Anomalous diffusion in a dynamical optical lattice
Zheng, Wei; Cooper, Nigel R.
2018-02-01
Motivated by experimental progress in strongly coupled atom-photon systems in optical cavities, we study theoretically the quantum dynamics of atoms coupled to a one-dimensional dynamical optical lattice. The dynamical lattice is chosen to have a period that is incommensurate with that of an underlying static lattice, leading to a dynamical version of the Aubry-André model which can cause localization of single-particle wave functions. We show that atomic wave packets in this dynamical lattice generically spread via anomalous diffusion, which can be tuned between superdiffusive and subdiffusive regimes. This anomalous diffusion arises from an interplay between Anderson localization and quantum fluctuations of the cavity field.
Anomalous diffusion in chaotic scattering
International Nuclear Information System (INIS)
Srokowski, T.; Ploszajczak, M.
1994-01-01
The anomalous diffusion is found for peripheral collision of atomic nuclei described in the framework of the molecular dynamics. Similarly as for chaotic billiards, the long free paths are the source of the long-time correlations and the anomalous diffusion. Consequences of this finding for the energy dissipation in deep-inelastic collisions and the dynamics of fission in hot nuclei are discussed (authors). 30 refs., 2 figs
Fractional Diffusion Equations and Anomalous Diffusion
Evangelista, Luiz Roberto; Kaminski Lenzi, Ervin
2018-01-01
Preface; 1. Mathematical preliminaries; 2. A survey of the fractional calculus; 3. From normal to anomalous diffusion; 4. Fractional diffusion equations: elementary applications; 5. Fractional diffusion equations: surface effects; 6. Fractional nonlinear diffusion equation; 7. Anomalous diffusion: anisotropic case; 8. Fractional Schrödinger equations; 9. Anomalous diffusion and impedance spectroscopy; 10. The Poisson–Nernst–Planck anomalous (PNPA) models; References; Index.
Diffusion coefficient for anomalous transport
International Nuclear Information System (INIS)
1986-01-01
A report on the progress towards the goal of estimating the diffusion coefficient for anomalous transport is given. The gyrokinetic theory is used to identify different time and length scale inherent to the characteristics of plasmas which exhibit anomalous transport
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
Fractional diffusion equations and anomalous diffusion
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.
Multienergy anomalous diffuse scattering
Czech Academy of Sciences Publication Activity Database
Kopecký, Miloš; Fábry, Jan; Kub, Jiří; Lausi, A.; Busetto, E.
2008-01-01
Roč. 100, č. 19 (2008), 195504/1-195504/4 ISSN 0031-9007 R&D Projects: GA AV ČR IAA100100529 Institutional research plan: CEZ:AV0Z10100523 Keywords : diffuse scattering * x-rays * structure determination Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 7.180, year: 2008
From localization to anomalous diffusion in the dynamics of coupled kicked rotors
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.
From localization to anomalous diffusion in the dynamics of coupled kicked rotors.
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.
Fluctuation relations for anomalous dynamics
International Nuclear Information System (INIS)
Chechkin, A V; Klages, R
2009-01-01
We consider work fluctuation relations (FRs) for generic types of dynamics generating anomalous diffusion: Lévy flights, long-correlated Gaussian processes and time-fractional kinetics. By combining Langevin and kinetic approaches we calculate the probability distributions of mechanical and thermodynamical work in two paradigmatic nonequilibrium situations, respectively: a particle subject to a constant force and a particle in a harmonic potential dragged by a constant force. We check the transient FR for two models exhibiting superdiffusion, where a fluctuation-dissipation relation does not exist, and for two other models displaying subdiffusion, where there is a fluctuation-dissipation relation. In the two former cases the conventional transient FR is not recovered, whereas in the latter two it holds either exactly or in the long-time limit. (letter)
Anomalous water diffusion in salt solutions
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
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)
Anomalous diffusion spreads its wings
Energy Technology Data Exchange (ETDEWEB)
Klafter, J. [School of Chemistry, Tel Aviv University, Tel-Aviv (Israel)]. E-mail: klafter@post.tau.ac.il; Sokolov, I.M. [Institute of Physics, Humboldt University, Berlin (Germany)]. E-mail: igor.sokolov@physik.hu-berlin.de
2005-08-01
An increasing number of natural phenomena do not fit into the relatively simple description of diffusion developed by Einstein a century ago. As all of us are no doubt aware, this year has been declared 'world year of physics' to celebrate the three remarkable breakthroughs made by Albert Einstein in 1905. However, it is not so well known that Einstein's work on Brownian motion - the random motion of tiny particles first observed and investigated by the botanist Robert Brown in 1827 - has been cited more times in the scientific literature than his more famous papers on special relativity and the quantum nature of light. In a series of publications that included his doctoral thesis, Einstein derived an equation for Brownian motion from microscopic principles - a feat that ultimately enabled Jean Perrin and others to prove the existence of atoms (see 'Einstein's random walk' Physics World January pp19-22). Einstein was not the only person thinking about this type of problem. The 27 July 1905 issue of Nature contained a letter with the title 'The problem of the random walk' by the British statistician Karl Pearson, who was interested in the way that mosquitoes spread malaria, which he showed was described by the well-known diffusion equation. As such, the displacement of a mosquito from its initial position is proportional to the square root of time, and the distribution of the positions of many such 'random walkers' starting from the same origin is Gaussian in form. The random walk has since turned out to be intimately linked to Einstein's work on Brownian motion, and has become a major tool for understanding diffusive processes in nature. (U.K.)
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.
Polymer translocation through a nanopore: a showcase of anomalous diffusion.
Milchev, A; Dubbeldam, Johan L A; Rostiashvili, Vakhtang G; Vilgis, Thomas A
2009-04-01
We investigate the translocation dynamics of a polymer chain threaded through a membrane nanopore by a chemical potential gradient that acts on the chain segments inside the pore. By means of diverse methods (scaling theory, fractional calculus, and Monte Carlo and molecular dynamics simulations), we demonstrate that the relevant dynamic variable, the transported number of polymer segments, s(t), displays an anomalous diffusive behavior, both with and without an external driving force being present. We show that in the absence of drag force the time tau, needed for a macromolecule of length N to thread from the cis into the trans side of a cell membrane, scales as tauN(2/alpha) with the chain length. The anomalous dynamics of the translocation process is governed by a universal exponent alpha= 2/(2nu + 2 - gamma(1)), which contains the basic universal exponents of polymer physics, nu (the Flory exponent) and gamma(1) (the surface entropic exponent). A closed analytic expression for the probability to find s translocated segments at time t in terms of chain length N and applied drag force f is derived from the fractional Fokker-Planck equation, and shown to provide analytic results for the time variation of the statistical moments and . It turns out that the average translocation time scales as tau proportional, f(-1)N(2/alpha-1). These results are tested and found to be in perfect agreement with extensive Monte Carlo and molecular dynamics computer simulations.
