameters β, γ, and ϕ2. Furthermore, in this work, the numerical simulation of the problem is also reported using MATLAB program. An agreement between analytical and numerical results is noted.

  16. Market diffusion, technological learning, and cost-benefit dynamics of condensing gas boilers in the Netherlands

    NARCIS (Netherlands)

    Weiss, M.; Dittmar, L.; Junginger, H.M.; Patel, M.K.; Blok, K.

    2009-01-01

    High costs often prevent the market diffusion of novel and efficient energy technologies. Monitoring cost and price decline for these technologies is thus important in order to establish effective energy policy. Here, we present experience curves and cost-benefit analyses for condensing gas boilers

  17. Visualizing MR diffusion tensor fields by dynamic fiber tracking and uncertainty mapping

    NARCIS (Netherlands)

    Ehricke, HH; Klose, U; Grodd, W

    Recent advances in magnetic resonance imaging have provided methods for the acquisition of high-resolution diffusion tensor fields. Their 3D-visualization with streamline-based techniques-called fiber tracking-allow analysis of cerebral white matter tracts for diagnostic, therapeutic as well as

  18. Insights into the dynamics of hereditary diffuse leukoencephalopathy with axonal spheroids

    Science.gov (United States)

    Van Gerpen, J A.; Wider, C; Broderick, D F.; Dickson, D W.; Brown, L A.; Wszolek, Z K.

    2008-01-01

    Objective: To report a new American family with hereditary diffuse leukoencephalopathy with spheroids (HDLS), including serial, presymptomatic and symptomatic, cranial MRIs from the proband. Methods: We report clinical and genealogic investigations of an HDLS family, sequential brain MRIs of the proband, and autopsy slides of brain tissue from the proband’s father. Results: We identified seven affected family members (five deceased). The mean age at symptomatic disease onset was 35 years (range: 20–57), and the mean disease duration was 16 years (range: 3–46). Five affected individuals initially manifested memory disturbance and behavioral changes, whereas two experienced a mood disorder as their presenting symptom. Our proband’s father had been diagnosed clinically with vascular dementia, but his brain autopsy was consistent with HDLS. The proband had a cranial MRI prior to symptom onset, with two subsequent MRIs performed during follow-up. These serial images reveal a progressive, confluent, frontal-predominant leukoencephalopathy with symmetric cortical atrophy. Conclusions: The proband of our newly identified hereditary diffuse leukoencephalopathy with spheroids (HDLS) kindred had subtle evidence of an incipient leukoencephalopathy on a presymptomatic cranial MRI. Conceivably, MRI may facilitate identifying affected presymptomatic individuals within known HDLS kindreds, increasing the likelihood of isolating the causative genes. GLOSSARY DLS = diffuse leukoencephalopathy with spheroids; FLAIR = fluid-attenuated inversion recovery; HDLS = hereditary diffuse leukoencephalopathy with spheroids; LENAS = leukoencephalopathy with neuroaxonal spheroids; LFB = Luxol fast blue; NAL = neuroaxonal leukodystrophy; POLD = pigmentary type of orthochromatic leukodystrophy. PMID:18794495

  19. A microscopic model for gas diffusion dynamics in a [NiFe]-hydrogenase.

    Science.gov (United States)

    Wang, Po-hung; Best, Robert B; Blumberger, Jochen

    2011-05-07

    We describe and apply a microscopic model for the calculation of gas diffusion rates in a [NiFe]-hydrogenase. This enzyme has attracted much interest for use as a H(2) oxidising catalyst in biofuel cells, but a major problem is their inhibition by CO and O(2). In our model, the diffusive hopping of gas molecules in the protein interior is coarse grained using a master equation approach with transition rates estimated from equilibrium and non-equilibrium pulling simulations. Propagating the rate matrix in time, we find that the probability for a gas molecule to reach the enzyme active site follows a mono-exponential increase. Fits to a phenomenological rate law give an effective diffusion rate constant for CO that is in very good agreement with experimental measurements. We find that CO prefers to move along the canonical 'hydrophobic' main channel towards the active site, in contrast to O(2) and H(2), which were previously shown to explore larger fractions of the protein. Differences in the diffusion of the three gases are discussed in light of recent efforts to engineer a gas selectivity filter in the enzyme. This journal is © the Owner Societies 2011

  20. Novel diffusion cell for in vitro transdermal permeation, compatible with automated dynamic sampling

    NARCIS (Netherlands)

    Bosman, I.J; Lawant, A.L; Avegaart, S.R.; Ensing, K; de Zeeuw, R.A

    The development of a new diffusion cell for in vitro transdermal permeation is described. The so-called Kelder cells were used in combination with the ASPEC system (Automatic Sample Preparation with Extraction Columns), which is designed for the automation of solid-phase extractions (SPE). Instead

  1. Cellular automata approach for the dynamics of HIV infection under antiretroviral therapies: The role of the virus diffusion

    Science.gov (United States)

    González, Ramón E. R.; de Figueirêdo, Pedro Hugo; Coutinho, Sérgio

    2013-10-01

    We study a cellular automata model to test the timing of antiretroviral therapy strategies for the dynamics of infection with human immunodeficiency virus (HIV). We focus on the role of virus diffusion when its population is included in previous cellular automata model that describes the dynamics of the lymphocytes cells population during infection. This inclusion allows us to consider the spread of infection by the virus-cell interaction, beyond that which occurs by cell-cell contagion. The results show an acceleration of the infectious process in the absence of treatment, but show better efficiency in reducing the risk of the onset of AIDS when combined antiretroviral therapies are used even with drugs of low effectiveness. Comparison of results with clinical data supports the conclusions of this study.

  2. Hybrid approach combining dissipative particle dynamics and finite-difference diffusion model: simulation of reactive polymer coupling and interfacial polymerization.

    Science.gov (United States)

    Berezkin, Anatoly V; Kudryavtsev, Yaroslav V

    2013-10-21

    A novel hybrid approach combining dissipative particle dynamics (DPD) and finite difference (FD) solution of partial differential equations is proposed to simulate complex reaction-diffusion phenomena in heterogeneous systems. DPD is used for the detailed molecular modeling of mass transfer, chemical reactions, and phase separation near the liquid∕liquid interface, while FD approach is applied to describe the large-scale diffusion of reactants outside the reaction zone. A smooth, self-consistent procedure of matching the solute concentration is performed in the buffer region between the DPD and FD domains. The new model is tested on a simple model system admitting an analytical solution for the diffusion controlled regime and then applied to simulate practically important heterogeneous processes of (i) reactive coupling between immiscible end-functionalized polymers and (ii) interfacial polymerization of two monomers dissolved in immiscible solvents. The results obtained due to extending the space and time scales accessible to modeling provide new insights into the kinetics and mechanism of those processes and demonstrate high robustness and accuracy of the novel technique.

  3. Lattice Boltzmann simulation of phase separation under dynamic temperature and shear: Coupling effects of shear convection and thermal diffusion.

    Science.gov (United States)

    Heping, Wang; Xingguo, Geng; Xiaoguang, Li; Duyang, Zang

    2016-10-01

    This paper presents an exploration of the separation behavior and pattern formation in a shear binary fluid with dynamic temperature after slow cooling via coupled lattice Boltzmann method. The phase separation procedure can be divided into three different stages: spinodal decomposition, domain growth, and domain stretch. The effect of thermal diffusion was observed to be more significant than that of shear convection in the spinodal decomposition stage, while the opposite was observed in the domain growth stage. The slow cooling temperature field significantly prolonged the spinodal decomposition stage, and decreased the separated domain size in domain growth stage. The phase behavior and pattern formation from the disordered state into the coexistence state after slow cooling was investigated during the domain stretch stage. Two typical length scales were obtained according to the equilibrium of two phases, where the number of layers in the corresponding domains was controllable by adjusting the Prandtl number for systems of different scales. The manner in which various viscosities and thermal diffusivities influence the morphologies and kinetic characterizations of the materials was also demonstrated: numerical results indicated that decrease in viscosity can cause increase in the growth exponents of separation fronts and velocity of domain growth, as well as increase in thermal diffusion.

  4. Sensitivity of Rabbit Ventricular Action Potential and Ca2+ Dynamics to Small Variations in Membrane Currents and Ion Diffusion Coefficients

    Directory of Open Access Journals (Sweden)

    Yuan Hung Lo

    2013-01-01

    Full Text Available Little is known about how small variations in ionic currents and Ca2+ and Na+ diffusion coefficients impact action potential and Ca2+ dynamics in rabbit ventricular myocytes. We applied sensitivity analysis to quantify the sensitivity of Shannon et al. model (Biophys. J., 2004 to 5%–10% changes in currents conductance, channels distribution, and ion diffusion in rabbit ventricular cells. We found that action potential duration and Ca2+ peaks are highly sensitive to 10% increase in L-type Ca2+ current; moderately influenced by 10% increase in Na+-Ca2+ exchanger, Na+-K+ pump, rapid delayed and slow transient outward K+ currents, and Cl− background current; insensitive to 10% increases in all other ionic currents and sarcoplasmic reticulum Ca2+ fluxes. Cell electrical activity is strongly affected by 5% shift of L-type Ca2+ channels and Na+-Ca2+ exchanger in between junctional and submembrane spaces while Ca2+-activated Cl−-channel redistribution has the modest effect. Small changes in submembrane and cytosolic diffusion coefficients for Ca2+, but not in Na+ transfer, may alter notably myocyte contraction. Our studies highlight the need for more precise measurements and further extending and testing of the Shannon et al. model. Our results demonstrate usefulness of sensitivity analysis to identify specific knowledge gaps and controversies related to ventricular cell electrophysiology and Ca2+ signaling.

  5. Multi-charge-state molecular dynamics and self-diffusion coefficient in the warm dense matter regime

    Science.gov (United States)

    Fu, Yongsheng; Hou, Yong; Kang, Dongdong; Gao, Cheng; Jin, Fengtao; Yuan, Jianmin

    2018-01-01

    We present a multi-ion molecular dynamics (MIMD) simulation and apply it to calculating the self-diffusion coefficients of ions with different charge-states in the warm dense matter (WDM) regime. First, the method is used for the self-consistent calculation of electron structures of different charge-state ions in the ion sphere, with the ion-sphere radii being determined by the plasma density and the ion charges. The ionic fraction is then obtained by solving the Saha equation, taking account of interactions among different charge-state ions in the system, and ion-ion pair potentials are computed using the modified Gordon-Kim method in the framework of temperature-dependent density functional theory on the basis of the electron structures. Finally, MIMD is used to calculate ionic self-diffusion coefficients from the velocity correlation function according to the Green-Kubo relation. A comparison with the results of the average-atom model shows that different statistical processes will influence the ionic diffusion coefficient in the WDM regime.

  6. Diffusion-weighted and dynamic contrast-enhanced imaging as markers of clinical behavior in children with optic pathway glioma

    Energy Technology Data Exchange (ETDEWEB)

    Jost, Sarah C. [Swedish Neuroscience Institute, Department of Neurosurgery, Seattle, WA (United States); Ackerman, Joseph W. [Washington University School of Medicine, Department of Radiology, 660 South Euclid Ave., Box 8131, St. Louis, MO (United States); Garbow, Joel R. [Washington University School of Medicine, Department of Radiology, 660 South Euclid Ave., Box 8131, St. Louis, MO (United States); Alvin J. Siteman Cancer Center, St. Louis, MO (United States); Manwaring, Linda P. [Washington University School of Medicine, Department of Pediatrics, St. Louis, MO (United States); Washington University School of Medicine, Department of Genetics and Genomic Medicine, St. Louis, MO (United States); Gutmann, David H. [Washington University School of Medicine, Department of Neurology, St. Louis, MO (United States); Alvin J. Siteman Cancer Center, St. Louis, MO (United States); McKinstry, Robert C. [Washington University School of Medicine, Department of Radiology, 660 South Euclid Ave., Box 8131, St. Louis, MO (United States); Washington University School of Medicine, Department of Pediatrics, St. Louis, MO (United States)

    2008-12-15

    Optic pathway gliomas (OPGs) are common pediatric brain tumors that pose significant clinical challenges with regard to predicting which tumors are likely to become symptomatic and require treatment. These tumors can arise sporadically or in the context of the inherited cancer predisposition syndrome neurofibromatosis type 1 (NF1). Few studies have suggested biological or imaging markers that predict the clinical course of this disease. In this cross-sectional study, we hypothesized that the clinical behavior of OPGs in children can be differentiated by diffusion-weighted (DW) and dynamic contrast-enhanced (DCE) MRI. A total of 27 children with OPG were studied using DW and DCE MRI protocols. Diffusivity and permeability were calculated and correlated with the clinical behavior the OPG. Mean diffusivity values of 1.39 {mu}m{sup 2}/ms and mean permeability values of 2.10 ml/min per 100 cm{sup 3} of tissue were measured. Clinically aggressive OPGs had significantly higher mean permeability values (P = 0.05) than clinically stable tumors. In addition, there was a strong correlation between clinical aggressiveness and the absence of NF1 (P < 0.01). These results suggest that DCE MRI might be a useful biomarker for clinically aggressive OPG, which should be confirmed in larger prospective longitudinal studies. (orig.)

  7. Dynamical difference between the cD galaxy and the diffuse, stellar component in simulated galaxy clusters

    Science.gov (United States)

    Dolag, K.; Murante, G.; Borgani, S.

    2010-07-01

    Member galaxies within galaxy clusters nowadays can be routinely identified in cosmological, hydrodynamical simulations using methods based on identifying self bound, locally over dense substructures. However, distinguishing the central galaxy from the stellar diffuse component within clusters is notoriously difficult, and in the centre it is not even clear if two distinct stellar populations exist. Here, after subtracting all member galaxies, we use the velocity distribution of the remaining stars and detect two dynamically, well-distinct stellar components within simulated galaxy clusters. These differences in the dynamics can be used to apply an unbinding procedure which leads to a spatial separation of the two components into a cD and a diffuse stellar component (DSC). Applying our new algorithm to a cosmological, hydrodynamical simulation we find that - in line with previous studies - these two components have clearly distinguished spatial and velocity distributions as well as different star formation histories. We show that the DSC fraction - which can broadly be associated with the observed intracluster light - does not depend on the virial mass of the galaxy cluster and is much more sensitive to the formation history of the cluster. We conclude that the separation of the cD and the DSC in simulations, based on our dynamical criteria, is more physically motivated than current methods which depend on implicit assumptions on a length-scale associated with the cD galaxy and therefore represent a step forward in understanding the different stellar components within galaxy clusters. Our results also show the importance of analysing the dynamics of the DSC to characterize its properties and understand its origin.

  8. A comparative molecular dynamics study of diffusion of n-decane ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. Molecular dynamics simulations are reported on the structure and dynamics of n-decane and. 3-methylpentane in zeolite NaY. We have calculated several properties such as the center of mass-center of mass rdf, the end-end distance distribution, bond angle distribution and dihedral angle distribution. We.

  9. Dynamical Analysis of a Plateau Pika with Cross-Diffusion under Contraception Control

    Directory of Open Access Journals (Sweden)

    Xiaoyan Wang

    2014-01-01

    Full Text Available A plateau pika model with spatial cross-diffusion is investigated. By analyzing the corresponding characteristic equations, the local stability of an coexistence steady state is discussed when d21 is small enough. However, when d21 is large enough, the model shows Turing bifurcation if B2 -4AC > 0. Furthermore, it is proved that if, R > R0, βK > d and cross-diffusion rates are zero, the positive coexistence steady state is globally asymptotically stable. A nonconstant positive solution bifurcates from the coexistent steady state by the Leray-Schauder degree theory. Numerical simulations are carried out to illustrate the main results.

  10. Diffusive Spin Dynamics in Ferromagnetic Thin Films with a Rashba Interaction

    KAUST Repository

    Wang, Xuhui

    2012-03-13

    In a ferromagnetic metal layer, the coupled charge and spin diffusion equations are obtained in the presence of both Rashba spin-orbit interaction and magnetism. The misalignment between the magnetization and the nonequilibrium spin density induced by the Rashba field gives rise to Rashba spin torque acting on the ferromagnetic order parameter. In a general form, we find that the Rashba torque consists of both in-plane and out-of-plane components, i.e., T=T Sy×m+T Sm×(y×m). Numerical simulations on a two-dimensional nanowire consider the impact of diffusion on the Rashba torque and reveal a large enhancement to the ratio T/T S for thin wires. Our theory provides an explanation for the mechanism driving the magnetization switching in a single ferromagnet as observed in the recent experiments. © 2012 American Physical Society.

  11. Phase transitions, melting dynamics, and solid-state diffusion in a nano test tube.

    Science.gov (United States)

    Holmberg, Vincent C; Panthani, Matthew G; Korgel, Brian A

    2009-10-16

    Confined nanoscale geometry greatly influences physical transformations in materials. The electron microscope enables direct visualization of these changes. We examined the evolution of a germanium (Ge) nanowire attached to a gold (Au) nanocrystal as it was heated to 900 degrees C. The application of a carbon shell prevented changes in volume and interfacial area during the heating cycle. Au/Ge eutectic formation was visualized, occurring 15 degrees C below the bulk eutectic temperature. Capillary pressure pushed the melt into the cylindrical neck of the nanowire, and Ge crystallized in the spherical tip of the carbon shell. Solid-state diffusion down the length of the confined Ge nanowire was observed at temperatures above 700 degrees C; Au diffusion was several orders of magnitude slower than in a bulk Ge crystal.

  12. Diffusion dynamics and concentration of toxic materials from quantum dots-based nanotechnologies: an agent-based modeling simulation framework

    International Nuclear Information System (INIS)

    Agusdinata, Datu Buyung; Amouie, Mahbod; Xu, Tao

    2015-01-01

    Due to their favorable electrical and optical properties, quantum dots (QDs) nanostructures have found numerous applications including nanomedicine and photovoltaic cells. However, increased future production, use, and disposal of engineered QD products also raise concerns about their potential environmental impacts. The objective of this work is to establish a modeling framework for predicting the diffusion dynamics and concentration of toxic materials released from Trioctylphosphine oxide-capped CdSe. To this end, an agent-based model simulation with reaction kinetics and Brownian motion dynamics was developed. Reaction kinetics is used to model the stability of surface capping agent particularly due to oxidation process. The diffusion of toxic Cd 2+ ions in aquatic environment was simulated using an adapted Brownian motion algorithm. A calibrated parameter to reflect sensitivity to reaction rate is proposed. The model output demonstrates the stochastic spatial distribution of toxic Cd 2+ ions under different values of proxy environmental factor parameters. With the only chemistry considered was oxidation, the simulation was able to replicate Cd 2+ ion release from Thiol-capped QDs in aerated water. The agent-based method is the first to be developed in the QDs application domain. It adds both simplicity of the solubility and rate of release of Cd 2+ ions and complexity of tracking of individual atoms of Cd at the same time

  13. Diffusion Dynamics of Energy Saving Practices in Large Heterogeneous Online Networks.

    Science.gov (United States)

    Mohammadi, Neda; Wang, Qi; Taylor, John E

    2016-01-01

    Online social networks are today's fastest growing communications channel and a popular source of information for many, so understanding their contribution to building awareness and shaping public perceptions of climate change is of utmost importance. Today's online social networks are composed of complex combinations of entities and communication channels and it is not clear which communicators are the most influential, what the patterns of communication flow are, or even whether the widely accepted two-step flow of communication model applies in this new arena. This study examines the diffusion of energy saving practices in a large online social network across organizations, opinion leaders, and the public by tracking 108,771 communications on energy saving practices among 1,084 communicators, then analyzing the flow of information and influence over a 28 day period. Our findings suggest that diffusion networks of messages advocating energy saving practices are predominantly led by the activities of dedicated organizations but their attempts do not result in substantial public awareness, as most of these communications are effectively trapped in organizational loops in which messages are simply shared between organizations. Despite their comparably significant influential values, opinion leaders played a weak role in diffusing energy saving practices to a wider audience. Thus, the two-step flow of communication model does not appear to describe the sharing of energy conservation practices in large online heterogeneous networks. These results shed new light on the underlying mechanisms driving the diffusion of important societal issues such as energy efficiency, particularly in the context of large online social media outlets.

  14. Diffusion Dynamics of Energy Saving Practices in Large Heterogeneous Online Networks.

    Directory of Open Access Journals (Sweden)

    Neda Mohammadi

    Full Text Available Online social networks are today's fastest growing communications channel and a popular source of information for many, so understanding their contribution to building awareness and shaping public perceptions of climate change is of utmost importance. Today's online social networks are composed of complex combinations of entities and communication channels and it is not clear which communicators are the most influential, what the patterns of communication flow are, or even whether the widely accepted two-step flow of communication model applies in this new arena. This study examines the diffusion of energy saving practices in a large online social network across organizations, opinion leaders, and the public by tracking 108,771 communications on energy saving practices among 1,084 communicators, then analyzing the flow of information and influence over a 28 day period. Our findings suggest that diffusion networks of messages advocating energy saving practices are predominantly led by the activities of dedicated organizations but their attempts do not result in substantial public awareness, as most of these communications are effectively trapped in organizational loops in which messages are simply shared between organizations. Despite their comparably significant influential values, opinion leaders played a weak role in diffusing energy saving practices to a wider audience. Thus, the two-step flow of communication model does not appear to describe the sharing of energy conservation practices in large online heterogeneous networks. These results shed new light on the underlying mechanisms driving the diffusion of important societal issues such as energy efficiency, particularly in the context of large online social media outlets.

  15. Influence of ultrasonic vibrations on thermal diffuse scattering in X-ray dynamical diffraction conditions

    CERN Document Server

    Kovalchuk, M V; Nosik, V L

    2001-01-01

    A theory of thermal diffuse scattering (TDS) in a crystal disturbed by high frequency ultrasonic vibrations is considered. In this case additional X-ray reflexes (satellites) are formed which can be used for obtaining information about vibrational excitations in a crystal. By varying the incident angle one can excite all the satellites one after another and detect the variation in the TDS yield. The possibilities of the experimental observation of these phenomena will also be discussed.

  16. Dynamics of a Diffusive Predator-Prey Model with Allee Effect on Predator

    Directory of Open Access Journals (Sweden)

    Xiaoqin Wang

    2013-01-01

    Full Text Available The reaction-diffusion Holling-Tanner prey-predator model considering the Allee effect on predator, under zero-flux boundary conditions, is discussed. Some properties of the solutions, such as dissipation and persistence, are obtained. Local and global stability of the positive equilibrium and Turing instability are studied. With the help of the numerical simulations, the rich Turing patterns, including holes, stripes, and spots patterns, are obtained.

  17. Size and diffusion phenomena of AOT/alcohol/water system in the presence of morin by dynamic light scattering.

    Science.gov (United States)

    Bhattarai, Ajaya; Wilczura-Wachnik, Hanna

    2015-01-30

    Presented paper is a continuation of our studies on morin interaction with AOT (sodium bis(2-ethylhexyl) sulfosuccinate) reversed micelles solutions in two solvents: ethanol and n-decanol. Now we focused on morin influence on size and diffusion phenomena in the system morin/solvent/AOT/water. In this paper precise measurements of dynamic light scattering (DLS) of the effects of temperature, solvents (alcohols), water on the size and diffusion of AOT reversed micelles in the morin/AOT/alcohol/water system are reported. The concentrations of AOT were varied from 0.51 to 0.78mol/L. Morin concentration in during auto-correlation function registration was not the same in each solvent because of its different solubility depending on the solvent. Water concentration in the studied systems was defined by R parameter according to relation: R=(H2O)/(AOT) and was equal 0 and 30 in ethanol, and 0 in n-decanol. DLS measurements were done at 298.15 and 308.15K. DLS experiment involved on detection two relaxation modes (fast and slow) in the systems containing AOT reversed micelles, water, morin and solvents (ethanol and n-decanol). The DLS data clearly show the solvent influence as well as morin presence on AOT reversed micelles size and consequently their diffusion coefficients. Contrary to n-decanol strong competition between morin and ethanol molecules in AOT reversed micelles palisade layer has been found. It suggests that morin molecules replaced ethanol in AOT reversed micelles and locate in their palisade layer strongly increasing AOT reversed micelles size. Furthermore, it was found a sharp increase in correlation radii of slow modes of AOT reversed micelles containing morin molecules and their diffusion coefficients diminishing. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. A diffusion based study of population dynamics: Prehistoric migrations into South Asia

    Science.gov (United States)

    Vahia, Mayank N.; Yadav, Nisha; Ladiwala, Uma; Mathur, Deepak

    2017-01-01

    A diffusion equation has been used to study migration of early humans into the South Asian subcontinent. The diffusion equation is tempered by a set of parameters that account for geographical features like proximity to water resources, altitude, and flatness of land. The ensuing diffusion of populations is followed in time-dependent computer simulations carried out over a period of 10,000 YBP. The geographical parameters are determined from readily-available satellite data. The results of our computer simulations are compared to recent genetic data so as to better correlate the migratory patterns of various populations; they suggest that the initial populations started to coalesce around 4,000 YBP before the commencement of a period of relative geographical isolation of each population group. The period during which coalescence of populations occurred appears consistent with the established timeline associated with the Harappan civilization and also, with genetic admixing that recent genetic mapping data reveal. Our results may contribute to providing a timeline for the movement of prehistoric people. Most significantly, our results appear to suggest that the Ancestral Austro-Asiatic population entered the subcontinent through an easterly direction, potentially resolving a hitherto-contentious issue. PMID:28493906

  19. Study on fitness functions of genetic algorithm for dynamically correcting nuclide atmospheric diffusion model

    International Nuclear Information System (INIS)

    Ji Zhilong; Ma Yuanwei; Wang Dezhong

    2014-01-01

    Background: In radioactive nuclides atmospheric diffusion models, the empirical dispersion coefficients were deduced under certain experiment conditions, whose difference with nuclear accident conditions is a source of deviation. A better estimation of the radioactive nuclide's actual dispersion process could be done by correcting dispersion coefficients with observation data, and Genetic Algorithm (GA) is an appropriate method for this correction procedure. Purpose: This study is to analyze the fitness functions' influence on the correction procedure and the forecast ability of diffusion model. Methods: GA, coupled with Lagrange dispersion model, was used in a numerical simulation to compare 4 fitness functions' impact on the correction result. Results: In the numerical simulation, the fitness function with observation deviation taken into consideration stands out when significant deviation exists in the observed data. After performing the correction procedure on the Kincaid experiment data, a significant boost was observed in the diffusion model's forecast ability. Conclusion: As the result shows, in order to improve dispersion models' forecast ability using GA, observation data should be given different weight in the fitness function corresponding to their error. (authors)

  20. A diffusion based study of population dynamics: Prehistoric migrations into South Asia.

    Directory of Open Access Journals (Sweden)

    Mayank N Vahia

    Full Text Available A diffusion equation has been used to study migration of early humans into the South Asian subcontinent. The diffusion equation is tempered by a set of parameters that account for geographical features like proximity to water resources, altitude, and flatness of land. The ensuing diffusion of populations is followed in time-dependent computer simulations carried out over a period of 10,000 YBP. The geographical parameters are determined from readily-available satellite data. The results of our computer simulations are compared to recent genetic data so as to better correlate the migratory patterns of various populations; they suggest that the initial populations started to coalesce around 4,000 YBP before the commencement of a period of relative geographical isolation of each population group. The period during which coalescence of populations occurred appears consistent with the established timeline associated with the Harappan civilization and also, with genetic admixing that recent genetic mapping data reveal. Our results may contribute to providing a timeline for the movement of prehistoric people. Most significantly, our results appear to suggest that the Ancestral Austro-Asiatic population entered the subcontinent through an easterly direction, potentially resolving a hitherto-contentious issue.

  1. Dynamic Contrast Enhanced Magnetic Resonance Imaging of Diffuse Spinal Bone Marrow Infiltration in Patients with Hematological Malignancies

    International Nuclear Information System (INIS)

    Zha, Yunfei; Li, Maojin; Yang, Jianyong

    2010-01-01

    To investigate the significance of the dynamic contrast enhanced magnetic resonance imaging (DCE-MRI) parameters of diffuse spinal bone marrow infiltration in patients with hematological malignancies. Dynamic gadolinium-enhanced MR imaging of the lumbar spine was performed in 26 patients with histologically proven diffuse bone marrow infiltration, including multiple myeloma (n = 6), acute lymphoblastic leukemia (n = 6), acute myeloid leukemia (n = 5), chronic myeloid leukemia (n = 7), and non-Hodgkin lymphoma (n = 2). Twenty subjects whose spinal MRI was normal, made up the control group. Peak enhancement percentage (E max ), enhancement slope (ES), and time to peak (TTP) were determined from a time intensity curve (TIC) of lumbar vertebral bone marrow. A comparison between baseline and follow-up MR images and its histological correlation were evaluated in 10 patients. The infiltration grade of hematopoietic marrow with plasma cells was evaluated by a histological assessment of bone marrow. Differences in E max , ES, and TTP values between the control group and the patients with diffuse bone marrow infiltration were significant (t = -11.51, -9.81 and 3.91, respectively, p max , ES, and TTP values were significantly different between bone marrow infiltration groups Grade 1 and Grade 2 (Z = -2.72, -2.24 and -2.89 respectively, p max , ES and TTP values were not significantly different between bone marrow infiltration groups Grade 2 and Grade 3 (Z = -1.57, -1.82 and -1.58 respectively, p > 0.05). A positive correlation was found between E max , ES values and the histological grade of bone marrow infiltration (r = 0.86 and 0.84 respectively, p max and ES values was observed with increased TTP values after treatment in all of the 10 patients who responded to treatment (t = -7.92, -4.55, and 5.12, respectively, p max , ES, and TTP can reflect the malignancies' histological grade

  2. Role of Fluid-Dynamics in Soot Formation and Microstructure in Acetylene-Air Laminar Diffusion Flames

    Directory of Open Access Journals (Sweden)

    Praveen Pandey

    2015-03-01

    Full Text Available Residence time and thermo-chemical environment are important factors in the soot-formation process in flames. Studies have revealed that flow-dynamics plays a dominant role in soot formation process. For understanding the effect of flow dynamics on soot formation and physical structure of the soot formed in different combustion environments two types of laminar diffusion flames of Acetylene and air, a normal diffusion flame (NDF and an inverse diffusion flame (IDF have been investigated. The fuel and air supply in the reaction zone in two flame types were kept constant but the interchange of relative position of fuel and air altered the burner exit Reynolds and Froude numbers of gases, fuel/air velocity ratio and flame shape. Soot samples were collected using thermophoretic sampling on transmission electron microscope (TEM grids at different flame heights and were analyzed off-line in a Transmission Electron Microscope. Soot primary particle size, soot aggregate size and soot volume fraction were measured using an image analysis software. In NDF the maximum flame temperature was about 1525 K and 1230 K for IDF. The soot primary particles are distinctly smaller in size in IDF (between 19 – 26 nm compared to NDF (between 29–34 nm. Both NDF and IDF show chainlike branched structure of soot agglomerate with soot particles of a nearly spherical shape. The average number of soot primary particles per aggregate in NDF was in the range of 24 to 40 and in IDF it varied between 16 to 24. Soot volume fraction was between 0.6 to 1.5 ppm in NDF where as it was less than 0.2 ppm in IDF. The change in sooting characteristics of the two flame types is attributed to changed fuel/air velocity ratio, entrainment of gas molecules and thermophoresis on soot particles.

  3. Anomalous Hall effect

    Science.gov (United States)

    Nagaosa, Naoto; Sinova, Jairo; Onoda, Shigeki; MacDonald, A. H.; Ong, N. P.

    2010-04-01

    The anomalous Hall effect (AHE) occurs in solids with broken time-reversal symmetry, typically in a ferromagnetic phase, as a consequence of spin-orbit coupling. Experimental and theoretical studies of the AHE are reviewed, focusing on recent developments that have provided a more complete framework for understanding this subtle phenomenon and have, in many instances, replaced controversy by clarity. Synergy between experimental and theoretical works, both playing a crucial role, has been at the heart of these advances. On the theoretical front, the adoption of the Berry-phase concepts has established a link between the AHE and the topological nature of the Hall currents. On the experimental front, new experimental studies of the AHE in transition metals, transition-metal oxides, spinels, pyrochlores, and metallic dilute magnetic semiconductors have established systematic trends. These two developments, in concert with first-principles electronic structure calculations, strongly favor the dominance of an intrinsic Berry-phase-related AHE mechanism in metallic ferromagnets with moderate conductivity. The intrinsic AHE can be expressed in terms of the Berry-phase curvatures and it is therefore an intrinsic quantum-mechanical property of a perfect crystal. An extrinsic mechanism, skew scattering from disorder, tends to dominate the AHE in highly conductive ferromagnets. The full modern semiclassical treatment of the AHE is reviewed which incorporates an anomalous contribution to wave-packet group velocity due to momentum-space Berry curvatures and correctly combines the roles of intrinsic and extrinsic (skew-scattering and side-jump) scattering-related mechanisms. In addition, more rigorous quantum-mechanical treatments based on the Kubo and Keldysh formalisms are reviewed, taking into account multiband effects, and demonstrate the equivalence of all three linear response theories in the metallic regime. Building on results from recent experiment and theory, a

  4. Stochastic partial differential fluid equations as a diffusive limit of deterministic Lagrangian multi-time dynamics.

    Science.gov (United States)

    Cotter, C J; Gottwald, G A; Holm, D D

    2017-09-01

    In Holm (Holm 2015 Proc. R. Soc. A 471 , 20140963. (doi:10.1098/rspa.2014.0963)), stochastic fluid equations were derived by employing a variational principle with an assumed stochastic Lagrangian particle dynamics. Here we show that the same stochastic Lagrangian dynamics naturally arises in a multi-scale decomposition of the deterministic Lagrangian flow map into a slow large-scale mean and a rapidly fluctuating small-scale map. We employ homogenization theory to derive effective slow stochastic particle dynamics for the resolved mean part, thereby obtaining stochastic fluid partial equations in the Eulerian formulation. To justify the application of rigorous homogenization theory, we assume mildly chaotic fast small-scale dynamics, as well as a centring condition. The latter requires that the mean of the fluctuating deviations is small, when pulled back to the mean flow.