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.
Mechanisms underlying anomalous diffusion in the plasma membrane.
Krapf, Diego
2015-01-01
The plasma membrane is a complex fluid where lipids and proteins undergo diffusive motion critical to biochemical reactions. Through quantitative imaging analyses such as single-particle tracking, it is observed that diffusion in the cell membrane is usually anomalous in the sense that the mean squared displacement is not linear with time. This chapter describes the different models that are employed to describe anomalous diffusion, paying special attention to the experimental evidence that supports these models in the plasma membrane. We review models based on anticorrelated displacements, such as fractional Brownian motion and obstructed diffusion, and nonstationary models such as continuous time random walks. We also emphasize evidence for the formation of distinct compartments that transiently form on the cell surface. Finally, we overview heterogeneous diffusion processes in the plasma membrane, which have recently attracted considerable interest. Copyright © 2015. Published by Elsevier Inc.
Fractal diffusion equations: Microscopic models with anomalous diffusion and its generalizations
International Nuclear Information System (INIS)
Arkhincheev, V.E.
2001-04-01
To describe the ''anomalous'' diffusion the generalized diffusion equations of fractal order are deduced from microscopic models with anomalous diffusion as Comb model and Levy flights. It is shown that two types of equations are possible: with fractional temporal and fractional spatial derivatives. The solutions of these equations are obtained and the physical sense of these fractional equations is discussed. The relation between diffusion and conductivity is studied and the well-known Einstein relation is generalized for the anomalous diffusion case. It is shown that for Levy flight diffusion the Ohm's law is not applied and the current depends on electric field in a nonlinear way due to the anomalous character of Levy flights. The results of numerical simulations, which confirmed this conclusion, are also presented. (author)
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)
Anomalous fast diffusion in Cu-NiFe nanolaminates.
Energy Technology Data Exchange (ETDEWEB)
Jankowski, Alan F. [Sandia National Laboratories (SNL-CA), Livermore, CA (United States). Energy Nanomaterials Dept.
2017-09-01
For this work, the decomposition of the one-dimensional composition wave in Cu-NiFe nanolaminate structures is examined using x-ray diffraction to assess the kinetics of phase decomposition. The anomalously high diffusivity value found for long-term aging at room temperature is attributed to the inherent nanostructure that features paths for short-circuit diffusion in nanolaminates as attributed to interlayer grain boundaries.
Anomalous 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.
Path Integral Formulation of Anomalous Diffusion Processes
Friedrich, Rudolf; Eule, Stephan
2011-01-01
We present the path integral formulation of a broad class of generalized diffusion processes. Employing the path integral we derive exact expressions for the path probability densities and joint probability distributions for the class of processes under consideration. We show that Continuous Time Random Walks (CTRWs) are included in our framework. A closed expression for the path probability distribution of CTRWs is found in terms of their waiting time distribution as the solution of a Dyson ...
Anomalous Transport of Cosmic Rays in a Nonlinear Diffusion Model
Energy Technology Data Exchange (ETDEWEB)
Litvinenko, Yuri E. [Department of Mathematics, University of Waikato, P. B. 3105, Hamilton 3240 (New Zealand); Fichtner, Horst; Walter, Dominik [Institut für Theoretische Physik IV, Ruhr-Universität Bochum, Universitätsstrasse 150, D-44780 Bochum (Germany)
2017-05-20
We investigate analytically and numerically the transport of cosmic rays following their escape from a shock or another localized acceleration site. Observed cosmic-ray distributions in the vicinity of heliospheric and astrophysical shocks imply that anomalous, superdiffusive transport plays a role in the evolution of the energetic particles. Several authors have quantitatively described the anomalous diffusion scalings, implied by the data, by solutions of a formal transport equation with fractional derivatives. Yet the physical basis of the fractional diffusion model remains uncertain. We explore an alternative model of the cosmic-ray transport: a nonlinear diffusion equation that follows from a self-consistent treatment of the resonantly interacting cosmic-ray particles and their self-generated turbulence. The nonlinear model naturally leads to superdiffusive scalings. In the presence of convection, the model yields a power-law dependence of the particle density on the distance upstream of the shock. Although the results do not refute the use of a fractional advection–diffusion equation, they indicate a viable alternative to explain the anomalous diffusion scalings of cosmic-ray particles.
Absolute negative mobility in the anomalous diffusion
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.
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
Anomalous diffusion in niobium. Study of solute diffusion mechanism of iron in niobium
International Nuclear Information System (INIS)
Ablitzer, D.
1977-01-01
In order to explain anomalously high diffusion velocities observed for iron diffusion in niobium, the following parameters were measured: isotope effect, b factor (which expresses the effect of iron on niobium self-diffusion), self-diffusion coefficient of niobium, solute diffusion coefficient of iron in niobium. The results obtained show that neither pure vacancy models, nor diffusion in the lattice defects (dislocations, sub-boundaries, grain boundaries), nor pure interstitialy mechanisms, nor simple or cyclic exchange mechanisms agree with experiments. A mechanism is proposed which considers an equilibrium between substitution iron atoms and interstitial iron atoms. The diffusion of iron then occurs through interstitial vancancy pairs [fr
Anomalous transport regimes in a stochastic advection-diffusion model
International Nuclear Information System (INIS)
Dranikov, I.L.; Kondratenko, P.S.; Matveev, L.V.