  5. From gas dynamics with large friction to gradient flows describing diffusion theories

    KAUST Repository

    Lattanzio, Corrado

    2016-12-09

    We study the emergence of gradient flows in Wasserstein distance as high friction limits of an abstract Euler flow generated by an energy functional. We develop a relative energy calculation that connects the Euler flow to the gradient flow in the diffusive limit regime. We apply this approach to prove convergence from the Euler-Poisson system with friction to the Keller-Segel system in the regime that the latter has smooth solutions. The same methodology is used to establish convergence from the Euler-Korteweg theory with monotone pressure laws to the Cahn-Hilliard equation.

  6. A DYNAMIC DENSITY FUNCTIONAL THEORY APPROACH TO DIFFUSION IN WHITE DWARFS AND NEUTRON STAR ENVELOPES

    Energy Technology Data Exchange (ETDEWEB)

    Diaw, A.; Murillo, M. S. [New Mexico Consortium, Los Alamos, NM 87544 (United States)

    2016-09-20

    We develop a multicomponent hydrodynamic model based on moments of the Born–Bogolyubov–Green–Kirkwood–Yvon hierarchy equations for physical conditions relevant to astrophysical plasmas. These equations incorporate strong correlations through a density functional theory closure, while transport enters through a relaxation approximation. This approach enables the introduction of Coulomb coupling correction terms into the standard Burgers equations. The diffusive currents for these strongly coupled plasmas is self-consistently derived. The settling of impurities and its impact on cooling can be greatly affected by strong Coulomb coupling, which we show can be quantified using the direct correlation function.

  7. Dynamical phase transitions in the current distribution of driven diffusive channels

    Science.gov (United States)

    Baek, Yongjoo; Kafri, Yariv; Lecomte, Vivien

    2018-03-01

    We study singularities in the large deviation function of the time-averaged current of diffusive systems connected to two reservoirs. A set of conditions for the occurrence of phase transitions, both first and second order, are obtained by deriving Landau theories. First-order transitions occur in the absence of a particle-hole symmetry, while second-order occur in its presence and are associated with a symmetry breaking. The analysis is done in two distinct statistical ensembles, shedding light on previous results. In addition, we also provide an exact solution of a model exhibiting a second-order symmetry-breaking transition.

  8. Ballistic and diffusive dynamics in a two-dimensional ideal gas of macroscopic chaotic Faraday waves.

    Science.gov (United States)

    Welch, Kyle J; Hastings-Hauss, Isaac; Parthasarathy, Raghuveer; Corwin, Eric I

    2014-04-01

    We have constructed a macroscopic driven system of chaotic Faraday waves whose statistical mechanics, we find, are surprisingly simple, mimicking those of a thermal gas. We use real-time tracking of a single floating probe, energy equipartition, and the Stokes-Einstein relation to define and measure a pseudotemperature and diffusion constant and then self-consistently determine a coefficient of viscous friction for a test particle in this pseudothermal gas. Because of its simplicity, this system can serve as a model for direct experimental investigation of nonequilibrium statistical mechanics, much as the ideal gas epitomizes equilibrium statistical mechanics.

  9. 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.

  10. Dynamic Contrast Enhanced Magnetic Resonance Imaging of Diffuse Spinal Bone Marrow Infiltration in Patients with Hematological Malignancies

    Energy Technology Data Exchange (ETDEWEB)

    Zha, Yunfei; Li, Maojin [Renmin Hospital of Wuhan University, Wuhan (China); Yang, Jianyong [the First Affiliated Hospital, Sun Yat-Sen University, Guangzhou (China)

    2010-04-15

    To investigate the significance of the dynamic contrast enhanced magnetic resonance imaging (DCE-MRI) parameters of diffuse spinal bone marrow infiltration in patients with hematological malignancies. Dynamic gadolinium-enhanced MR imaging of the lumbar spine was performed in 26 patients with histologically proven diffuse bone marrow infiltration, including multiple myeloma (n = 6), acute lymphoblastic leukemia (n = 6), acute myeloid leukemia (n = 5), chronic myeloid leukemia (n = 7), and non-Hodgkin lymphoma (n = 2). Twenty subjects whose spinal MRI was normal, made up the control group. Peak enhancement percentage (E{sub max}), enhancement slope (ES), and time to peak (TTP) were determined from a time intensity curve (TIC) of lumbar vertebral bone marrow. A comparison between baseline and follow-up MR images and its histological correlation were evaluated in 10 patients. The infiltration grade of hematopoietic marrow with plasma cells was evaluated by a histological assessment of bone marrow. Differences in E{sub max}, ES, and TTP values between the control group and the patients with diffuse bone marrow infiltration were significant (t = -11.51, -9.81 and 3.91, respectively, p < 0.01). E{sub max}, ES, and TTP values were significantly different between bone marrow infiltration groups Grade 1 and Grade 2 (Z = -2.72, -2.24 and -2.89 respectively, p < 0.05). E{sub max}, ES and TTP values were not significantly different between bone marrow infiltration groups Grade 2 and Grade 3 (Z = -1.57, -1.82 and -1.58 respectively, p > 0.05). A positive correlation was found between E{sub max}, ES values and the histological grade of bone marrow infiltration (r = 0.86 and 0.84 respectively, p < 0.01). A negative correlation was found between the TTP values and bone marrow infiltration histological grade (r = -0.54, p < 0.01). A decrease in the E{sub max} and ES values was observed with increased TTP values after treatment in all of the 10 patients who responded to treatment (t

  11. 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

  12. 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.

  13. Mechanical and microstructure study of the butt-weld joints between 18-10 stainless steel and hafnium, formed by dynamic diffusion-bonding

    International Nuclear Information System (INIS)

    Devers, T.; Bienvenu, Y.; Portier, R.

    1998-01-01

    Assembling stainless steel and hafnium arises increased technological interest. However, the high melting temperatures of these two materials and the absence of eutectic formation at low temperature make dynamic diffusion - welding in the solid state an interesting solution to the problem. This study shows that a maximal resistance to tension of 285 MPa is obtained for a duration of 1 min at 950 deg C. The diffusion zone is studied by scanning microscopy and X-ray microanalysis. (authors)

  14. Mapping Anomalous Currents in Supersymmetric Dualities

    CERN Document Server

    Abel, Steven; Komargodski, Zohar

    2011-01-01

    In many strongly-coupled systems, the infrared dynamics is described by different degrees of freedom from the ultraviolet. It is then natural to ask how operators written in terms of the microscopic variables are mapped to operators composed of the macroscopic ones. Certain types of operators, like conserved currents, are simple to map, and in supersymmetric theories one can also follow the chiral ring. In this note, we consider supersymmetric theories and extend the mapping to anomalous currents (and gaugino bilinears). Our technique is completely independent of subtleties associated with the renormalization group, thereby shedding new light on previous approaches to the problem. We demonstrate the UV/IR mapping in several examples with different types of dynamics, emphasizing the uniformity and simplicity of the approach. Natural applications of these ideas include the effects of soft breaking on the dynamics of various theories and new models of electroweak symmetry breaking.

  15. Diffusion dynamics and steady states of systems of hard rods on a square lattice

    Science.gov (United States)

    Patra, Saugata; Das, Dibyendu; Rajesh, R.; Mitra, Mithun K.

    2018-02-01

    It is known from grand canonical simulations of a system of hard rods on two-dimensional lattices that an orientationally ordered nematic phase exists only when the length of the rods is at least seven. However, a recent microcanonical simulation with diffusion kinetics, conserving both total density and zero nematic order, reported the existence of a nematically phase-segregated steady state with interfaces in the diagonal direction for rods of length six [Phys. Rev. E 95, 052130 (2017), 10.1103/PhysRevE.95.052130], violating the equivalence of different ensembles for systems in equilibrium. We resolve this inconsistency by demonstrating that the kinetics violate detailed balance condition and drives the system to a nonequilibrium steady state. By implementing diffusion kinetics that drive the system to equilibrium, even within this constrained ensemble, we recover earlier results showing phase segregation only for rods of length greater than or equal to seven. Furthermore, in contrast to the nonequilibrium steady state, the interface has no preferred orientational direction. In addition, by implementing different nonequilibrium kinetics, we show that the interface between the phase segregated states can lie in different directions depending on the choice of kinetics.

  16. Dynamic studies of small animals with a four-color diffuse optical tomography imager

    International Nuclear Information System (INIS)

    Schmitz, Christoph H.; Graber, Harry L.; Pei Yaling; Farber, Mark; Stewart, Mark; Levina, Rita D.; Levin, Mikhail B.; Xu Yong; Barbour, Randall L.

    2005-01-01

    We present newly developed instrumentation for full-tomographic four-wavelength, continuous wave, diffuse optical tomography (DOT) imaging on small animals. A small-animal imaging stage was constructed, from materials compatible with in-magnet studies, which offers stereotaxic fixation of the animal and precise, stable probe positioning. Instrument performance, based on calibration and phantom studies, demonstrates excellent long-term signal stability. DOT measurements of the functional rat brain response to electric paw stimulation are presented, and these demonstrate high data quality and excellent sensitivity to hemodynamic changes. A general linear model analysis on individual trials is used to localize and quantify the occurrence of functional behavior associated with the different hemoglobin state responses. Statistical evaluation of outcomes of individual trials is employed to identify significant regional response variations for different stimulation sites. Image results reveal a diffuse cortical response and a strong reaction of the thalamus, both indicative of activation of pain pathways by the stimulation. In addition, a weaker lateralized functional component is observed in the brain response, suggesting presence of motor activation. An important outcome of the experiment is that it shows that reactions to individual provocations can be monitored, without having to resort to signal averaging. Thus the described technology may be useful for studies of long-term trends in hemodynamic response, as would occur, for example, in behavioral studies involving freely moving animals

  17. A Comprehensive Fluid Dynamic-Diffusion Model of Blood Microcirculation with Focus on Sickle Cell Disease

    Science.gov (United States)

    Le Floch, Francois; Harris, Wesley L.

    2009-11-01

    A novel methodology has been developed to address sickle cell disease, based on highly descriptive mathematical models for blood flow in the capillaries. Our investigations focus on the coupling between oxygen delivery and red blood cell dynamics, which is crucial to understanding sickle cell crises and is unique to this blood disease. The main part of our work is an extensive study of blood dynamics through simulations of red cells deforming within the capillary vessels, and relies on the use of a large mathematical system of equations describing oxygen transfer, blood plasma dynamics and red cell membrane mechanics. This model is expected to lead to the development of new research strategies for sickle cell disease. Our simulation model could be used not only to assess current researched remedies, but also to spur innovative research initiatives, based on our study of the physical properties coupled in sickle cell disease.

  18. Vibrational relaxation dynamics of SD molecules in As{sub 2}S{sub 3}: Observation of an anomalous isotope effect

    Energy Technology Data Exchange (ETDEWEB)

    Engholm, J.R.; Happek, U. [Univ. of Georgia, Athens, GA (United States); Rella, C.W. [Stanford Univ., CA (United States)] [and others

    1995-12-31

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

  19. 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.

  20. 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 ...

  1. A nonlinear problem for age-structured population dynamics with spatial diffusion

    OpenAIRE

    Nakoulima, Ousseynou; Omrane, Abdennebi; Velin, Jean

    2001-01-01

    We consider a nonlinear model for age-dependent population dynamics subject to a density dependent factor which regulates the selection of newborn at age zero. The initial-boundary value problem is studied using a vanishing viscosity method (in the age direction) together with the fixed point theory. Existence and uniqueness are obtained, and also the positivity of the solution to the problem.

  2. Effects of absorption on coherence domain path length resolved dynamic light scattering in the diffuse regime

    NARCIS (Netherlands)

    Petoukhova, A. L.; Steenbergen, W.; van Leeuwen, T. G.; de Mul, F. F. M.

    2002-01-01

    A low coherence Mach-Zehnder interferometer is developed for path length resolved dynamic light scattering in highly turbid media. The path length distribution of multiply scattered photons in Intralipid is changed by the addition of absorbing dyes. Path length distributions obtained for various

  3. Effects of absorption on coherence domain path length resolved dynamic light scattering in the diffuse regime

    NARCIS (Netherlands)

    Petoukhova, Anna; Steenbergen, Wiendelt; van Leeuwen, Ton; de Mul, F.F.M.

    2002-01-01

    A low coherence Mach–Zehnder interferometer is developed for path length resolved dynamic light scattering in highly turbid media. The path length distribution of multiply scatteredphotons in Intralipid is changed by the addition of absorbing dyes. Path length distributions obtained for various

  4. Dynamics and profiles of a diffusive host-pathogen system with distinct dispersal rates

    Science.gov (United States)

    Wu, Yixiang; Zou, Xingfu

    2018-04-01

    In this paper, we investigate a diffusive host-pathogen model with heterogeneous parameters and distinct dispersal rates for the susceptible and infected hosts. We first prove that the solution of the model exists globally and the model system possesses a global attractor. We then identify the basic reproduction number R0 for the model and prove its threshold role: if R0 ≤ 1, the disease free equilibrium is globally asymptotically stable; if R0 > 1, the solution of the model is uniformly persistent and there exists a positive (pathogen persistent) steady state. Finally, we study the asymptotic profiles of the positive steady state as the dispersal rate of the susceptible or infected hosts approaches zero. Our result suggests that the infected hosts concentrate at certain points which can be characterized as the pathogen's most favoured sites when the mobility of the infected host is limited.

  5. Cluster geometry and survival probability in systems driven by reaction-diffusion dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Windus, Alastair; Jensen, Henrik J [The Institute for Mathematical Sciences, 53 Prince' s Gate, South Kensington, London SW7 2PG (United Kingdom)], E-mail: h.jensen@imperial.ac.uk

    2008-11-15

    We consider a reaction-diffusion model incorporating the reactions A{yields}{phi}, A{yields}2A and 2A{yields}3A. Depending on the relative rates for sexual and asexual reproduction of the quantity A, the model exhibits either a continuous or first-order absorbing phase transition to an extinct state. A tricritical point separates the two phase lines. While we comment on this critical behaviour, the main focus of the paper is on the geometry of the population clusters that form. We observe the different cluster structures that arise at criticality for the three different types of critical behaviour and show that there exists a linear relationship for the survival probability against initial cluster size at the tricritical point only.

  6. Dynamics of prostate cancer stem cells with diffusion and organism response.

    Science.gov (United States)

    Quinn, Terrance; Sinkala, Zachariah

    2009-04-01

    We develop a systems based model for prostate cancer, as a sub-system of the organism. We accomplish this in two stages. We first start with a general ODE that includes organism response terms. Then, to account for normally observed spatial diffusion of cell populations, the ODE is extended to a PDE that includes spatial terms. Numerical solutions of the full PDE are provided, and are indicative of traveling wave fronts. This motivates the use of a well known transformation to derive a canonically related (non-linear) system of ODEs for traveling wave solutions. For biological feasibility, we show that the non-negative cone for the traveling wave system is time invariant. We also prove that the traveling waves have a unique global attractor. Biologically, the global attractor would be the limit for the avascular tumor growth. We conclude with comments on clinical implications of the model.

  7. 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.

  8. Lymphoma and inflammation in the orbit: Diagnostic performance with diffusion-weighted imaging and dynamic contrast-enhanced MRI.

    Science.gov (United States)

    Sun, Bo; Song, Liyuan; Wang, Xinyan; Li, Jing; Xian, Junfang; Wang, Feifei; Tan, Pan

    2017-05-01

    To investigate the diagnostic performance of diffusion-weighted imaging (DWI), dynamic contrast-enhanced (DCE) magnetic resonance imaging (MRI), and the combination of both in the differential diagnosis of lymphoma and inflammation in the orbit. This retrospective study was approved by the Institutional Review Board and the informed consent requirement was waived. A total of 53 patients underwent preoperative 3T MRI. Parameters of DWI and DCE MRI were evaluated in these 30 patients with orbital lymphoma and 23 patients with orbital inflammation. The diagnostic performance was evaluated using receiver operating characteristic curve analysis. Apparent diffusion coefficient (ADC) values and parameters derived from DCE MRI of orbital lymphoma and orbital inflammation differed significantly (ADC, T max , contrast index [CI], enhancement ratio [ER], and washout ratio [WR]: P inflammation (P = 0.016 for reviewer 1; P = 0.001 for reviewer 2). The combination of DWI and DCE MRI can improve diagnostic performance in differentiating lymphoma from inflammation in the orbit compared with DWI alone. 3 J. MAGN. RESON. IMAGING 2017;45:1438-1445. © 2016 International Society for Magnetic Resonance in Medicine.