2004-01-01
A general solution to the stochastic advection-diffusion problem is obtained for a fractal medium with long-range correlated spatial fluctuations. A particular transport regime is determined by two basic parameters: the exponent 2h of power-law decay of the two-point velocity correlation function and the mean advection velocity u. The values of these parameters corresponding to anomalous diffusion are determined, and anomalous behavior of the tracer distribution is analyzed for various combinations of u and h. The tracer concentration is shown to decrease exponentially at large distances, whereas power-law decay is predicted by fractional differential equations. Equations that describe the essential characteristics of the solution are written in terms of coupled space-time fractional differential operators. The analysis relies on a diagrammatic technique and makes use of scale-invariant properties of the medium
A fractional Fokker-Planck model for anomalous diffusion
Energy Technology Data Exchange (ETDEWEB)
Anderson, Johan, E-mail: anderson.johan@gmail.com [Department of Earth and Space Sciences, Chalmers University of Technology, SE-412 96 Göteborg (Sweden); Kim, Eun-jin [Department of Mathematics and Statistics, University of Sheffield, Hicks Building, Hounsfield Road, Sheffield S3 7RH (United Kingdom); Moradi, Sara [Ecole Polytechnique, CNRS UMR7648, LPP, F-91128 Palaiseau (France)
2014-12-15
In this paper, we present a study of anomalous diffusion using a Fokker-Planck description with fractional velocity derivatives. The distribution functions are found using numerical means for varying degree of fractionality of the stable Lévy distribution. The statistical properties of the distribution functions are assessed by a generalized normalized expectation measure and entropy in terms of Tsallis statistical mechanics. We find that the ratio of the generalized entropy and expectation is increasing with decreasing fractionality towards the well known so-called sub-diffusive domain, indicating a self-organising behavior.
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)
Asymptotic neutron scattering laws for anomalously diffusing quantum particles
Energy Technology Data Exchange (ETDEWEB)
Kneller, Gerald R. [Centre de Biophysique Moléculaire, CNRS, Rue Charles Sadron, 45071 Orléans (France); Université d’Orléans, Chateau de la Source-Ave. du Parc Floral, 45067 Orléans (France); Synchrotron-SOLEIL, L’Orme de Merisiers, 91192 Gif-sur-Yvette (France)
2016-07-28
The paper deals with a model-free approach to the analysis of quasielastic neutron scattering intensities from anomalously diffusing quantum particles. All quantities are inferred from the asymptotic form of their time-dependent mean square displacements which grow ∝t{sup α}, with 0 ≤ α < 2. Confined diffusion (α = 0) is here explicitly included. We discuss in particular the intermediate scattering function for long times and the Fourier spectrum of the velocity autocorrelation function for small frequencies. Quantum effects enter in both cases through the general symmetry properties of quantum time correlation functions. It is shown that the fractional diffusion constant can be expressed by a Green-Kubo type relation involving the real part of the velocity autocorrelation function. The theory is exact in the diffusive regime and at moderate momentum transfers.
Magin, Richard L.; Akpa, Belinda S.; Neuberger, Thomas; Webb, Andrew G.
2011-12-01
We report the appearance of anomalous water diffusion in hydrophilic Sephadex gels observed using pulse field gradient (PFG) nuclear magnetic resonance (NMR). The NMR diffusion data was collected using a Varian 14.1 Tesla imaging system with a home-built RF saddle coil. A fractional order analysis of the data was used to characterize heterogeneity in the gels for the dynamics of water diffusion in this restricted environment. Several recent studies of anomalous diffusion have used the stretched exponential function to model the decay of the NMR signal, i.e., exp[-( bD) α], where D is the apparent diffusion constant, b is determined the experimental conditions (gradient pulse separation, durations and strength), and α is a measure of structural complexity. In this work, we consider a different case where the spatial Laplacian in the Bloch-Torrey equation is generalized to a fractional order model of diffusivity via a complexity parameter, β, a space constant, μ, and a diffusion coefficient, D. This treatment reverts to the classical result for the integer order case. The fractional order decay model was fit to the diffusion-weighted signal attenuation for a range of b-values (0 < b < 4000 s mm -2). Throughout this range of b values, the parameters β, μ and D, were found to correlate with the porosity and tortuosity of the gel structure.
Lin, Guoxing
2018-05-01
Anomalous diffusion exists widely in polymer and biological systems. Pulsed-field gradient (PFG) anomalous diffusion is complicated, especially in the anisotropic case where limited research has been reported. A general PFG signal attenuation expression, including the finite gradient pulse (FGPW) effect for free general anisotropic fractional diffusion { 0 integral modified-Bloch equation, were extended to obtain general PFG signal attenuation expressions for anisotropic anomalous diffusion. Various cases of PFG anisotropic anomalous diffusion were investigated, including coupled and uncoupled anisotropic anomalous diffusion. The continuous-time random walk (CTRW) simulation was also carried out to support the theoretical results. The theory and the CTRW simulation agree with each other. The obtained signal attenuation expressions and the three-dimensional fractional modified-Bloch equations are important for analyzing PFG anisotropic anomalous diffusion in NMR and MRI.
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
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/
Reversible island nucleation and growth with anomalous diffusion
Sabbar, Ehsan H.; Amar, Jacques G.
2017-10-01
Motivated by recent experiments on submonolayer organic film growth with anomalous diffusion, a general rate-equation (RE) theory of submonolayer island nucleation and growth was developed (Amar and Semaan, 2016) [23], which takes into account the critical island-size i, island fractal dimension df, substrate dimension d, and diffusion exponent μ, and good agreement with simulations was found for the case of irreversible growth corresponding to a critical island-size i = 1 with d = 2 . However, since many experiments correspond to a critical island-size larger than 1, it is of interest to determine if the RE predictions also hold in the case of reversible island nucleation with anomalous diffusion. Here we present the results of simulations of submonolayer growth with i = 2 (d = 2) which were carried out for both the case of superdiffusion (μ > 1) and subdiffusion (μ deposited monomers, excellent agreement is obtained with the predictions of the generalized RE theory for the exponents χ(μ) and χ1(μ) which describe the dependence of the island and monomer densities at fixed coverage on deposition rate F. In addition, the exponents do not depend on whether or not monomers remain superdiffusive or are thermalized (e.g. undergo regular diffusion) after detaching from a dimer. However, we also find that, as was previously found in the case of irreversible growth, the exponent χ only approaches its asymptotic value logarithmically with increasing 1/F. This result has important implications for the interpretation of experiments. Good agreement with the RE theory is also found in the case of subdiffusion for point-islands. However, in the case of ramified islands with subdiffusion and i = 2 , the exponents are significantly higher than predicted due to the fact that monomer capture dominates in the nucleation regime. A modified RE theory which takes this into account is presented, and excellent agreement is found with our simulations.
Superstatistical generalised Langevin equation: non-Gaussian viscoelastic anomalous diffusion
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.