  9. Evaluation of conventional, dynamic contrast enhanced and diffusion weighted MRI for quantitative Crohn's disease assessment with histopathology of surgical specimens

    International Nuclear Information System (INIS)

    Tielbeek, Jeroen A.W.; Ziech, Manon L.W.; Lavini, Cristina; Bipat, Shandra; Stoker, Jaap; Li, Zhang; Bemelman, Willem A.; Roelofs, Joris J.T.H.; Ponsioen, Cyriel Y.; Vos, Frans M.

    2014-01-01

    To prospectively compare conventional MRI sequences, dynamic contrast enhanced (DCE) MRI and diffusion weighted imaging (DWI) with histopathology of surgical specimens in Crohn's disease. 3-T MR enterography was performed in consecutive Crohn's disease patients scheduled for surgery within 4 weeks. One to four sections of interest per patient were chosen for analysis. Evaluated parameters included mural thickness, T1 ratio, T2 ratio; on DCE-MRI maximum enhancement (ME), initial slope of increase (ISI), time-to-peak (TTP); and on DWI apparent diffusion coefficient (ADC). These were compared with location-matched histopathological grading of inflammation (AIS) and fibrosis (FS) using Spearman correlation, Kruskal-Wallis and Chi-squared tests. Twenty patients (mean age 38 years, 12 female) were included and 50 sections (35 terminal ileum, 11 ascending colon, 2 transverse colon, 2 descending colon) were matched to AIS and FS. Mural thickness, T1 ratio, T2 ratio, ME and ISI correlated significantly with AIS, with moderate correlation (r = 0.634, 0.392, 0.485, 0.509, 0.525, respectively; all P < 0.05). Mural thickness, T1 ratio, T2 ratio, ME, ISI and ADC correlated significantly with FS (all P < 0.05). Quantitative parameters from conventional, DCE-MRI and DWI sequences correlate with histopathological scores of surgical specimens. DCE-MRI and DWI parameters provide additional information. (orig.)

  10. Whole-body MRI, dynamic contrast-enhanced MRI, and diffusion-weighted imaging for the staging of multiple myeloma

    Energy Technology Data Exchange (ETDEWEB)

    Dutoit, Julie C.; Verstraete, Koenraad L. [Ghent University Hospital, Department of Radiology, Ghent (Belgium)

    2017-06-15

    Magnetic resonance imaging (MRI) is the most sensitive imaging technique for the detection of bone marrow infiltration, and has therefore recently been included in the new diagnostic myeloma criteria, as proposed by the International Myeloma Working Group. Nevertheless, conventional MRI only provides anatomical information and is therefore only of limited use in the response assessment of patients with multiple myeloma. The additional information from functional MRI techniques, such as diffusion-weighted imaging and dynamic contrast-enhanced MRI, can improve the detection rate of bone marrow infiltration and the assessment of response. This can further enhance the sensitivity and specificity of MRI in the staging of multiple myeloma patients. This article provides an overview of the technical aspects of conventional and functional MRI techniques with practical recommendations. It reviews the diagnostic performance, prognostic value, and role in therapy assessment in multiple myeloma and its precursor stages. (orig.)

  11. 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.)

  12. Effect of anomalous drift during ion implantation

    International Nuclear Information System (INIS)

    Aleksandrov, P.A.; Baranova, E.K.; Beloshitskii, V.V.; Demakov, K.D.; Starostin, V.A.

    1986-01-01

    Experimental and theoretical results are presented on Tl-ion implantation into hot silicon substrates (approx. 1200 0 C). a An anomalously large (by more than an order of magnitude) displacement of the peak position of the implanted impurity distribution into the bulk of the substrate is found. b) The conclusion is drawn that the basic process responsible for this displacement of the peak is radiation-enhanced diffusion (RED) due to nonequilibrium concentration of point defects produced in the heated target directly under implantation. c) The crystalline structure of the resulting ion-implanted layer indicates that in-situ annealing of the exposed layer occurs during high-temperature implantation. d) Experimental impurity distributions confirm the possibility of producing an implanted-impurity 'buried layer' below the layer of a single crystal silicon, the 'buried layer' depth depending on the implantation regime. (author)

  13. Assessing the anomalous superdiffusive heat transport in a single one-dimensional PEDOT chain

    Science.gov (United States)

    Crnjar, Alessandro; Melis, Claudio; Colombo, Luciano

    2018-01-01

    We present a computational investigation on heat transport in a single polymer chain of poly-3,4-ethylenedioxythiophene (PEDOT). By applying equilibrium and nonequilibrium molecular dynamics simulations to evaluate the thermal conductivity, as well as by investigating how the polymer chain approaches equilibrium upon a local thermal excitation, we provide a robust picture assessing the anomalous superdiffusive (i.e., intermediate between ballistic and diffusive) character of its thermal transport. This assessment is provided by the present simulations showing that three scaling laws with unlike physical meaning and characterizing the thermal energy transport in one-dimensional systems indeed occur in the very same polymer chain with consistent critical exponents. In order to disentangle the effect of dimensionality, we perform a systematic comparison of transport features for a single one-dimensional (1D) PEDOT chain and a three-dimensional (3D) PEDOT crystal. Present simulations suggest that by increasing the dimensionality, the anomalous regime is completely removed as due to the occurrence of strong interchains anharmonic interactions. Finally, we prove that thermal transport in isolated single PEDOT chains belongs to a novel universality class of superdiffusion characterized by a critical exponent β =1 /2 .

  14. Modeling of the blood flow in the lower extremities for dynamic diffuse optical tomography of peripheral artery disease

    Science.gov (United States)

    Marone, A.; Hoi, J. W.; Khalil, M. A.; Kim, H. K.; Shrikhande, G.; Dayal, R.; Hielscher, A. H.

    2015-07-01

    Peripheral Arterial Disease (PAD) is caused by a reduction of the internal diameters of the arteries in the upper or lower extremities mainly due to atherosclerosis. If not treated, its worsening may led to a complete occlusion, causing the death of the cells lacking proper blood supply, followed by gangrene that may require chirurgical amputation. We have recently performed a clinical study in which good sensitivities and specificities were achieved with dynamic diffuse optical tomography. To gain a better understanding of the physiological foundations of many of the observed effects, we started to develop a mathematical model for PAD. The model presented in this work is based on a multi-compartment Windkessel model, where the vasculature in the leg and foot is represented by resistors and capacitors, the blood pressure with a voltage drop, and the blood flow with a current. Unlike existing models, the dynamics induced by a thigh-pressure-cuff inflation and deflation during the measurements are taken into consideration. This is achieved by dynamically varying the resistances of the large veins and arteries. By including the effects of the thigh-pressure cuff, we were able to explain many of the effects observed during our dynamic DOT measurements, including the hemodynamics of oxy- and deoxy-hemoglobin concentration changes. The model was implemented in MATLAB and the simulations were normalized and compared with the blood perfusion obtained from healthy, PAD and diabetic patients. Our preliminary results show that in unhealthy patients the total system resistance is sensibly higher than in healthy patients.

  15. Thermal Diffusion in Binary Mixtures: Transient Behavior and Transport Coefficients from Equilibrium and Nonequilibrium Molecular Dynamics.

    Science.gov (United States)

    Bonella, Sara; Ferrario, Mauro; Ciccotti, Giovanni

    2017-10-24

    Equilibrium and nonequilibrium molecular dynamics simulations are combined to compute the full set of coefficients that appear in the phenomenological equations describing thermal transport in a binary mixture subject to a constant thermal gradient. The Dynamical Non-Equilibrium Molecular Dynamics approach (D-NEMD) is employed to obtain the microscopic time evolution of the density and temperature fields, together with that of the mass and energy fluxes. D-NEMD enables one to study not only the steady state, but also the evolution of the fields during the transient that follows the onset of the thermal gradient, up to the establishment of the steady state. This makes it possible to ensure that the system has indeed reached a stationary condition, and to analyze the transient mechanisms and time scales of the mass and energy transport. A local time averaging procedure is applied to each trajectory contributing to the calculation to improve the signal-to-noise ratio in the estimation of the fluxes and to obtain a clear signal with the, relatively limited, statistics available.

  16. Combined diffusion-weighted and dynamic contrast-enhanced imaging of patients with acute osteoporotic vertebral fractures

    Energy Technology Data Exchange (ETDEWEB)

    Biffar, Andreas [Josef Lissner Laboratory for Biomedical Imaging, Department of Clinical Radiology - Grosshadern, LMU Ludwig Maximilian University of Munich, Munich (Germany); Sourbron, Steven [Josef Lissner Laboratory for Biomedical Imaging, Department of Clinical Radiology - Grosshadern, LMU Ludwig Maximilian University of Munich, Munich (Germany); Division of Medical Physics, University of Leeds, Leeds (United Kingdom); Dietrich, Olaf [Josef Lissner Laboratory for Biomedical Imaging, Department of Clinical Radiology - Grosshadern, LMU Ludwig Maximilian University of Munich, Munich (Germany); Schmidt, Gerwin [Department of Clinical Radiology - Grosshadern, LMU Ludwig Maximilian University of Munich, Marchioninistr. 15, 81377 Munich (Germany); Ingrisch, Michael [Josef Lissner Laboratory for Biomedical Imaging, Department of Clinical Radiology - Grosshadern, LMU Ludwig Maximilian University of Munich, Munich (Germany); Reiser, Maximilian F. [Josef Lissner Laboratory for Biomedical Imaging, Department of Clinical Radiology - Grosshadern, LMU Ludwig Maximilian University of Munich, Munich (Germany); Department of Clinical Radiology - Grosshadern, LMU Ludwig Maximilian University of Munich, Marchioninistr. 15, 81377 Munich (Germany); Baur-Melnyk, Andrea, E-mail: andrea.baur@med.uni-muenchen.de [Department of Clinical Radiology - Grosshadern, LMU Ludwig Maximilian University of Munich, Marchioninistr. 15, 81377 Munich (Germany)

    2010-12-15

    Objectives: To evaluate the potential and to analyze parameter correlations of combined quantitative diffusion-weighted MRI (DWI) and high-temporal-resolution dynamic contrast-enhanced MRI (DCE-MRI) in vertebral bone marrow (vBM) of patients with osteoporosis and acute vertebral compression fractures, providing additional information for a better understanding of the physiological background of parameter changes. Materials and methods: 20 patients with acute osteoporotic fractures were examined with DWI and DCE-MRI at 1.5 T. DCE-MRI was performed with a 2D saturation-recovery turbo-FLASH sequence, acquiring 300 dynamics with a temporal resolution of 1 s. For DWI measurements, a DW HASTE sequence with b-values from 100 to 600 s/mm{sup 2} was applied. In each patient, ROIs were drawn manually in the fractures and in normal appearing vertebrae. For DCE-MRI, the concentration-time curves of these ROIs were analyzed using a two-compartment tracer-kinetic model in the lesions, providing separate estimates of perfusion and permeability, and a one-compartment model in normal vBM, providing only a mixed representation of perfusion and permeability in terms of a mixed flow parameter K{sup trans} and the extracellular volume (ECV). In the case of DWI, attenuation curves were fitted to a monoexponential decay model to determine the apparent diffusion coefficient (ADC). Results: Mean perfusion parameters and ADCs were significantly (p < 0.001) different in the fractures compared to adjacent normal appearing vertebrae (K{sup trans}: 7.81 mL/100 mL/min vs. 14.61 mL/100 mL/min, ECV: 52.84 mL/100 mL vs. 4.61 mL/100 mL, ADC: 1.71 x 10{sup -3} mm{sup 2}/s vs. 0.57 x 10{sup -3} mm{sup 2}/s). ADCs showed a significant correlation with the ECV. Conclusion: The quantitative analysis of DWI and DCE-MRI could distinguish osteoporotic fractures from normal appearing vertebrae. A significant correlation found between ECV and ADCs might be able to explain the cause for the increased

  17. Combined diffusion-weighted and dynamic contrast-enhanced imaging of patients with acute osteoporotic vertebral fractures

    International Nuclear Information System (INIS)

    Biffar, Andreas; Sourbron, Steven; Dietrich, Olaf; Schmidt, Gerwin; Ingrisch, Michael; Reiser, Maximilian F.; Baur-Melnyk, Andrea

    2010-01-01

    Objectives: To evaluate the potential and to analyze parameter correlations of combined quantitative diffusion-weighted MRI (DWI) and high-temporal-resolution dynamic contrast-enhanced MRI (DCE-MRI) in vertebral bone marrow (vBM) of patients with osteoporosis and acute vertebral compression fractures, providing additional information for a better understanding of the physiological background of parameter changes. Materials and methods: 20 patients with acute osteoporotic fractures were examined with DWI and DCE-MRI at 1.5 T. DCE-MRI was performed with a 2D saturation-recovery turbo-FLASH sequence, acquiring 300 dynamics with a temporal resolution of 1 s. For DWI measurements, a DW HASTE sequence with b-values from 100 to 600 s/mm 2 was applied. In each patient, ROIs were drawn manually in the fractures and in normal appearing vertebrae. For DCE-MRI, the concentration-time curves of these ROIs were analyzed using a two-compartment tracer-kinetic model in the lesions, providing separate estimates of perfusion and permeability, and a one-compartment model in normal vBM, providing only a mixed representation of perfusion and permeability in terms of a mixed flow parameter K trans and the extracellular volume (ECV). In the case of DWI, attenuation curves were fitted to a monoexponential decay model to determine the apparent diffusion coefficient (ADC). Results: Mean perfusion parameters and ADCs were significantly (p trans : 7.81 mL/100 mL/min vs. 14.61 mL/100 mL/min, ECV: 52.84 mL/100 mL vs. 4.61 mL/100 mL, ADC: 1.71 x 10 -3 mm 2 /s vs. 0.57 x 10 -3 mm 2 /s). ADCs showed a significant correlation with the ECV. Conclusion: The quantitative analysis of DWI and DCE-MRI could distinguish osteoporotic fractures from normal appearing vertebrae. A significant correlation found between ECV and ADCs might be able to explain the cause for the increased diffusivity in osteoporotic fractures. Since the other perfusion parameters do not correlate with the ADC, they provide

  18. Variable charge molecular dynamics studies of oxygen diffusion processes in nickel leading to the formation of internal oxide nano-clusters

    International Nuclear Information System (INIS)

    Garruchet, S.; Politano, O.; Vignal, V.; Arnoux, P.

    2009-01-01

    Full text of publication follows: New materials are under development for numerous applications in 4. generation reactor (Supercritical water reactor for example) and will have to operate at high temperature and in corrosive environments. Nickel and nickel based alloys are one of the most important candidate because of their good mechanical properties on a wide variety of severe environments (corrosive, irradiative, high temperatures,...). In this work, we simulated a model system of nickel to study the diffusivity of atomic oxygen and the formation of internal oxide nano-clusters by variable charge molecular dynamics techniques. Oxidation of nickel surfaces proceeds by cationic diffusion. In that sense, the governing parameter is the diffusion of Nickel in the oxide scale. However, it is also experimentally observed that some oxygen atoms are trapped within the metal. At high temperature, those atoms can diffuse and form internal oxide clusters in nano-voids within the metallic bulk. To characterize such processes, many experimental approaches have determined the O diffusion coefficient in Ni. However recent experimental studies expressed doubts about these values as the role played by impurities and/or vacancies during the diffusion processes was not addressed. Recently, some authors showed that O couldn't diffuse in Ni in absence of defects. As a consequence, new O diffusion coefficient has to be determined and correlated to the defects concentration in the system. To our knowledge, only a few numbers of theoretical investigations are dedicated to this topic. In particular all the numerical studies were performed by using the density functional theory (DFT)]. These approaches permitted to calculate migration energy and diffusion path at 0 K. However, a complete study of O diffusion at high temperature is still missing. This last leads us to develop variable charge molecular dynamics (MD) simulations on the diffusion of atomic O in Ni in the range 950 K to 1600 K

  19. Dynamic characterization of partially saturated engineered porous media and gas diffusion layers using hydraulic admittance

    Science.gov (United States)

    Cheung, Perry; Fairweather, Joseph D.; Schwartz, Daniel T.