A tutorial on inverse problems for anomalous diffusion processes
International Nuclear Information System (INIS)
Jin, Bangti; Rundell, William
2015-01-01
Over the last two decades, anomalous diffusion processes in which the mean squares variance grows slower or faster than that in a Gaussian process have found many applications. At a macroscopic level, these processes are adequately described by fractional differential equations, which involves fractional derivatives in time or/and space. The fractional derivatives describe either history mechanism or long range interactions of particle motions at a microscopic level. The new physics can change dramatically the behavior of the forward problems. For example, the solution operator of the time fractional diffusion diffusion equation has only limited smoothing property, whereas the solution for the space fractional diffusion equation may contain weak singularity. Naturally one expects that the new physics will impact related inverse problems in terms of uniqueness, stability, and degree of ill-posedness. The last aspect is especially important from a practical point of view, i.e., stably reconstructing the quantities of interest. In this paper, we employ a formal analytic and numerical way, especially the two-parameter Mittag-Leffler function and singular value decomposition, to examine the degree of ill-posedness of several ‘classical’ inverse problems for fractional differential equations involving a Djrbashian–Caputo fractional derivative in either time or space, which represent the fractional analogues of that for classical integral order differential equations. We discuss four inverse problems, i.e., backward fractional diffusion, sideways problem, inverse source problem and inverse potential problem for time fractional diffusion, and inverse Sturm–Liouville problem, Cauchy problem, backward fractional diffusion and sideways problem for space fractional diffusion. It is found that contrary to the wide belief, the influence of anomalous diffusion on the degree of ill-posedness is not definitive: it can either significantly improve or worsen the conditioning
Normal and anomalous diffusion in fluctuations of dust concentration nearby emission source
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.
Anomalous behavior of the diffusion coefficient in thin active films
International Nuclear Information System (INIS)
Basu, Abhik; Joanny, Jean-Francois; Prost, Jacques; Jülicher, Frank
2012-01-01
Inspired by recent experiments in cell biology, we elucidate the visco-elastic properties of an active gel by studying the dynamics of a small tracer particle inside it. In a stochastic hydrodynamic approach for an active gel of finite thickness L, we calculate the mean square displacement of a particle. These particle displacements are governed by fluctuations in the velocity field. We characterize the short-time behavior when the gel is a solid as well as the limit of long times when the gel becomes a fluid and the particle shows simple diffusion. Active stresses together with local polar order give rise to velocity fluctuations that lead to characteristic behaviors of the diffusion coefficient that differ fundamentally from those found in a passive system: the diffusion coefficient can depend on system size and diverges as L approaches an instability threshold. Furthermore, the diffusion coefficient becomes independent of the particle size in this case. (paper)
Modeling of 1D Anomalous Diffusion in Fractured Nanoporous Media
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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.
Dynamical theory of anomalous particle transport
International Nuclear Information System (INIS)
Meiss, J.D.; Cary, J.R.; Escande, D.F.; MacKay, R.S.; Percival, I.C.; Tennyson, J.L.
1985-01-01
The quasi-linear theory of transport applies only in a restricted parameter range, which does not necessarily correspond to experimental conditions. Theories are developed which extend transport calculations to the regimes of marginal stochasticity and strong turbulence. Near the stochastic threshold the description of transport involves the leakage through destroyed invariant surfaces, and the dynamical scaling theory is used to obtain a universal form for transport coefficients. In the strong-turbulence regime, there is an adiabatic invariant which is preserved except near separatrices. Breakdown of this invariant leads to a new form for the diffusion coefficient. (author)
Anomalous dynamics of capillary rise in porous media
Shikhmurzaev, Yulii D.; Sprittles, James E.
2012-01-01
The anomalous dynamics of capillary rise in a porous medium discovered experimentally more than a decade ago is described. The developed theory is based on considering the principal modes of motion of the menisci that collectively form the wetting
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...
Effect of anomalous resistivity on the dynamics of plasma switching
Energy Technology Data Exchange (ETDEWEB)
Kingsep, A [Kurchatov Institute, Moscow (Russian Federation); Munier, A [Centre d` Etudes Limeil-Vaneton, Villeneuve St. Georges (France)
1997-12-31
Some of the conditions for electron MHD are recollected, and it is shown how this leads to anomalous resistivity which may play an important role in the dynamics of POS. It has been shown that not only the order of value of the resistance of the plasma-filled diode but rather basic scalings have to be changed in the regime of essential anomalous resistivity. (author). 11 refs.
International Nuclear Information System (INIS)
Maslov, V.I.; Barchuk, S.V.; Lapshin, V.I.; Volkov, E.D.; Melentsov, Yu.V.
2006-01-01
It is shown, that at development of instability due to a radial gradient of density in the crossed electric and magnetic fields in nuclear fusion installations ordering convective cells can be excited. It provides anomalous particle transport. The spatial structures of these convective cells have been constructed. The radial dimensions of these convective cells depend on their amplitudes and on a radial gradient of density. The convective-diffusion equation for radial dynamics of the electrons has been derived. At the certain value of the universal controlling parameter, the convective cell excitation and the anomalous radial transport are suppressed. (author)
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
Spin-diffusions and diffusive molecular dynamics
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.
A new model of anomalous phosphorus diffusion in silicon
International Nuclear Information System (INIS)
Budil, M.; Poetzl, H.; Stingeder, G.; Grasserbauer, M.
1989-01-01
A model is presented to describe the 'kink and tail' diffusion of phosphorus. The diffusion behaviour of phosphorus is expplained by the motion of phosphorus-interstitial and phosphorus-vacancy pairs in different charge states. The model yields the enhancement of diffusion in the tail region depending on surface concentration. Furthermore it yields the same selfdiffusion coefficient for interstitials as the gold diffusion experiments. A transformation of the diffusion equation was found to reduce the number of simulation equations. (author) 7 refs., 5 figs
Anomalous diffusion of water molecules at grain boundaries in ice Ih.
Moreira, Pedro Augusto Franco Pinheiro; Veiga, Roberto Gomes de Aguiar; Ribeiro, Ingrid de Almeida; Freitas, Rodrigo; Helfferich, Julian; de Koning, Maurice
2018-05-23
Using ab initio and classical molecular dynamics simulations, we study pre-melting phenomena in pristine coincident-site-lattice grain boundaries (GBs) in proton-disordered hexagonal ice Ih at temperatures just below the melting point Tm. Concerning pre-melt-layer thicknesses, the results are consistent with the available experimental estimates for low-disorder impurity-free GBs. With regard to molecular mobility, the simulations provide a key new insight: the translational motion of the water molecules is found to be subdiffusive for time scales from ∼10 ns up to at least 0.1 μs. Moreover, the fact that the anomalous diffusion occurs even at temperatures just below Tm where the bulk supercooled liquid still diffuses normally suggests that it is related to the confinement of the GB pre-melt layers by the surrounding crystalline environment. Furthermore, we show that this behavior can be characterized by continuous-time random walk models in which the waiting-time distributions decay according to power-laws that are very similar to those describing dynamics in glass-forming systems.