    2012-09-01

    Simple laboratory methods for determining liquid water distribution in polymer electrolyte membrane fuel cell gas diffusion layers (GDLs) are needed to engineer better GDL materials. Capillary pressure vs. liquid saturation measurements are attractive, but lack the ability to probe the hydraulic interconnectivity and distribution within the pore structure. Hydraulic admittance measurements of simple capillary bundles have recently been shown to nicely measure characteristics of the free-interfaces and hydraulic path. Here we examine the use of hydraulic admittance with a succession of increasingly complex porous media, starting with a laser-drilled sample with 154 asymmetric pores and progress to the behavior of Toray TGP-H090 carbon papers. The asymmetric laser-drilled sample clearly shows hydraulic admittance measurements are sensitive to sample orientation, especially when examined as a function of saturation state. Finite element modeling of the hydraulic admittance is consistent with experimental measurements. The hydraulic admittance spectra from GDL samples are complex, so we examine trends in the spectra as a function of wet proofing (0% and 40% Teflon loadings) as well as saturation state of the GDL. The presence of clear peaks in the admittance spectra for both GDL samples suggests a few pore types are largely responsible for transporting liquid water.

  20. Three-dimensional doubly diffusive convectons: instability and transition to complex dynamics

    Science.gov (United States)

    Knobloch, Edgar; Beaume, Cedric; Bergeon, Alain

    2017-11-01

    Doubly diffusive convection in a closed vertically extended 3D container driven by competing horizontal temperature and concentration gradients is studied. No-slip boundary conditions are imposed. The buoyancy number N = - 1 to ensure the presence of a conduction state. The primary instability is subcritical and generates two families of spatially localised steady states known as convectons. The convectons bifurcate directly from the conduction state and are organized in a pair of primary branches that snake within a well-defined range of Rayleigh numbers as the convectons grow in length. Secondary instabilities generating twist result in secondary snaking branches of twisted convectons. These destabilize the primary convectons and are responsible for the absence of stable steady states, localized or otherwise, in the subcritical regime. As a result, once the Rayleigh number for the primary instability of the conduction state is exceeded, the system exhibits an abrupt transition to large amplitude spatio-temporal chaos that arises whenever the twist instability leading to collapse is faster than the nucleation time for new rolls. These numerical results are confirmed by determining the stability properties of all convecton states as well as spatially extended convection. Supported in part by the National Science Foundation under Grant DMS-1613132.

  1. Imaging of vascular dynamics within the foot using dynamic diffuse optical tomography to diagnose peripheral arterial disease

    Science.gov (United States)

    Khalil, M. A.; Kim, H. K.; Hoi, J. W.; Kim, I.; Dayal, R.; Shrikande, G.; Hielscher, A. H.

    2013-03-01

    Peripheral Arterial Disease (PAD) is the narrowing of the functional area of the artery generally due to atherosclerosis. It affects between 8-12 million people in the United States and if untreated this can lead to ulceration, gangrene and ultimately amputation. The current diagnostic method for PAD is the ankle-brachial index (ABI). The ABI is a ratio of the patient's systolic blood pressure in the foot to that of the brachial artery in the arm, a ratio below 0.9 is indicative of affected vasculature. However, this method is ineffective in patients with calcified arteries (diabetic and end-stage renal failure patients), which falsely elevates the ABI recording resulting in a false negative reading. In this paper we present our results in a pilot study to deduce optical tomography's ability to detect poor blood perfusion in the foot. We performed an IRB approved 30 patient study, where we imaged the feet of the enrolled patients during a five stage dynamic imaging sequence. The patients were split up into three groups: 10 healthy subjects, 10 PAD patients and 10 PAD patients with diabetes and they were imaged while applying a pressure cuff to their thigh. Differences in the magnitude of blood pooling in the foot and rate at which the blood pools in the foot are all indicative of arterial disease.

  2. Molecular dynamics study of grain boundary diffusion of hydrogen in tungsten

    International Nuclear Information System (INIS)

    Von Toussaint, U; Gori, S; Manhard, A; Höschen, T; Höschen, C

    2011-01-01

    Understanding the influence of the microstructure of tungsten on hydrogen transport is crucial for the use of tungsten as first-wall material in fusion reactors. Here, we report the results of molecular dynamics and transition state studies on the influence of grain boundaries in tungsten on the transport of hydrogen. An exhaustive mapping of possible minimum activation energy migration trajectories for hydrogen as the trace impurity reveals a strongly modified activation energy distribution in the neighborhood of grain boundaries together with an altered connectivity matrix. The results indicate that grain boundaries in polycrystalline tungsten may provide an important transport channel, especially for neutron-damaged tungsten.

  3. Anomalous X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    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 discussion of 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 L3 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.

  4. 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

  5. Dynamic properties of water in swollen hypercrosslinked polystyrenes, according to NMR relaxation and diffusion data

    Science.gov (United States)

    Babushkina, T. A.; Novikov, V. V.; Koretskaya, V. S.; Klimova, T. P.; Tsyurupa, M. P.; Blinnikova, Z. K.; Davankov, V. A.

    2015-08-01

    Dynamic properties of the water filling of the internal space of hypercrosslinked polystyrene networks are studied via NMR cryoporometry, spin relaxation, and diffusometry. It is found that in the temperature range of 210-240 K, where frozen water melts in the thin pores of the polymer and seems to become a viscous liquid, the main type of molecular motion is rotational and the main relaxation mechanism ( T 1) is spin-rotational interaction between protons. Above 240 K, dipole-dipole coupling is shown to become the main relaxation mechanism T 1. In the temperature range of 210-295 K, the hypercrosslinked polystyrene matrix displays a set of water spin-spin relaxation rates that suggest the structure has cavities (pores) with different sizes and different conditions for the molecular motion of water. We conclude that the shorter (tens of ms) relaxation times T 1 and T 2 of water in the polymer at the temperature above 265 K compared to free water (2-3 s) indicate features of the dynamic characteristics of water in hydrophobic pores (or thin films on the surfaces of granules) that differ from those of free water. The tortuosity coefficients of the water's path of molecular motion are found to change in a symbate manner with a change in the water content in the hypercrosslinked network.

  6. DYNAMIC S0 GALAXIES. II. THE ROLE OF DIFFUSE HOT GAS

    International Nuclear Information System (INIS)

    Li Jiangtao; Chen Yang; Daniel Wang, Q.; Li Zhiyuan

    2011-01-01

    Cold gas loss is thought to be important in star formation quenching and morphological transition during the evolution of S0 galaxies. In high-density environments, this gas loss can be achieved via many external mechanisms. However, in relatively isolated environments, where these external mechanisms cannot be efficient, the gas loss must then be dominated by some internal processes. We have performed Chandra analysis of hot gas in five nearby isolated S0 galaxies, based on the quantitative subtraction of various stellar contributions. We find that all the galaxies studied in the present work are X-ray faint, with the luminosity of the hot gas (L X ) typically accounting for ∼ X at the low-mass end (typically with K-band luminosity L K ∼ 11 L sun,K ). However, at the high-mass end, S0 galaxies tend to have significantly lower L X than elliptical galaxies of the same stellar masses, as already shown in previous observational and theoretical works. We further discuss the potential relationship of the diffuse X-ray emission with the cold (atomic and molecular) gas content in the S0 and elliptical galaxies included in our study. We find that L X /L 2 K tends to correlate positively with the total cold gas mass (M H 2 +H i ) for cold-gas-poor galaxies with M H 2 +H i ∼ 8 M sun , while they anti-correlate with each other for cold-gas-rich galaxies. This cold-hot gas relationship can be explained in a scenario of early-type galaxy evolution, with the leftover cold gas from the precursor star-forming galaxy mainly removed by the long-lasting Type Ia supernova (SN) feedback. The two different trends for cold-gas-rich and cold-gas-poor galaxies may be the results of the initial fast decreasing SN rate and the later fast decreasing mass loading to hot gas, respectively.

  7. Anomalous couplings at LEP2

    International Nuclear Information System (INIS)

    Fayolle, D.

    2002-01-01

    In its second phase, LEP has allowed to study four fermion processes never observed before. Results are presented on the charged triple gauge boson couplings (TGC) from the W-pair, Single W and Single γ production. The anomalous quartic gauge couplings (QGC) are constrained using production of WWγ, νν-barγγ and Z γγ final states. Finally, limits on the neutral anomalous gauge couplings (NGC) using the Z γ and ZZ production processes are also reported. All results are consistent with the Standard Model expectations. (authors)

  8. Hepatocellular carcinoma on MR diffusion weighted imaging and dynamic contrast-enhanced imaging

    International Nuclear Information System (INIS)

    Dong Aisheng; Zuo Changjing; Tian Jianming; Lu Jianping; Wang Jian; Wang Li; Wang Fei

    2009-01-01

    Objective: To evaluate the findings of hepatocellular carcinoma (HCC) on DWI and dynamic Gd-DTPA-enhanced MR imaging. Methods: Eighty one patients with chronic hepatitis or liver cirrhosis underwent both DWI and dynamic Gd-DTPA-enhanced MRI studies of the liver for HCC detection. MR data of were retrospectively analyzed. Two observers determined in consensus the location and the number of focal lesions. The signal manifestation of the lesions on DWI and dynamic Gd-DTPA-enhanced MR imaging were analyzed. Results: DWI and Gd-DTPA-enhanced MR images detected 122 HCCs and 14 benign lesions. One hundred and sixteen HCCs (95.1%) showed hyperintensity on DWI and 6 HCCs in patients with severe cirrhosis showed isointensity. One hundred and five HCCs (86.1%) revealed hypointensity, 11 HCCs (9.0%) showed isointensity and 6 HCCs (4.9%) exhibited hyperintensity on T 1 weighted images. On Gd-DTPA-enhanced MR images, 101 HCCs(82.8%) were significantly enhanced on arterial phase and 99 HCCs showed hypointensity on portal and equilibrium phases. Twenty HCCs (16.4%), 18 of 20 less than 20 mm in diameter, showed isointensity on arterial phase and hyperintensity on DWI. Eight of 14 benign lesions showed hyperintensity and 6 isointensity on DWI. Five benign lesions with hypointensity on T 1 weighted images without contrast and hyperintensity on DWI showed no enhancement on Gd-DTPA-enhanced MR images; 6 benign lesions with isointensity on both T 1 weighted imaging without contrast and DWI exhibited avid enhancement on arterial phase and isointensty on portal and equilibrium phases; one of the two benign lesions, with isointensity before and after contrast images and hyperintentiy on DWI, was a regenerative nodule; another regenerative nodule with hyperintensity on both T 1 weighted images without contrast and DWI was greatly enhanced on arterial phase and showed isointensity on portal and equilibrium phases. Conclusions: Most of the HCCs were greatly enhanced on arterial phase on Gd

  9. Determination of dynamic metal complexes and their diffusion coefficients in the presence of different humic substances by combining two analytical techniques.

    Digital Repository Service at National Institute of Oceanography (India)

    Chakraborty, P.; Manek, A; Niyogi, S.; Hudson, J.

    The combined use of a competing ligand exchange (CLE) method and a diffusive gradient in thin films (DGT) technique in a quasi-labile system provides a better understanding of dynamic metal (Cu and Ni) complexes in the presence of humic substances...

  10. 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)

  11. Dynamics and heat diffusion of Abrikosov's vortex-antivortex pairs during an annihilation process.

    Science.gov (United States)

    Duarte, E C S; Sardella, E; Ortiz, W A; Zadorosny, R

    2017-10-11

    The manipulation and control of vortex states in superconducting systems are of great interest in view of possible applications, for which mesoscopic materials are good candidates. In this work, we studied the annihilation dynamics and the dissipative aspects of an Abrikosov's vortex-antivortex pair in a mesoscopic superconducting system with a concentric hole. The generalized time-dependent Ginzburg-Landau equations were numerically solved. The main result is the appearance of a phase slip-like line due to the elongation of the vortex and antivortex cores. Under specific circumstances, thermal dissipation might be associated with a sizeable relaxation of the order parameter, so that the energy released in the annihilation of a vortex-antivortex pair might become detectable in measurements of the magnetization as a function of time.

  12. Prediction of methylguanine methyltransferase promoter methylation in glioblastoma using dynamic contrast-enhanced magnetic resonance and diffusion tensor imaging.

    Science.gov (United States)

    Ahn, Sung Soo; Shin, Na-Young; Chang, Jong Hee; Kim, Se Hoon; Kim, Eui Hyun; Kim, Dong Wook; Lee, Seung-Koo

    2014-08-01

    The methylation status of the methylguanine methyltransferase (MGMT) promoter has been associated with treatment response in glioblastoma. The authors aimed to assess whether MGMT methylation status can be predicted by dynamic contrast-enhanced (DCE) MRI and diffusion tensor imaging (DTI). This retrospective study included 43 patients with pathologically diagnosed glioblastoma who had undergone preoperative DCE-MRI and DTI and whose MGMT methylation status was available. The imaging features were qualitatively assessed using conventional MR images. Regions of interest analyses for DCE-MRI permeability parameters (transfer constant [Ktrans], rate transfer coefficient [Kep], and volume fraction of extravascular extracellular space [Ve]) and DTI parameters (apparent diffusion coefficient [ADC] and fractional anisotropy [FA]) were performed on the enhancing solid portion of the glioblastoma. Chi-square or Mann-Whitney tests were used to evaluate relationships between MGMT methylation and imaging parameters. The authors performed receiver operating characteristic curve analysis to find the optimal cutoff value for the presence of MGMT methylation. MGMT methylation was not significantly associated with any imaging features on conventional MR images. Ktrans values were significantly higher in the MGMT methylated group (median 0.091 vs 0.053 min(-1), p = 0.018). However, Kep, Ve, ADC, and FA were not significantly different between the 2 groups. The optimal cutoff value for the presence of MGMT methylation was Ktrans > 0.086 min(-1) with an area under the curve of 0.756, a sensitivity of 56.3%, and a specificity of 85.2%. Ktrans may serve as a potential imaging biomarker to predict MGMT methylation status preoperatively in glioblastoma; however, further investigation with a larger cohort is necessary.

  13. Diagnosis of breast masses from dynamic contrast-enhanced and diffusion-weighted MR: a machine learning approach.

    Directory of Open Access Journals (Sweden)

    Hongmin Cai

    Full Text Available PURPOSE: Dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI is increasingly used for breast cancer diagnosis as supplementary to conventional imaging techniques. Combining of diffusion-weighted imaging (DWI of morphology and kinetic features from DCE-MRI to improve the discrimination power of malignant from benign breast masses is rarely reported. MATERIALS AND METHODS: The study comprised of 234 female patients with 85 benign and 149 malignant lesions. Four distinct groups of features, coupling with pathological tests, were estimated to comprehensively characterize the pictorial properties of each lesion, which was obtained by a semi-automated segmentation method. Classical machine learning scheme including feature subset selection and various classification schemes were employed to build prognostic model, which served as a foundation for evaluating the combined effects of the multi-sided features for predicting of the types of lesions. Various measurements including cross validation and receiver operating characteristics were used to quantify the diagnostic performances of each feature as well as their combination. RESULTS: Seven features were all found to be statistically different between the malignant and the benign groups and their combination has achieved the highest classification accuracy. The seven features include one pathological variable of age, one morphological variable of slope, three texture features of entropy, inverse difference and information correlation, one kinetic feature of SER and one DWI feature of apparent diffusion coefficient (ADC. Together with the selected diagnostic features, various classical classification schemes were used to test their discrimination power through cross validation scheme. The averaged measurements of sensitivity, specificity, AUC and accuracy are 0.85, 0.89, 90.9% and 0.93, respectively. CONCLUSION: Multi-sided variables which characterize the morphological, kinetic, pathological

  14. Diagnosis of breast masses from dynamic contrast-enhanced and diffusion-weighted MR: a machine learning approach.

    Science.gov (United States)

    Cai, Hongmin; Peng, Yanxia; Ou, Caiwen; Chen, Minsheng; Li, Li

    2014-01-01

    Dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) is increasingly used for breast cancer diagnosis as supplementary to conventional imaging techniques. Combining of diffusion-weighted imaging (DWI) of morphology and kinetic features from DCE-MRI to improve the discrimination power of malignant from benign breast masses is rarely reported. The study comprised of 234 female patients with 85 benign and 149 malignant lesions. Four distinct groups of features, coupling with pathological tests, were estimated to comprehensively characterize the pictorial properties of each lesion, which was obtained by a semi-automated segmentation method. Classical machine learning scheme including feature subset selection and various classification schemes were employed to build prognostic model, which served as a foundation for evaluating the combined effects of the multi-sided features for predicting of the types of lesions. Various measurements including cross validation and receiver operating characteristics were used to quantify the diagnostic performances of each feature as well as their combination. Seven features were all found to be statistically different between the malignant and the benign groups and their combination has achieved the highest classification accuracy. The seven features include one pathological variable of age, one morphological variable of slope, three texture features of entropy, inverse difference and information correlation, one kinetic feature of SER and one DWI feature of apparent diffusion coefficient (ADC). Together with the selected diagnostic features, various classical classification schemes were used to test their discrimination power through cross validation scheme. The averaged measurements of sensitivity, specificity, AUC and accuracy are 0.85, 0.89, 90.9% and 0.93, respectively. Multi-sided variables which characterize the morphological, kinetic, pathological properties and DWI measurement of ADC can dramatically improve the

  15. First principles molecular dynamics of molten NaI: Structure, self-diffusion, polarization effects, and charge transfer

    Science.gov (United States)

    Galamba, N.; Costa Cabral, B. J.

    2007-09-01

    The structure and self-diffusion of NaI and NaCl at temperatures close to their melting points are studied by first principles Hellmann-Feynman molecular dynamics (HFMD). The results are compared with classical MD using rigid-ion (RI) and shell-model (ShM) interionic potentials. HFMD for NaCl was reported before at a higher temperature [N. Galamba and B. J. Costa Cabral, J. Chem. Phys. 126, 124502 (2007)]. The main differences between the structures predicted by HFMD and RI MD for NaI concern the cation-cation and the anion-cation pair correlation functions. A ShM which allows only for the polarization of I- reproduces the main features of the HFMD structure of NaI. The inclusion of polarization effects for both ionic species leads to a more structured ionic liquid, although a good agreement with HFMD is also observed. HFMD Green-Kubo self-diffusion coefficients are larger than those obtained from RI and ShM simulations. A qualitative study of charge transfer in molten NaI and NaCl was also carried out with the Hirshfeld charge partitioning method. Charge transfer in molten NaI is comparable to that in NaCl, and results for NaCl at two temperatures support the view that the magnitude of charge transfer is weakly state dependent for ionic systems. Finally, Hirshfeld charge distributions indicate that differences between RI and HFMD results are mainly related to polarization effects, while the influence of charge transfer fluctuations is minimal for these systems.

  16. Dynamics of diffusive bubble growth and pressure recovery in a bubbly rhyolitic melt embedded in an elastic solid

    Science.gov (United States)

    Chouet, Bernard A.; Dawson, Phillip B.; Nakano, Masaru

    2006-01-01

    We present a model of gas exsolution and bubble expansion in a melt supersaturated in response to a sudden pressure drop. In our model, the melt contains a suspension of gas bubbles of identical sizes and is encased in a penny-shaped crack embedded in an elastic solid. The suspension is modeled as a three-dimensional lattice of spherical cells with slight overlap, where each elementary cell consists of a gas bubble surrounded by a shell of volatile-rich melt. The melt is then subjected to a step drop in pressure, which induces gas exsolution and bubble expansion, resulting in the compression of the melt and volumetric expansion of the crack. The dynamics of diffusion-driven bubble growth and volumetric crack expansion span 9 decades in time. The model demonstrates that the speed of the crack response depends strongly on volatile diffusivity in the melt and bubble number density and is markedly sensitive to the ratio of crack thickness to crack radius and initial bubble radius but is relatively insensitive to melt viscosity. The net drop in gas concentration in the melt after pressure recovery represents only a small fraction of the initial concentration prior to the drop, suggesting the melt may undergo numerous pressure transients before becoming significantly depleted of gases. The magnitude of pressure and volume recovery in the crack depends sensitively on the size of the input-pressure transient, becoming relatively larger for smaller-size transients in a melt containing bubbles with initial radii less than 10-5 m. Amplification of the input transient may be large enough to disrupt the crack wall and induce brittle failure in the rock matrix surrounding the crack. Our results provide additional basis for the interpretation of volume changes in the magma conduit under Popocatépetl Volcano during Vulcanian degassing bursts in its eruptive activity in April–May 2000.

  17. Dynamic contrast-enhanced MR imaging of the water fraction of normal bone marrow and diffuse bone marrow disease

    Energy Technology Data Exchange (ETDEWEB)

    Katsuya, Tomoo; Inoue, Tomio; Ishizaka, Hiroshi; Aoki, Jun; Endo, Keigo [Gunma Univ., Maebashi (Japan). School of Medicine

    2000-10-01

    To clarify the contrast-enhancement pattern of the normal hematopoietic element by isolating the signal of the water fraction in vertebral bone marrow and to investigate whether this approach can be used to characterize bone marrow pathology in several diffuse bone marrow diseases. Two groups were examined: 30 normal healthy volunteers and 19 patients with primary diffuse bone marrow disease (aplastic anemia [n=8], myelodysplastic syndrome (MDS) [n=5], chronic myelogenic leukemia (CML) [n=4], polycythemia vera [n=2]). Isolation of the signal of hematopoietic tissue was done by the chemical-shift misregistration effect. Twenty consecutive T1-weighted midsagittal lumber vertebral images were obtained immediately after the intravenous administration of Gd-DTPA of 0.1 mmol/kg body weight, and the pattern of the time-intensity curve, the peak contrast-enhancement (CE) ratio, and the washout rate (%/min) of bone marrow in normal volunteers were compared with those in patients suffering from primary diffuse bone marrow disease. The pattern of the time-intensity curve of patients with aplastic anemia showed a low peak value followed by a slow washout. However, the pattern of time-intensity curves in patients with MDS, CML, and polycythemia vera was similar to that of normal volunteers. The peak CE ratio of the water fraction in normal marrow ranged from 0.45 to 1.26 (mean {+-}S.D.: 0.87{+-}0.18). Patients with aplastic anemia showed an abnormally lower peak CE ratio of the water fraction (mean {+-}S.D.: 0.34{+-}0.19, p<0.0001). On the other hand, the peak CE ratio of the water fraction in patients with MDS was significantly higher than that of normal volunteers (mean {+-}S.D. 1.35{+-}0.39, p<0.05). In contrast, the peak CE ratio of patients with CML or polycythemia vera did not differ significantly from that of normal volunteers. The mean washout rate of patients with aplastic anemia was significantly lower than that of normal volunteers (mean {+-}S.D.: 3.50{+-}2.51 %/min

  18. A Computational Procedure for Assessing the Dynamic Performance of Diffusion-Controlled Transdermal Delivery Devices

    Directory of Open Access Journals (Sweden)

    Laurent Simon

    2011-08-01

    Full Text Available Abstract: The dynamic performances of two different controlled-release systems were analyzed. In a reservoir-type drug-delivery patch, the transdermal flux is influenced by the properties of the membrane. A constant thermodynamic drug activity is preserved in the donor compartment. Monolithic matrices are among the most inexpensive systems used to direct drug delivery. In these structures, the active pharmaceutical ingredients are encapsulated within a polymeric material. Despite the popularity of these two devices, to tailor the properties of the polymer and additives to specific transient behaviors can be challenging and time-consuming. The heuristic approaches often considered to select the vehicle formulation provide limited insight into key permeation mechanisms making it difficult to predict the device performance. In this contribution, a method to calculate the flux response time in a system consisting of a reservoir and a polymeric membrane was proposed and confirmed. Nearly 8.60 h passed before the metoprolol delivery rate reached ninety-eight percent of its final value. An expression was derived for the time it took to transport the active pharmaceutical ingredient out of the polymer. Ninety-eight percent of alpha-tocopherol acetate was released in 461.4 h following application to the skin. The effective time constant can be computed to help develop optimum design strategies.

  19. 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.

  20. Molecular dynamics study on water self-diffusion in aqueous mixtures of methanol, ethylene glycol and glycerol: investigations from the point of view of hydrogen bonding

    Science.gov (United States)

    Zhang, Ning; Li, Weizhong; Chen, Cong; Zuo, Jianguo; Weng, Lindong

    2013-04-01

    Molecular dynamics simulations have been performed to investigate the aqueous binary mixtures of alcohols, including methanol, ethylene glycol (EG) and glycerol of molalities ranging from 1 to 5 m at the temperatures of 273, 288 and 298 K, respectively. The primary purpose of this paper is to investigate the mechanism of water self-diffusion in water-alcohol mixtures from the point of view of hydrogen bonding. The effects of temperature and concentration on water self-diffusion coefficient are evaluated quantitatively in this work. Temperature and concentration to some extent affect the hydrogen bonding statistics and dynamics of the binary mixtures. It is shown that the self-diffusion coefficient of water molecules decreases as the concentration increases or the temperature decreases. Moreover, calculations of mean square displacements of water molecules initially with different number n of H-bonds indicate that the water self-diffusion coefficient decreases as n increases. We also studied the aggregation of alcohol molecules by the hydrophobic alkyl groups. The largest cluster size of the alkyl groups clearly increases as the concentration increases, implying the emergence of a closely connected network of water and alcohols. The clusters of water and alcohol that interacted could block the movement of water molecules in binary mixtures. These findings provide insight into the mechanisms of water self-diffusion in aqueous binary mixtures of methanol, EG and glycerol.

  1. Molecular dynamics simulation to assess the effect of temperature on diffusion coefficients of different ions and water molecules in C-S-H

    Science.gov (United States)

    Zehtab, B.; Tarighat, A.

    2017-10-01

    Diffusion is a particle transportation process beginning from one point of a system to another through random molecular motion. This process depends on various parameters like temperature, concentration gradient, and particle size. The objective of this article is to assess the variation of diffusion coefficients of water molecules, chloride and sodium ions against different temperatures in calcium silicate hydrates (C-S-H) through molecular dynamics simulation. A uniform sodium chloride solution is modeled between cement hydrate layers with no concentration gradient. In such a solution, temperature could affect diffusion process in a significant manner. The two most important crystalline mineral analogues of C-S-H, tobermorite and jennite, are applied in this simulation. Diffusion coefficients of different ions and water molecules are found in different temperatures. It is revealed that diffusion coefficient is higher at high temperatures. Activation energies of chloride and sodium ions transport in cement hydrates are calculated through Arrhenius law. Output values of diffusion coefficients and activation energies are compared to previous experimental and simulation results in the related literature. A multi-scale analysis is run to estimate the penetration depth of Cl- ions in cement paste through Fick's second law.

  2. The role of dynamic contrast-enhanced and diffusion weighted magnetic resonance imaging in the female pelvis

    Energy Technology Data Exchange (ETDEWEB)

    Sala, Evis, E-mail: es220@radiol.cam.ac.uk [University Department of Radiology, Box 218, Level 5, Addenbrooke' s Hospital, Hills Road, Cambridge CB2 0QQ (United Kingdom); Rockall, Andrea, E-mail: Andrea.Rockall@bartsandthelondon.nhs.uk [Department of Radiology, St Bartholomew' s Hospital, West Smithfield, London EC1A 7ED (United Kingdom); Rangarajan, Deepa, E-mail: rdrangarajan@googlemail.com [Department of Radiology, Box 218, Addenbrooke' s Hospital, Hills Road, Cambridge CB2 0QQ (United Kingdom); Kubik-Huch, Rahel A., E-mail: rahel.kubik@ksb.ch [Institute of Radiology, Department of Medical Services, Kantonsspital Baden Im Ergel, CH-5404 Baden (Switzerland)

    2010-12-15

    Functional imaging by means of dynamic multiphase contrast-enhanced magnetic resonance imaging (DCE-MRI) and diffusion weighted magnetic resonance imaging (DW-MRI) is now part of the standard imaging protocols for evaluation of the female pelvis. DCE-MRI and DW-MRI are important MR imaging techniques which enable the radiologist to move from morphological to functional assessment of diseases of the female pelvis. This is mainly due to the limitations of morphologic imaging, particularly in lesion characterization, accurate lymph node staging, assessment of tumour response and inability to differentiate post-treatment changes from tumour recurrence. DCE-MRI improves the accuracy of T2WI in staging of endometrial cancer. It also helps differentiate tumour recurrence from radiation fibrosis in patients with cervical cancer. DCE-MRI improves characterization of cystic adnexal lesions and detection of small peritoneal implants in patients with ovarian cancer. DW-MRI is valuable in preoperative staging of patients with endometrial and cervical cancer, especially in detection of extra-uterine disease. It does increase reader's confidence for detection of recurrent disease in gynaecological malignancies and improves detection of small peritoneal implants in patients with ovarian cancer. In this review article we give an overview of both DCE-MRI and DW-MRI techniques, concentrating on their main clinical application in the female pelvis, and present a practical approach of the added value of these techniques according to the main pathological conditions, highlighting the pearls and pitfalls of each technique.

  3. Ultrafast Excited-State Dynamics of Diketopyrrolopyrrole (DPP)-Based Materials: Static versus Diffusion-Controlled Electron Transfer Process

    KAUST Repository

    Alsulami, Qana

    2015-06-25

    Singlet-to-triplet intersystem crossing (ISC) and photoinduced electron transfer (PET) of platinum(II) containing diketopyrrolopyrrole (DPP) oligomer in the absence and presence of strong electron-acceptor tetracyanoethylene (TCNE) were investigated using femtosecond and nanosecond transient absorption spectroscopy with broadband capabilities. The role of platinum(II) incorporation in those photophysical properties was evaluated by comparing the excited-state dynamics of DPP with and without the metal centers. The steady-state measurements reveal that platinum(II) incorporation facilitates dramatically the interactions between DPP-Pt(acac) and TCNE, resulting in charge transfer (CT) complex formation. The transient absorption spectra in the absence of TCNE reveal ultrafast ISC of DPP-Pt(acac) followed by their long-lived triplet state. In the presence of TCNE, PET from the excited DPP-Pt(acac) and DPP to TCNE, forming the radical ion pairs. The ultrafast PET which occurs statically from DPP-Pt(acac) to TCNE in picosecond regime, is much faster than that from DPP to TCNE (nanosecond time scale) which is diffusion-controlled process, providing clear evidence that PET rate is eventually controlled by the platinum(II) incorporation.

  4. On auroral dynamics observed by HF radar: 1. Equatorward edge of the afternoon-evening diffuse luminosity belt

    Directory of Open Access Journals (Sweden)

    M. Uspensky

    2000-12-01

    Full Text Available Observations and modelling are presented which illustrate the ability of the Finland CUTLASS HF radar to monitor the afternoon-evening equatorward auroral boundary during weak geomagnetic activity. The subsequent substorm growth phase development was also observed in the late evening sector as a natural continuation of the preceding auroral oval dynamics. Over an 8 h period the CUTLASS Finland radar observed a narrow (in range and persistent region of auroral F- and (later E-layer echoes which gradually moved equatorward, consistent with the auroral oval diurnal rotation. This echo region corresponds to the subvisual equatorward edge of the diffuse luminosity belt (SEEL and the ionospheric footprint of the inner boundary of the electron plasma sheet. The capability of the Finland CUTLASS radar to monitor the E-layer SEEL-echoes is a consequence of the nearly zero E-layer rectilinear aspect angles in a region 5–10° poleward of the radar site. The F-layer echoes are probably the boundary blob echoes. The UHF EISCAT radar was in operation and observed a similar subvisual auroral arc and an F-layer electron density enhancement when it appeared in its antenna beam.Key words: Ionsophere (ionospheric irregularities · Magnetospheric physics (auroral phenomena; magnetosphere–ionosphere interactions

  5. Molecular Dynamics-based Simulations of Bulk/Interfacial Structures and Diffusion Behaviors in Nuclear Waste Glasses

    Energy Technology Data Exchange (ETDEWEB)

    Du, Jincheng

    2018-03-16

    This NEUP Project aimed to generate accurate atomic structural models of nuclear waste glasses by using large-scale molecular dynamics-based computer simulations and to use these models to investigate self-diffusion behaviors, interfacial structures, and hydrated gel structures formed during dissolution of these glasses. The goal was to obtain realistic and accurate short and medium range structures of these complex oxide glasses, to provide a mechanistic understanding of the dissolution behaviors, and to generate reliable information with predictive power in designing nuclear waste glasses for long-term geological storage. Looking back of the research accomplishments of this project, most of the scientific goals initially proposed have been achieved through intensive research in the three and a half year period of the project. This project has also generated a wealth of scientific data and vibrant discussions with various groups through collaborations within and outside of this project. Throughout the project one book chapter and 14 peer reviewed journal publications have been generated (including one under review) and 16 presentations (including 8 invited talks) have been made to disseminate the results of this project in national and international conference. Furthermore, this project has trained several outstanding graduate students and young researchers for future workforce in nuclear related field, especially on nuclear waste immobilization. One postdoc and four PhD students have been fully or partially supported through the project with intensive training in the field material science and engineering with expertise on glass science and nuclear waste disposal

  6. Coverage dependent desorption dynamics of deuterium on Si(100) surfaces: interpretation with a diffusion-promoted desorption model.

    Science.gov (United States)

    Matsuno, T; Niida, T; Tsurumaki, H; Namiki, A

    2005-01-08

    We studied coverage dependence of time-of-flight (TOF) spectra of D2 molecules thermally desorbed from the D/Si(100) surface. The mean translational energies Et of desorbed D2 molecules were found to increase from 0.20+/-0.05 eV to 0.40+/-0.04 eV as the desorption coverage window was decreased from 1.0 ML> or =thetaD> or =0.9 ML to 0.2 ML> or =thetaD> or =0 ML, being consistent with the kinetics switch predicted in the interdimer mechanism. The measured TOF spectra were deconvoluted into 2H, 3H, and 4H components by a curve fitting method along the principle of detailed balance. As a result, it turned out that the desorption kinetics changes from the 4H to the 3H situation at high coverage above thetaD=0.9 ML, while the 2H desorption is dominant for a quite wide coverage region up to thetaD=0.8 ML. A dynamic desorption mechanism by which the desorption is promoted by D-atom diffusion to dangling bonds was proposed. 2005 American Institute of Physics.