Directory of Open Access Journals (Sweden)
Lund Frederik W
2012-10-01
Full Text Available Abstract Background Cholesterol is an important membrane component, but our knowledge about its transport in cells is sparse. Previous imaging studies using dehydroergosterol (DHE, an intrinsically fluorescent sterol from yeast, have established that vesicular and non-vesicular transport modes contribute to sterol trafficking from the plasma membrane. Significant photobleaching, however, limits the possibilities for in-depth analysis of sterol dynamics using DHE. Co-trafficking studies with DHE and the recently introduced fluorescent cholesterol analog BODIPY-cholesterol (BChol suggested that the latter probe has utility for prolonged live-cell imaging of sterol transport. Results We found that BChol is very photostable under two-photon (2P-excitation allowing the acquisition of several hundred frames without significant photobleaching. Therefore, long-term tracking and diffusion measurements are possible. Two-photon temporal image correlation spectroscopy (2P-TICS provided evidence for spatially heterogeneous diffusion constants of BChol varying over two orders of magnitude from the cell interior towards the plasma membrane, where D ~ 1.3 μm2/s. Number and brightness (N&B analysis together with stochastic simulations suggest that transient partitioning of BChol into convoluted membranes slows local sterol diffusion. We observed sterol endocytosis as well as fusion and fission of sterol-containing endocytic vesicles. The mobility of endocytic vesicles, as studied by particle tracking, is well described by a model for anomalous subdiffusion on short time scales with an anomalous exponent α ~ 0.63 and an anomalous diffusion constant of Dα = 1.95 x 10-3 μm2/sα. On a longer time scale (t > ~5 s, a transition to superdiffusion consistent with slow directed transport with an average velocity of v ~ 6 x 10-3 μm/s was observed. We present an analytical model that bridges the two regimes and fit this model to vesicle
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.
International Nuclear Information System (INIS)
Maleki Moghaddam, Nader; Afarideh, Hossein; Espinosa-Paredes, Gilberto
2015-01-01
Highlights: • The new version of neutron diffusion equation for simulating anomalous diffusion is presented. • Application of fractional calculus in the nuclear reactor is revealed. • A 3D-Multigroup program is developed based on the fractional operators. • The super-diffusion and sub-diffusion phenomena are modeled in the nuclear reactors core. - Abstract: The diffusion process is categorized in three parts, normal diffusion, super-diffusion and sub-diffusion. The classical neutron diffusion equation is used to model normal diffusion. A new scheme of derivatives is required to model anomalous diffusion phenomena. The fractional space derivatives are employed to model anomalous diffusion processes where a plume of particles spreads at an inconsistent rate with the classical Brownian motion model. In the fractional diffusion equation, the fractional Laplacians are used; therefore the statistical jump length of neutrons is unrestricted. It is clear that the fractional Laplacians are capable to model the anomalous phenomena in nuclear reactors. We have developed a NFDE-3D (neutron fractional diffusion equation) as a core calculation code to model normal and anomalous diffusion phenomena. The NFDE-3D is validated against the LMW-LWR reactor. The results demonstrate that reactors exhibit complex behavior versus order of the fractional derivatives which depends on the competition between neutron absorption and super-diffusion phenomenon
Ohm's law in turbulent plasmas and beta limitations by anomalous diffusion
International Nuclear Information System (INIS)
Borrass, K.
1978-01-01
For axisymmetric diffusive equilibria a condition is derived by means of a generalized Ohm's law. It relates some effective outward particle flux to the toroidal current density. An approximate version of it requires that the corresponding effective diffusion velocity Vsub(D)sup(*) must not exceed the poloidal magnetic diffusion velocity Vsub(m). The simple version of Ohm's law as used in transport calculations only applies if Vsub(D)sup(*)<< Vsub(m). A preliminary discussion is performed for the case of anomalous diffusion due to trapped particle instabilities. (author)
Magdziarz, M.; Mista, P.; Weron, A.
2007-05-01
We introduce an approximation of the risk processes by anomalous diffusion. In the paper we consider the case, where the waiting times between successive occurrences of the claims belong to the domain of attraction of alpha -stable distribution. The relationship between the obtained approximation and the celebrated fractional diffusion equation is emphasised. We also establish upper bounds for the ruin probability in the considered model and give some numerical examples.
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.
TRANSIENT ANOMALOUS SUB-DIFFUSION ON BOUNDED DOMAINS
MEERSCHAERT, MARK M.; NANE, ERKAN; VELLAISAMY, P.
2012-01-01
This paper develops strong solutions and stochastic solutions for the tempered fractional diffusion equation on bounded domains. First the eigenvalue problem for tempered fractional derivatives is solved. Then a separation of variables, and eigenfunction expansions in time and space, are used to write strong solutions. Finally, stochastic solutions are written in terms of an inverse subordinator.
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
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.
Anomalous relaxation in binary mixtures: a dynamic facilitation picture
International Nuclear Information System (INIS)
Moreno, A J; Colmenero, J
2007-01-01
Recent computational investigations of polymeric and non-polymeric binary mixtures have reported anomalous relaxation features when both components exhibit very different mobilities. Anomalous relaxation is characterized by sublinear power-law behaviour for mean-squared displacements, logarithmic decay in dynamic correlators, and a striking concave-to-convex crossover in the latter by tuning the relevant control parameter, in analogy with predictions of the mode-coupling theory for state points close to higher-order transitions. We present Monte Carlo simulations on a coarse-grained model for relaxation in binary mixtures. The liquid structure is substituted by a three-dimensional array of cells. A spin variable is assigned to each cell, representing unexcited and excited local states of a mobility field. Changes in local mobility (spin flip) are permitted according to kinetic constraints determined by the mobilities of the neighbouring cells. We introduce two types of cell ('fast' and 'slow') with very different rates for spin flip. This coarse-grained model qualitatively reproduces the mentioned anomalous relaxation features observed for real binary mixtures
Decoherence and quantum walks: Anomalous diffusion and ballistic tails
International Nuclear Information System (INIS)
Prokof'ev, N. V.; Stamp, P. C. E.