  7. Clonal evolution in relapsed and refractory diffuse large B-cell lymphoma is characterized by high dynamics of subclones

    Science.gov (United States)

    Weinstock, David M.; Kopp, Nadja; Neureiter, Daniel; Tränkenschuh, Wolfgang; Hackl, Hubert; Weiss, Lukas; Rinnerthaler, Gabriel; Hartmann, Tanja N.; Greil, Richard; Weigert, Oliver; Egle, Alexander

    2016-01-01

    Little information is available about the role of certain mutations for clonal evolution and the clinical outcome during relapse in diffuse large B-cell lymphoma (DLBCL). Therefore, we analyzed formalin-fixed-paraffin-embedded tumor samples from first diagnosis, relapsed or refractory disease from 28 patients using next-generation sequencing of the exons of 104 coding genes. Non-synonymous mutations were present in 74 of the 104 genes tested. Primary tumor samples showed a median of 8 non-synonymous mutations (range: 0-24) with the used gene set. Lower numbers of non-synonymous mutations in the primary tumor were associated with a better median OS compared with higher numbers (28 versus 15 months, p=0.031). We observed three patterns of clonal evolution during relapse of disease: large global change, subclonal selection and no or minimal change possibly suggesting preprogrammed resistance. We conclude that targeted re-sequencing is a feasible and informative approach to characterize the molecular pattern of relapse and it creates novel insights into the role of dynamics of individual genes. PMID:27285986

  8. On auroral dynamics observed by HF radar: 1. Equatorward edge of the afternoon-evening diffuse luminosity belt

    Directory of Open Access Journals (Sweden)

    M. Uspensky

    Full Text Available Observations and modelling are presented which illustrate the ability of the Finland CUTLASS HF radar to monitor the afternoon-evening equatorward auroral boundary during weak geomagnetic activity. The subsequent substorm growth phase development was also observed in the late evening sector as a natural continuation of the preceding auroral oval dynamics. Over an 8 h period the CUTLASS Finland radar observed a narrow (in range and persistent region of auroral F- and (later E-layer echoes which gradually moved equatorward, consistent with the auroral oval diurnal rotation. This echo region corresponds to the subvisual equatorward edge of the diffuse luminosity belt (SEEL and the ionospheric footprint of the inner boundary of the electron plasma sheet. The capability of the Finland CUTLASS radar to monitor the E-layer SEEL-echoes is a consequence of the nearly zero E-layer rectilinear aspect angles in a region 5–10° poleward of the radar site. The F-layer echoes are probably the boundary blob echoes. The UHF EISCAT radar was in operation and observed a similar subvisual auroral arc and an F-layer electron density enhancement when it appeared in its antenna beam.

    Key words: Ionsophere (ionospheric irregularities · Magnetospheric physics (auroral phenomena; magnetosphere–ionosphere interactions

  9. Diffusion within the Cytoplasm: A Mesoscale Model of Interacting Macromolecules

    Science.gov (United States)

    Trovato, Fabio; Tozzini, Valentina

    2014-01-01

    Recent experiments carried out in the dense cytoplasm of living cells have highlighted the importance of proteome composition and nonspecific intermolecular interactions in regulating macromolecule diffusion and organization. Despite this, the dependence of diffusion-interaction on physicochemical properties such as the degree of poly-dispersity and the balance between steric repulsion and nonspecific attraction among macromolecules was not systematically addressed. In this work, we study the problem of diffusion-interaction in the bacterial cytoplasm, combining theory and experimental data to build a minimal coarse-grained representation of the cytoplasm, which also includes, for the first time to our knowledge, the nucleoid. With stochastic molecular-dynamics simulations of a virtual cytoplasm we are able to track the single biomolecule motion, sizing from 3 to 80 nm, on submillisecond-long trajectories. We demonstrate that the size dependence of diffusion coefficients, anomalous exponents, and the effective viscosity experienced by biomolecules in the cytoplasm is fine-tuned by the intermolecular interactions. Accounting only for excluded volume in these potentials gives a weaker size-dependence than that expected from experimental data. On the contrary, adding nonspecific attraction in the range of 1–10 thermal energy units produces a stronger variation of the transport properties at growing biopolymer sizes. Normal and anomalous diffusive regimes emerge straightforwardly from the combination of high macromolecular concentration, poly-dispersity, stochasticity, and weak nonspecific interactions. As a result, small biopolymers experience a viscous cytoplasm, while the motion of big ones is jammed because the entanglements produced by the network of interactions and the entropic effects caused by poly-dispersity are stronger. PMID:25468337

  10. Improving malignancy prediction in breast lesions with the combination of apparent diffusion coefficient and dynamic contrast-enhanced kinetic descriptors

    International Nuclear Information System (INIS)

    Nogueira, Luisa; Brandão, Sofia; Matos, Eduarda; Gouveia Nunes, Rita; Ferreira, Hugo Alexandre; Loureiro, Joana; Ramos, Isabel

    2015-01-01

    Aim: To assess how the joint use of apparent diffusion coefficient (ADC) and kinetic parameters (uptake phase and delayed enhancement characteristics) from dynamic contrast-enhanced (DCE) can boost the ability to predict breast lesion malignancy. Materials and methods: Breast magnetic resonance examinations including DCE and diffusion-weighted imaging (DWI) were performed on 51 women. The association between kinetic parameters and ADC were evaluated and compared between lesion types. Models with binary outcome of malignancy were studied using generalized estimating equations (GEE), (GEE), and using kinetic parameters and ADC values as malignancy predictors. Model accuracy was assessed using the corrected maximum quasi-likelihood under the independence confidence criterion (QICC). Predicted probability of malignancy was estimated for the best model. Results: ADC values were significantly associated with kinetic parameters: medium and rapid uptake phase (p<0.001) and plateau and washout curve types (p=0.004). Comparison between lesion type showed significant differences for ADC (p=0.001), early phase (p<0.001), and curve type (p<0.001). The predicted probabilities of malignancy for the first ADC quartile (≤1.17×10 −3  mm 2 /s) and persistent, plateau and washout curves, were 54.6%, 86.9%, and 97.8%, respectively, and for the third ADC quartile (≥1.51×10 −3  mm 2 /s) were 3.2%, 15.5%, and 54.8%, respectively. The predicted probability of malignancy was less than 5% for 18.8% of the lesions and greater than 33% for 50.7% of the lesions (24/35 lesions, corresponding to a malignancy rate of 68.6%). Conclusion: The best malignancy predictors were low ADCs and washout curves. ADC and kinetic parameters provide differentiated information on the microenvironment of the lesion, with joint models displaying improved predictive performance. -- Highlights: •ADC and kinetic parameters provide diverse information regarding lesion environment. •The best predictors

  11. Magnetic effects in anomalous dispersion

    International Nuclear Information System (INIS)

    Blume, M.

    1992-01-01

    Spectacular enhancements of magnetic x-ray scattering have been predicted and observed experimentally. These effects are the result of resonant phenomena closely related to anomalous dispersion, and they are strongest at near-edge resonances. The theory of these resonances will be developed with particular attention to the symmetry properties of the scatterer. While the phenomena to be discussed concern magnetic properties the transitions are electric dipole or electric quadrupole in character and represent a subset of the usual anomalous dispersion phenomena. The polarization dependence of the scattering is also considered, and the polarization dependence for magnetic effects is related to that for charge scattering and to Templeton type anisotropic polarization phenomena. It has been found that the strongest effects occur in rare-earths and in actinides for M shell edges. In addition to the scattering properties the theory is applicable to ''forward scattering'' properties such as the Faraday effect and circular dichroism

  12. 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.

  13. Colligative properties of anomalous water.

    Science.gov (United States)

    Everett, D H; Haynes, J M; McElroy, P J

    1970-06-13

    Investigations of the phase behaviour on freezing and subsequent melting and of other properties indicate that anomalous water is a solution containing a fixed amount of relatively involatile material in normal water. There seems to be no need to postulate the existence of a new polymer of water in such solutions. If only water and silica are present, the properties are consistent with those of a silicic acid gel.

  14. Universality of anomalous diffusion in extremely disordered systems

    DEFF Research Database (Denmark)

    Dyre, Jeppe; Jacobsen, Jacob M.

    1996-01-01

    The universal time-dependence of the mean-square displacement for motion in a random energy landscape with equal minima is evaluated analytically and numerically in the percolation path approximation (PPA), which was recently shown by extensive computer simulations in two and three dimensions [Dy...

  15. Oscillatory variation of anomalous diffusion in pendulum systems

    Indian Academy of Sciences (India)

    driven and parametrically-driven pendulum systems are presented. When the frequency of the periodic driving force is varied, the exponent μ, which is the rate of divergence of the mean square displacement with time, is found to vary in an ...

  16. Oscillatory variation of anomalous diffusion in pendulum systems

    Indian Academy of Sciences (India)

    ... exponent , which is the rate of divergence of the mean square displacement with time, is found to vary in an oscillatory manner. We show the presence of such a variation in other statistical measures such as variance of position, kurtosis, and exponents in the power-exponential law of probability distribution of position.

  17. Comparison of NMR and Dynamic Light Scattering for Measuring Diffusion Coefficients of Formulated Insulin: Implications for Particle Size Distribution Measurements in Drug Products.

    Science.gov (United States)

    Patil, Sharadrao M; Keire, David A; Chen, Kang

    2017-11-01

    Particle size distribution, a measurable physicochemical quantity, is a critical quality attribute of drug products that needs to be controlled in drug manufacturing. The non-invasive methods of dynamic light scattering (DLS) and Diffusion Ordered SpectroscopY (DOSY) NMR can be used to measure diffusion coefficient and derive the corresponding hydrodynamic radius. However, little is known about their use and sensitivity as analytical tools for particle size measurement of formulated protein therapeutics. Here, DLS and DOSY-NMR methods are shown to be orthogonal and yield identical diffusion coefficient results for a homogenous monomeric protein standard, ribonuclease A. However, different diffusion coefficients were observed for five insulin drug products measured using the two methods. DOSY-NMR yielded an averaged diffusion coefficient among fast exchanging insulin oligomers, ranging between dimer and hexamer in size. By contrast, DLS showed several distinct species, including dimer, hexamer, dodecamer and other aggregates. The heterogeneity or polydisperse nature of insulin oligomers in formulation caused DOSY-NMR and DLS results to differ from each other. DLS measurements provided more quality attributes and higher sensitivity to larger aggregates than DOSY-NMR. Nevertheless, each method was sensitive to a different range of particle sizes and complemented each other. The application of both methods increases the assurance of complex drug quality in this similarity comparison.

  18. Kinetics of CO2 diffusion in human carbonic anhydrase: a study using molecular dynamics simulations and the Markov-state model.

    Science.gov (United States)

    Chen, Gong; Kong, Xian; Lu, Diannan; Wu, Jianzhong; Liu, Zheng

    2017-05-10

    Molecular dynamics (MD) simulations, in combination with the Markov-state model (MSM), were applied to probe CO 2 diffusion from an aqueous solution into the active site of human carbonic anhydrase II (hCA-II), an enzyme useful for enhanced CO 2 capture and utilization. The diffusion process in the hydrophobic pocket of hCA-II was illustrated in terms of a two-dimensional free-energy landscape. We found that CO 2 diffusion in hCA-II is a rate-limiting step in the CO 2 diffusion-binding-reaction process. The equilibrium distribution of CO 2 shows its preferential accumulation within a hydrophobic domain in the protein core region. An analysis of the committors and reactive fluxes indicates that the main pathway for CO 2 diffusion into the active site of hCA-II is through a binding pocket where residue Gln 136 contributes to the maximal flux. The simulation results offer a new perspective on the CO 2 hydration kinetics and useful insights toward the development of novel biochemical processes for more efficient CO 2 sequestration and utilization.

  19. Simultaneous diffusion, reaction and radiative loss processes in plasmas: Numerical analysis with application to the dynamics of a fusion reactor plasma

    International Nuclear Information System (INIS)

    Wilhelmsson, H.; Le Roux, M.N.

    1991-01-01

    Results are presented accounting for a selection of extensive numerical calculations of the evolution in space and time for a dynamic system, governed by a nonlinear diffusion equation with source and loss terms (which could also be nonlinear). The system is assumed to be circularly symmetric and limited by an external boundary where the value of the depending variable (e.g. temperature) is supposed to be zero. (au)

  20. Titanium zoning and diffusion chronometry reveal dynamic and late-stage quartz growth in the Youngest Toba Tuff, Indonesia

    Science.gov (United States)

    Tierney, C. R.; Reid, M. R.; Burns, D. H.; Costa Rodriguez, F.; Chesner, C. A.

    2017-12-01

    The enormous 74 ka Youngest Toba Tuff (YTT) ejected 2800 km3 of compositionally zoned (68-77 wt.% SiO2) ignimbrite and co-ignimbrite ash. Titanium zoning within YTT quartz records a dynamic growth history, and sometimes concludes with a final growth stage under different conditions. We investigated the timescales of quartz growth using diffusion chronometry, and determined whether the last stage of crystallization was the result of a discrete and chamber-wide magmatic event. This work offers insight into the dynamics and timescales of storage and remobilization of voluminous silicic magmas - an important consideration for hazards assessment. High-resolution (1 µm steps) hyperspectral CL was mapped from 5-20 quartz crystals from each of five pumices spanning the YTT compositional spectrum. CL intensity was calibrated to Ti concentration via EPMA, and numerically modeled time-dependent diffusional relaxation curves where fit to concentration profiles across zone boundaries. CL-bright/high-Ti rims are found in quartz from all samples, but become less common and have lower Ti concentrations with increasing host pumice silica content (e.g., 70 ppm vs 50 ppm). Some large crystals contain distinct CL-bright interior zones with similar Ti concentration to the rims. Onset of growth of CL-bright rims commenced between 15 and 100 years before eruption, and interior bands between 30 and 1500 years. Neither rim nor interior ages correlate significantly with host pumice silica. Rim growth on quartz evidently occurred closer to eruption than a previous estimate of several decades to centuries for quartz from a single YTT pumice (Matthews et al., 2012). The similar timing for the onset of high-Ti quartz rim growth across all samples suggests a marked and temporally discrete magmatic event in the years to decades prior to eruption and may be recording the chamber-wide influence of magmatic recharge or remobilization. High-Ti interior zones likely record older recharge events that

  1. 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.

  2. 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

  3. 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)

  4. Gradient-Driven Diffusion of Small Penetrants in Polymers Using Dual Control Volume Grand Canonical Molecular Dynamics (DCV-GCMD)

    Science.gov (United States)

    Ford, David M.; Heffelfinger, Grant S.

    1997-03-01

    Diffusion of small penetrant molecules through polymeric systems is a subject of great interest in fields as diverse as gas separation, polymer aging, separation of racemic mixtures, and drug delivery. One thread common to these phenomena is that diffusion usually occurs under a gradient in pressure or concentration, or more generally, chemical potential. Unfortunately, the relationship between such a transport diffusivity and the equilibrium ``random walk'' diffusivity (which is often more easily measured) is not well understood, especially for multicomponent systems. Dual Control Volume Grand Canonical Molecular Dyanamics (DCV-GCMD) simulation method was recently developed to allow the atomistic simulation of systems experiencing a steady-state chemical potential gradient; with this technique, direct calculation of transport properties under a gradient, such as membrane permeability and transport diffusivity, is possible. We will present a new generalization of the DCV-GCMD method and companion parallel algorithm which extends the method to model diffusion of small molecules in multi-atomic systems. DCV-GCMD results for several atomic-level models of small gas molecules diffusing through amorphous polymers will also be presented.

  5. 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.

  6. Reduction of coherent artifacts in dynamic holographic three-dimensional displays by diffraction-specific pseudorandom diffusion

    Science.gov (United States)

    Kim, Donghyun

    2004-03-01

    An electroholographic display based on diffraction-specific computation can reduce speckle by electronic diffusion through selective addition of a pseudorandom sequence. Intensity fluctuation as a result of the introduction of pseudorandom noise does not affect three-dimensional (3-D) images significantly since spatial windows formed by diffused basis fringes do not widen noticeably at low pseudorandom spread, whereas the features of the fluctuation are much smaller than human visual resolution. Experimental results obtained on the Massachusetts Institute of Technology holographic video system confirmed that the diffusion smooths 3-D images and improves the intensity nonuniformity among horizontal holographic lines.

  7. Intravoxel Incoherent Motion MR Imaging in the Head and Neck: Correlation with Dynamic Contrast-Enhanced MR Imaging and Diffusion-Weighted Imaging

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Xiao Quan [Department of Radiology and Research Institute of Radiology, University of Ulsan College of Medicine, Asan Medical Center, Seoul 05505 (Korea, Republic of); Department of Radiology, The First Affiliated Hospital of Nanjing Medical University, Nanjing 210029 (China); Choi, Young Jun; Sung, Yu Sub [Department of Radiology and Research Institute of Radiology, University of Ulsan College of Medicine, Asan Medical Center, Seoul 05505 (Korea, Republic of); Yoon, Ra Gyoung [Department of Radiology, Catholic Kwandong University International St. Mary' s Hospital, Catholic Kwandong University College of Medicine, Incheon 22711 (Korea, Republic of); Jang, Seung Won; Park, Ji Eun [Department of Radiology and Research Institute of Radiology, University of Ulsan College of Medicine, Asan Medical Center, Seoul 05505 (Korea, Republic of); Heo, Young Jin [Department of Radiology and Research Institute of Radiology, University of Ulsan College of Medicine, Asan Medical Center, Seoul 05505 (Korea, Republic of); Department of Radiology, Busan Paik Hospital, Inje University College of Medicine, Busan 47392 (Korea, Republic of); Baek, Jung Hwan; Lee, Jeong Hyun [Department of Radiology and Research Institute of Radiology, University of Ulsan College of Medicine, Asan Medical Center, Seoul 05505 (Korea, Republic of)

    2016-11-01

    To investigate the correlation between perfusion- and diffusion-related parameters from intravoxel incoherent motion (IVIM) and those from dynamic contrast-enhanced MR imaging (DCE-MRI) and diffusion-weighted imaging in tumors and normal muscles of the head and neck. We retrospectively enrolled 20 consecutive patients with head and neck tumors with MR imaging performed using a 3T MR scanner. Tissue diffusivity (D), pseudo-diffusion coefficient (D{sup *}), and perfusion fraction (f) were derived from bi-exponential fitting of IVIM data obtained with 14 different b-values in three orthogonal directions. We investigated the correlation between D, f, and D{sup *} and model-free parameters from the DCE-MRI (wash-in, T{sub max}, E{sub max}, initial AUC{sub 60}, whole AUC) and the apparent diffusion coefficient (ADC) value in the tumor and normal masseter muscle using a whole volume-of-interest approach. Pearson's correlation test was used for statistical analysis. No correlation was found between f or D{sup *} and any of the parameters from the DCE-MRI in all patients or in patients with squamous cell carcinoma (p > 0.05). The ADC was significantly correlated with D values in the tumors (p < 0.001, r = 0.980) and muscles (p = 0.013, r = 0.542), despite its significantly higher value than D. The difference between ADC and D showed significant correlation with f values in the tumors (p = 0.017, r = 0.528) and muscles (p = 0.003, r = 0.630), but no correlation with D{sup *} (p > 0.05, respectively). Intravoxel incoherent motion shows no significant correlation with model-free perfusion parameters derived from the DCE-MRI but is feasible for the analysis of diffusivity in both tumors and normal muscles of the head and neck.

  8. Intravoxel incoehrent motion MR imaging in the head and neck: Correlation with dynamic contrast-enhanced MR imaging and diffusion-weighted imaging

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Xiao Quan; Choi, Young Jun; Sung, Yu Sub; Jang, Seung Won; Park, Ji Eun; Heo, Young Jin; Beak, Jung Hwan; Lee, Jeong Hyun [Dept. of Radiology and Research Institute of Radiology, University of Ulsan College of Medicine, Asan Medical Center, Seoul (Korea, Republic of); Yoon, Ra Gyoung [Dept. of Radiology, Catholic Kwandong University International St. Mary' s Hospital, Catholic Kwandong University College of Medicine, Incheon (Korea, Republic of)

    2016-09-15

    To investigate the correlation between perfusion- and diffusion-related parameters from intravoxel incoherent motion (IVIM) and those from dynamic contrast-enhanced MR imaging (DCE-MRI) and diffusion-weighted imaging in tumors and normal muscles of the head and neck. We retrospectively enrolled 20 consecutive patients with head and neck tumors with MR imaging performed using a 3T MR scanner. Tissue diffusivity (D), pseudo-diffusion coefficient (D{sup *}), and perfusion fraction (f) were derived from bi-exponential fitting of IVIM data obtained with 14 different b-values in three orthogonal directions. We investigated the correlation between D, f, and D{sup *} and model-free parameters from the DCE-MRI (wash-in, T{sub max}, E{sub max}, initial AUC{sub 60}, whole AUC) and the apparent diffusion coefficient (ADC) value in the tumor and normal masseter muscle using a whole volume-of-interest approach. Pearson's correlation test was used for statistical analysis. No correlation was found between f or D{sup *} and any of the parameters from the DCE-MRI in all patients or in patients with squamous cell carcinoma (p > 0.05). The ADC was significantly correlated with D values in the tumors (p < 0.001, r = 0.980) and muscles (p = 0.013, r = 0.542), despite its significantly higher value than D. The difference between ADC and D showed significant correlation with f values in the tumors (p = 0.017, r = 0.528) and muscles (p = 0.003, r = 0.630), but no correlation with D{sup *} (p > 0.05, respectively). Intravoxel incoherent motion shows no significant correlation with model-free perfusion parameters derived from the DCE-MRI but is feasible for the analysis of diffusivity in both tumors and normal muscles of the head and neck.

  9. Effect of repeat purchase and dynamic market size on diffusion of an innovative technological consumer product in a segmented market

    DEFF Research Database (Denmark)

    Aggarwal, S.; Gupta, A.; Govindan, K.

    2014-01-01

    creates a spectrum effect in market with an aim to create wider product awareness and influence the market size. Whereas the differentiated promotion strategy plays major role in external influence component in the respective segment and target for adoption by the current potential segment. Previous......This study develops diffusion models for technological consumer products under the marketing environment when a product is marketed in a segmented market and observes two distinctive promotional strategies of mass and differentiated promotion; an under explored study area. Mass promotion strategy...... studies on segmented diffusion models assumed only first time purchase and constant market size which may yield underestimated results and fail to give appropriate insight of the diffusion process. The study develops and validates generalized diffusion models for segmented market incorporating...

  10. 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.

  11. 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.

  12. Anomalous gauge theories as constrained Hamiltonian systems

    International Nuclear Information System (INIS)

    Fujiwara, T.

    1989-01-01

    Anomalous gauge theories considered as constrained systems are investigated. The effects of chiral anomaly on the canonical structure are examined first for nonlinear σ-model and later for fermionic theory. The breakdown of the Gauss law constraints and the anomalous commutators among them are studied in a systematic way. An intrinsic mass term for gauge fields makes it possible to solve the Gauss law relations as second class constraints. Dirac brackets between the time components of gauge fields are shown to involve anomalous terms. Based upon the Ward-Takahashi identities for gauge symmetry, we investigate anomalous fermionic theory within the framework of path integral approach. (orig.)

  13. Long-term diffuse phosphorus pollution dynamics under the combined influence of land use and soil property variations.

    Science.gov (United States)

    Huang, Haobo; Ouyang, Wei; Wu, Haotian; Liu, Hongbin; Andrea, Critto

    2017-02-01

    Analyses of the spatial-temporal distribution of diffuse pollution in agricultural regions are essential to the sustained management of water resources. Although nutrients, such as phosphorus fertilizers, can promote crop growth while improving soil fertility, excessive nutrient inputs can produce diffuse pollution, which may results in water quality degradation. The objective of this paper is to employ the SWAT (Soil and Water Assessment Tool) to estimate diffuse P effects on temporal and spatial distributions for a typical agricultural watershed and to identify the conjunct and independent influences of long-term land use and soil properties variation on diffuse P. With the validated model, the four-period simulation results (from 1979 to 2009) indicate that land use changes from agricultural development increased diffuse P yields. However, regarding updated soil properties, no significant differences of P yield were found between 1979 and 2009, demonstrating that impact of the cropland expansion were naturalized with soil property variations. An F-test was employed to assess the essentiality of all of the variables examined during the simulation period, and the test results indicated that diffuse P loading was more sensitive to soil properties than to land use. Before the P pollution control project about the land use optimization planning, it is more effective to distinguish the impacts of land use and soil properties. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Diffusivities of lysozyme in aqueous MgCl2 solutions from dynamic light-scattering data:  Effect of protein and salt concentrations

    Energy Technology Data Exchange (ETDEWEB)

    Grigsby, J. J. [Univ. of California, Berkeley, CA (United States); Blanch, H. W. [Univ. of California, Berkeley, CA (United States); Prausnitz, J. M. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2000-03-25

    Dynamic light-scattering (DLS) studies are reported for lysozyme in aqueous magnesium chloride solutions at ionic strengths 0.6, 0.8, and 1.0 M for a temperature range 10–30 °C at pH 4.0. The diffusion coefficient of lysozyme was calculated as a function of protein concentration, salt concentration, temperature, and scattering angle. A Zimm-plot analysis provided the infinitely-dilute diffusion coefficient and the protein-concentration dependence of the diffusion coefficient. The hydrodynamic radius of a lysozyme monomer was obtained from the Stokes–Einstein equation; it is 18.6 ± 1.0 Å. The difference (1.4 Å) between the hydrodynamic and the crystal-structure radius is attributed to binding of Mg2+ ions to the protein surface and subsequent water structuring. The effect of protein concentration on the diffusion coefficient indicates that attractive interactions increase as the temperature falls at fixed salt concentration. However, when plotted against ionic strength, attractive interactions exhibit a maximum at ionic strength 0.84 M, probably because Mg2+–protein binding and water structuring become increasingly important as the concentration of magnesium ion rises. Finally, the present work suggests that inclusion of ion binding and water structuring at the protein surface in a pair-potential model is needed to achieve accurate predictions of protein-solution phase behavior.

  15. A study of the diffusion dynamics and concentration distribution of gold nanospheres (GNSs) without fluorescent labeling inside live cells using fluorescence single particle spectroscopy.

    Science.gov (United States)

    Liu, Fangchao; Dong, Chaoqing; Ren, Jicun

    2018-03-15

    Colloidal gold nanospheres (GNSs) have become important nanomaterials in biomedical applications due to their special optical properties, good chemical stability, and biocompatibility. However, measuring the diffusion coefficients or concentration distribution of GNSs within live cells accurately without any extra fluorescent labeling in situ has still not been resolved. In this work, a single particle method is developed to study the concentration distribution of folic acid-modified GNSs (FA-GNSs) internalized via folate receptors, and investigates their diffusion dynamics within live cells using single particle fluorescence correlation spectroscopy (FCS). We optimized the experimental conditions and verified the feasibility of 30 nm GNSs without extra fluorescence labeling being used for single particle detection inside live cells. Then, the FCS characterization strategy was used to measure the concentration and diffusion coefficient distributions of GNSs inside live cells and the obtained results were basically in agreement with those obtained by TEM. The results demonstrate that our strategy is characterized as an in situ, nondestructive, rapid and dynamic method for the assay of live cells, and it may be widely used in the further design of GNP-based drug delivery and therapeutics.

  16. Kinetic studies of anomalous transport

    International Nuclear Information System (INIS)

    Tang, W.M.

    1990-11-01

    Progress in achieving a physics-based understanding of anomalous transport in toroidal systems has come in large part from investigations based on the proposition that low frequency electrostatic microinstabilities are dominant in the bulk (''confinement'') region of these plasmas. Although the presence here of drift-type modes dependent on trapped particle and ion temperature gradient driven effects appears to be consistent with a number of important observed confinement trends, conventional estimates for these instabilities cannot account for the strong current (I p ) and /or q-scaling frequently found in empirically deduced global energy confinement times for auxiliary-heated discharges. The present paper deals with both linear and nonlinear physics features, ignored in simpler estimates, which could introduce an appreciable local dependence on current. It is also pointed out that while the thermal flux characteristics of drift modes have justifiably been the focus of experimental studies assessing their relevance, other transport properties associated with these microinstabilities should additionally be examined. Accordingly, the present paper provides estimates and discusses the significance of anomalous energy exchange between ions and electrons when fluctuations are present. 19 refs., 3 figs

  17. Anomalous transport in toroidal plasmas

    International Nuclear Information System (INIS)

    Punjabi, A.

    1989-12-01

    When the magnetic moment of particle is conserved, there are three mechanisms which cause anomalous transport. These are: variation of magnetic field strength in flux surface, variation of electrostatic potential in flux surface, and destruction of flux surface. The anomalous transport of different groups of particles resulting from each of these mechanisms is different. This fact can be exploited to determine the cause of transport operative in an experimental situation. This approach can give far more information on the transport than the standard confinement time measurements. To implement this approach, we have developed Monte Carlo codes for toroidal geometries. The equations of motion are developed in a set of non-canonical, practical Boozer co-ordinates by means of Jacobian transformations of the particle drift Hamiltonian equations of motion. Effects of collisions are included by appropriate stochastic changes in the constants of motion. Effects of the loop voltage on particle motions are also included. We plan to apply our method to study two problems: the problem of the hot electron tail observed in edge region of ZT-40, and the energy confinement time in TOKAPOLE II. For the ZT-40 problem three situations will be considered: a single mode in the core, a stochastic region that covers half the minor radius, a stochastic region that covers the entire plasma. A turbulent spectrum of perturbations based on the experimental data of TOKAPOLE II will be developed. This will be used to simulate electron transport resulting from ideal instabilities and resistive instabilities in TOKAPOLE II

  18. High-precision molecular dynamics simulation of UO2–PuO2: Anion self-diffusion in UO2

    International Nuclear Information System (INIS)

    Potashnikov, S.I.; Boyarchenkov, A.S.; Nekrasov, K.A.; Kupryazhkin, A.Ya.

    2013-01-01

    Highlights: ► We perform MD simulation of oxygen diffusion in UO2 (up to 50 000 ions and 1 μs time). ► We reached 1400 K and 10 −12 cm 2 /sec, which allowed direct comparison to experiments. ► S-shaped T-dependence of activation energy and λ-peak of its derivative were obtained. ► Continual superionic phase transition (rather than first or second order) was proved. ► Activation energy of exchange diffusion equals anti-Frenkel defect formation energy. -- Abstract: Our series of articles is devoted to high-precision molecular dynamics simulation of mixed actinide-oxide (MOX) fuel in the approximation of rigid ions and pair interactions (RIPI) using high-performance graphics processors (GPU). In this article we study self-diffusion mechanisms of oxygen anions in uranium dioxide (UO 2 ) with the 10 recent and widely used sets of interatomic pair potentials (SPP) under periodic (PBC) and isolated (IBC) boundary conditions. Wide range of measured diffusion coefficients (from 10 −3 cm 2 /s at melting point down to 10 −12 cm 2 /s at 1400 K) made possible a direct comparison (without extrapolation) of the simulation results with the experimental data, which have been known only at low temperatures (T < 1500 K). A highly detailed (with the temperature step of 1 K) calculation of the diffusion coefficient allowed us to plot temperature dependences of the diffusion activation energy and its derivative, both of which show a wide (∼1000 K) superionic transition region confirming the broad λ-peaks of heat capacity obtained by us earlier. It is shown that regardless of SPP the anion self-diffusion in model crystals without surface or artificially embedded defects goes on via exchange mechanism, rather than interstitial or vacancy mechanisms suggested by the previous works. The activation energy of exchange diffusion turned out to coincide with the anti-Frenkel defect formation energy calculated by the lattice statics

  19. Diffusion-Controlled Recrystallization of Water Sorbed into Poly(meth)acrylates Revealed by Variable-Temperature Mid-Infrared Spectroscopy and Molecular Dynamics Simulation.

    Science.gov (United States)

    Yasoshima, Nobuhiro; Fukuoka, Mizuki; Kitano, Hiromi; Kagaya, Shigehiro; Ishiyama, Tatsuya; Gemmei-Ide, Makoto

    2017-05-18

    Recrystallization behaviors of water sorbed into four poly(meth)acrylates, poly(2-methoxyethyl acrylate), poly(tetrahydrofurfuryl acrylate), poly(methyl acrylate), and poly(methyl methacrylate), are investigated by variable-temperature mid-infrared (VT-MIR) spectroscopy and molecular dynamics (MD) simulation. VT-MIR spectra demonstrate that recrystallization temperatures of water sorbed into the polymers are positively correlated with their glass-transition temperatures reported previously. The present MD simulation shows that a lower-limit temperature of the diffusion for the sorbed water and the glass-transition temperatures of the polymers also have a positive correlation, indicating that the recrystallization is controlled by diffusion mechanism rather than reorientation mechanism. Detailed molecular processes of not only recrystallization during rewarming but also crystallization during cooling and hydrogen-bonding states of water in the polymers are systematically analyzed and discussed.

  20. 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)