2006-01-01
The common perception is that strong coupling to the environment will always render the evolution of the system density matrix quasiclassical (in fact, diffusive) in the long time limit. We present here a counterexample, in which a particle makes quantum transitions between the sites of a d-dimensional hypercubic lattice while strongly coupled to a bath of two-level systems that 'record' the transitions. The long-time evolution of an initial wave packet is found to be most unusual: the mean square displacement of the particle density matrix shows long-range ballistic behavior, with 2 >∼t 2 , but simultaneously a kind of weakly localized behavior near the origin. This result may have important implications for the design of quantum computing algorithms, since it describes a class of quantum walks
Anomalous diffusion in neutral evolution of model proteins
Nelson, Erik D.; Grishin, Nick V.
2015-06-01
Protein evolution is frequently explored using minimalist polymer models, however, little attention has been given to the problem of structural drift, or diffusion. Here, we study neutral evolution of small protein motifs using an off-lattice heteropolymer model in which individual monomers interact as low-resolution amino acids. In contrast to most earlier models, both the length and folded structure of the polymers are permitted to change. To describe structural change, we compute the mean-square distance (MSD) between monomers in homologous folds separated by n neutral mutations. We find that structural change is episodic, and, averaged over lineages (for example, those extending from a single sequence), exhibits a power-law dependence on n . We show that this exponent depends on the alignment method used, and we analyze the distribution of waiting times between neutral mutations. The latter are more disperse than for models required to maintain a specific fold, but exhibit a similar power-law tail.
The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion
Energy Technology Data Exchange (ETDEWEB)
Guo, Ran; Du, Jiulin, E-mail: jiulindu@aliyun.com
2015-08-15
We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution.
The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion
International Nuclear Information System (INIS)
Guo, Ran; Du, Jiulin
2015-01-01
We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution
Unfair and Anomalous Evolutionary Dynamics from Fluctuating Payoffs
Stollmeier, Frank; Nagler, Jan
2018-02-01
Evolution occurs in populations of reproducing individuals. Reproduction depends on the payoff a strategy receives. The payoff depends on the environment that may change over time, on intrinsic uncertainties, and on other sources of randomness. These temporal variations in the payoffs can affect which traits evolve. Understanding evolutionary game dynamics that are affected by varying payoffs remains difficult. Here we study the impact of arbitrary amplitudes and covariances of temporally varying payoffs on the dynamics. The evolutionary dynamics may be "unfair," meaning that, on average, two coexisting strategies may persistently receive different payoffs. This mechanism can induce an anomalous coexistence of cooperators and defectors in the prisoner's dilemma, and an unexpected selection reversal in the hawk-dove game.
International Nuclear Information System (INIS)
Khorrami, Mohammad; Shariati, Ahmad; Aghamohammadi, Amir; Fatollahi, Amir H.
2012-01-01
It is shown that as far as the linear diffusion equation meets both time- and space-translational invariance, the time dependence of a moment of degree α is a polynomial of degree at most equal to α, while all connected moments are at most linear functions of time. As a special case, the variance is an at most linear function of time. -- Highlights: ► The sufficient conditions for having the non-anomalous diffusion are given. ► Conditions are linearity, space-time translation invariance, solution uniqueness. ► Some versions of the fractional derivatives lack the translational invariance. ► It is shown the encoded inhomogeneity in derivatives causes anomalous behavior.
Energy Technology Data Exchange (ETDEWEB)
Khorrami, Mohammad, E-mail: mamwad@mailaps.org [Department of Physics, Alzahra University, Tehran 19938-93973 (Iran, Islamic Republic of); Shariati, Ahmad, E-mail: shariati@mailaps.org [Department of Physics, Alzahra University, Tehran 19938-93973 (Iran, Islamic Republic of); Aghamohammadi, Amir, E-mail: mohamadi@alzahra.ac.ir [Department of Physics, Alzahra University, Tehran 19938-93973 (Iran, Islamic Republic of); Fatollahi, Amir H., E-mail: ahfatol@gmail.com [Department of Physics, Alzahra University, Tehran 19938-93973 (Iran, Islamic Republic of)
2012-01-16
It is shown that as far as the linear diffusion equation meets both time- and space-translational invariance, the time dependence of a moment of degree α is a polynomial of degree at most equal to α, while all connected moments are at most linear functions of time. As a special case, the variance is an at most linear function of time. -- Highlights: ► The sufficient conditions for having the non-anomalous diffusion are given. ► Conditions are linearity, space-time translation invariance, solution uniqueness. ► Some versions of the fractional derivatives lack the translational invariance. ► It is shown the encoded inhomogeneity in derivatives causes anomalous behavior.
Anomalous dimension in a two-species reaction-diffusion system
Vollmayr-Lee, Benjamin; Hanson, Jack; McIsaac, R. Scott; Hellerick, Joshua D.
2018-01-01
We study a two-species reaction-diffusion system with the reactions A+A\\to (0, A) and A+B\\to A , with general diffusion constants D A and D B . Previous studies showed that for dimensions d≤slant 2 the B particle density decays with a nontrivial, universal exponent that includes an anomalous dimension resulting from field renormalization. We demonstrate via renormalization group methods that the scaled B particle correlation function has a distinct anomalous dimension resulting in the asymptotic scaling \\tilde CBB(r, t) ˜ tφf(r/\\sqrt{t}) , where the exponent ϕ results from the renormalization of the square of the field associated with the B particles. We compute this exponent to first order in \
In vivo Anomalous Diffusion and Weak Ergodicity Breaking of Lipid Granules
DEFF Research Database (Denmark)
Jeon, J.-H.; Tejedor, V.; Burov, S.
2011-01-01
Combining extensive single particle tracking microscopy data of endogenous lipid granules in living fission yeast cells with analytical results we show evidence for anomalous diffusion and weak ergodicity breaking. Namely we demonstrate that at short times the granules perform subdiffusion...... according to the laws of continuous time random walk theory. The associated violation of ergodicity leads to a characteristic turnover between two scaling regimes of the time averaged mean squared displacement. At longer times the granule motion is consistent with fractional Brownian motion....
A new fractional operator of variable order: Application in the description of anomalous diffusion
Yang, Xiao-Jun; Machado, J. A. Tenreiro
2017-09-01
In this paper, a new fractional operator of variable order with the use of the monotonic increasing function is proposed in sense of Caputo type. The properties in term of the Laplace and Fourier transforms are analyzed and the results for the anomalous diffusion equations of variable order are discussed. The new formulation is efficient in modeling a class of concentrations in the complex transport process.
Berry, Hugues; Chaté, Hugues
2014-02-01
In vivo measurements of the passive movements of biomolecules or vesicles in cells consistently report "anomalous diffusion," where mean-squared displacements scale as a power law of time with exponent αmovement hindrance by obstacles is often invoked. However, our understanding of how hindered diffusion leads to subdiffusion is based on diffusion amidst randomly located immobile obstacles. Here, we have used Monte Carlo simulations to investigate transient subdiffusion due to mobile obstacles with various modes of mobility. Our simulations confirm that the anomalous regimes rapidly disappear when the obstacles move by Brownian motion. By contrast, mobile obstacles with more confined displacements, e.g., Orstein-Ulhenbeck motion, are shown to preserve subdiffusive regimes. The mean-squared displacement of tracked protein displays convincing power laws with anomalous exponent α that varies with the density of Orstein-Ulhenbeck (OU) obstacles or the relaxation time scale of the OU process. In particular, some of the values we observed are significantly below the universal value predicted for immobile obstacles in two dimensions. Therefore, our results show that subdiffusion due to mobile obstacles with OU type of motion may account for the large variation range exhibited by experimental measurements in living cells and may explain that some experimental estimates are below the universal value predicted for immobile obstacles.
Anomalous dynamics of capillary rise in porous media
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.
Marin, D.; Ribeiro, M. A.; Ribeiro, H. V.; Lenzi, E. K.
2018-07-01
We investigate the solutions for a set of coupled nonlinear Fokker-Planck equations coupled by the diffusion coefficient in presence of external forces. The coupling by the diffusion coefficient implies that the diffusion of each species is influenced by the other and vice versa due to this term, which represents an interaction among them. The solutions for the stationary case are given in terms of the Tsallis distributions, when arbitrary external forces are considered. We also use the Tsallis distributions to obtain a time dependent solution for a linear external force. The results obtained from this analysis show a rich class of behavior related to anomalous diffusion, which can be characterized by compact or long-tailed distributions.
A gedankenexperiment for anomalous diffusion in a charge-fluctuating dusty plasma
International Nuclear Information System (INIS)
Kopp, Andreas; Shchekinov, Yuri A.
2014-01-01
Brownian motion with Gaussian-distributed step-sizes is the prototype of diffusive processes with the typical scaling of the mean-square displacement linear with time. There are, however, processes scaling slower or faster in time due to differently (e.g., power-law) distributed step-sizes, commonly referred to as sub- and superdiffusion, respectively. We address the question whether there is actually a physical reason for a discrimination between normal and anomalous diffusion or whether such processes can be regarded as a special case of normal diffusion with a complicated space- and time-dependent diffusion coefficient. In order to get to the bottom of this question, we construct a numerical gedankenexperiment, which is designed to be as simple as possible and consists of dust particles embedded as test particles into a homogeneous magnetic field that randomly changes their charge. The only parameter governing the system is the ratio of the time-scales for gyration and for recharging. By performing full-orbit simulations of such particles, we are for the first time able to (i) describe a system exhibiting sub-, normal, or superdiffusion as an asymptotic behavior, i.e., not merely as an intermediate state during the evolution of the system. We (ii) observe superdiffusion for low values of the controlling parameter, normal diffusion over a wide plateau of intermediate values, and subdiffusion for high values, i.e., we found (iii) a simple system with one single and illustrative parameter controlling whether the system exhibits super-, normal, or subdiffusion. The crucial point is (iv) a competition between ballistic (particles uncharged, extreme superdiffusion) and confined (charged, extreme subdiffusion) motions. Our system is homogeneous in space and time, so that its (v) behavior cannot be described by normal diffusion with a special diffusion coefficient, and the competition is (vi) fundamentally different from a Gaussian random walk and may be regarded as one
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.
Modeling anomalous diffusion by a subordinated fractional Lévy-stable process
International Nuclear Information System (INIS)
Teuerle, Marek; Wyłomańska, Agnieszka; Sikora, Grzegorz
2013-01-01
Two phenomena that can be discovered in systems with anomalous diffusion are long-range dependence and trapping events. The first effect concerns events that are arbitrarily distant but still influence each other exceptionally strongly, which is characteristic for anomalous regimes. The second corresponds to the presence of constant values of the underlying process. Motivated by the relatively poor class of models that can cover these two phenomena, we introduce subordinated fractional Lévy-stable motion with tempered stable waiting times. We present in detail its main properties, propose a simulation scheme and give an estimation procedure for its parameters. The last part of the paper is a presentation, via the Monte Carlo approach, of the effectiveness of the estimation of the parameters. (paper)
A two-Lane model with anomalous slow dynamics
Linford, Dan; Richards, Trevor; Pleimling, Michel
2011-10-01
It is known that in one-dimensional equilibrium systems with short range interactions a phase transition cannot exist at finite, non-zero temperatures. However, far from equilibrium, one-dimensional systems with local interactions can exhibit a phase transition. The ABC model, a three species model defined on a chain characterized by non-symmetric exchanges between particles, is known to possess a non-equilibrium phase transition. This model exhibits anomalous slow dynamics that we investigate in some detail using two-time quantities. In addition we discuss an extension of this model to a case where this single lane is coupled to a one-dimensional particle bath. This coupling yields an additional phase transition that we discuss in some detail.
Probing the type of anomalous diffusion with single-particle tracking.
Ernst, Dominique; Köhler, Jürgen; Weiss, Matthias
2014-05-07
Many reactions in complex fluids, e.g. signaling cascades in the cytoplasm of living cells, are governed by a diffusion-driven encounter of reactants. Yet, diffusion in complex fluids often exhibits an anomalous characteristic ('subdiffusion'). Since different types of subdiffusion have distinct effects on timing and equilibria of chemical reactions, a thorough determination of the reactants' type of random walk is key to a quantitative understanding of reactions in complex fluids. Here we introduce a straightforward and simple approach for determining the type of subdiffusion from single-particle tracking data. Unlike previous approaches, our method also is sensitive to transient subdiffusion phenomena, e.g. obstructed diffusion below the percolation threshold. We validate our strategy with data from experiment and simulation.
Zhao, Yi; Cao, Xiangyu; Gao, Jun; Liu, Xiao; Li, Sijia
2016-05-16
We demonstrate a simple reconfigurable metasurface with multiple functions. Anisotropic tiles are investigated and manufactured as fundamental elements. Then, the tiles are combined in a certain sequence to construct a metasurface. Each of the tiles can be adjusted independently which is like a jigsaw puzzle and the whole metasurface can achieve diverse functions by different layouts. For demonstration purposes, we realize polarization conversion, anomalous reflection and diffusion by a jigsaw puzzle metasurface with 6 × 6 pieces of anisotropic tile. Simulated and measured results prove that our method offers a simple and effective strategy for metasurface design.
Fractional single-phase-lagging heat conduction model for describing anomalous diffusion
Directory of Open Access Journals (Sweden)
T.N. Mishra
2016-03-01
Full Text Available The fractional single-phase-lagging (FSPL heat conduction model is obtained by combining scalar time fractional conservation equation to the single-phase-lagging (SPL heat conduction model. Based on the FSPL heat conduction model, anomalous diffusion within a finite thin film is investigated. The effect of different parameters on solution has been observed and studied the asymptotic behavior of the FSPL model. The analytical solution is obtained using Laplace transform method. The whole analysis is presented in dimensionless form. Numerical examples of particular interest have been studied and discussed in details.
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
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
Molecular Dynamics Simulation of Salt Diffusion in Polyelectrolyte Assemblies.
Zhang, Ran; Duan, Xiaozheng; Ding, Mingming; Shi, Tongfei
2018-06-05
The diffusion of salt ions and charged probe molecules in polyelectrolyte assemblies is often assumed to follow a theoretical hopping model, in which the diffusing ion is hopping between charged sites of chains based on electroneutrality. However, experimental verification of diffusing pathway at such microscales is difficult, and the corresponding molecular mechanisms remain elusive. In this study, we perform all-atom molecular dynamics (MD) simulations of salt diffusion in polyelectrolyte (PE) assembly of poly (sodium 4-styrenesulfonate) (PSS) and poly (diallyldimethylammonium chloride) (PDAC). Besides the ion hopping mode, the diffusing trajectories are found presenting common features of a jump process, i.e., subjecting to PE relaxation, water pockets in the structure open and close, thus the ion can move from one pocket to another. Anomalous subdiffusion of ions and water is observed due to the trapping scenarios in these water pockets. The jump events are much rarer compared with ion hopping but significantly increases salt diffusion with increasing temperature. Our result strongly indicates that salt diffusion in hydrated PDAC/PSS is a combined process of ion hopping and jump motion. This provides new molecular explanation for the coupling of salt motion with chain motion and the nonlinear increase of salt diffusion at glass transition temperature.
ION ACOUSTIC TURBULENCE, ANOMALOUS TRANSPORT, AND SYSTEM DYNAMICS IN HALL EFFECT THRUSTERS
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
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)
International Nuclear Information System (INIS)
Lunev, A.V.; Tarasov, B.A.; Nazarov, A.V.
2011-01-01
We present a classical molecular dynamics simulation of uranium dioxide in the temperature range of 300-3000 K. Temperature dependences of thermal conductivity, heat capacity and ionic conductivity are investigated. Our study shows the rise of thermal conductivity of uranium dioxide at very high temperatures (above 2500 K), which is not predicted by the former anharmonic theories. Several pair potentials are used in the simulation, and they depict similar effects. Long range forces are accounted by Ewald sums. Static thermal properties are evaluated in NPT ensemble. It is shown that a high-temperature peak on heat capacity is present and is more legible in large systems. To ensure the best reliability, transport properties are evaluated using the theory of autocorrelation functions in NVE ensemble. In order to properly define thermal conductivity in ionic systems with charge fluxes, an expression which accounts the thermoelectric effect is derived from Onsager reciprocal relations. The rise on temperature dependence of thermal conductivity is accompanied by the peak on heat capacity and an anomalous rise of ionic conductivity. However, it is shown that there is no partial melting of the oxygen sublattice, which suggests that the system does not necessarily exhibit a superionic transition. Instead, kick-out diffusion in oxygen sublattice is proposed to be the origin of such anomalous behavior of thermophysical properties. (author)
Continuous-time random-walk model for anomalous diffusion in expanding media
Le Vot, F.; Abad, E.; Yuste, S. B.
2017-09-01
Expanding media are typical in many different fields, e.g., in biology and cosmology. In general, a medium expansion (contraction) brings about dramatic changes in the behavior of diffusive transport properties such as the set of positional moments and the Green's function. Here, we focus on the characterization of such effects when the diffusion process is described by the continuous-time random-walk (CTRW) model. As is well known, when the medium is static this model yields anomalous diffusion for a proper choice of the probability density function (pdf) for the jump length and the waiting time, but the behavior may change drastically if a medium expansion is superimposed on the intrinsic random motion of the diffusing particle. For the case where the jump length and the waiting time pdfs are long-tailed, we derive a general bifractional diffusion equation which reduces to a normal diffusion equation in the appropriate limit. We then study some particular cases of interest, including Lévy flights and subdiffusive CTRWs. In the former case, we find an analytical exact solution for the Green's function (propagator). When the expansion is sufficiently fast, the contribution of the diffusive transport becomes irrelevant at long times and the propagator tends to a stationary profile in the comoving reference frame. In contrast, for a contracting medium a competition between the spreading effect of diffusion and the concentrating effect of contraction arises. In the specific case of a subdiffusive CTRW in an exponentially contracting medium, the latter effect prevails for sufficiently long times, and all the particles are eventually localized at a single point in physical space. This "big crunch" effect, totally absent in the case of normal diffusion, stems from inefficient particle spreading due to subdiffusion. We also derive a hierarchy of differential equations for the moments of the transport process described by the subdiffusive CTRW model in an expanding medium
Continuous-time random-walk model for anomalous diffusion in expanding media.
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
Bezbaruah, Pratikshya; Das, Nilakshi
2018-05-01
Anomalous diffusion of charged dust grains immersed in a plasma in the presence of strong ion-neutral collision, flowing ions, and a magnetic field has been observed. Molecular Dynamics simulation confirms the deviation from normal diffusion in an ensemble of dust grains probed in laboratory plasma chambers. Collisional effects are significant in governing the nature of diffusion. In order to have a clear idea on the transport of particles in a real experimental situation, the contribution of streaming ions and the magnetic field along with collision is considered through the relevant interaction potential. The nonlinear evolution of Mean Square Displacement is an indication of the modification in particle trajectories due to several effects as mentioned above. It is found that strong collision and ion flow significantly affect the interparticle interaction potential in the presence of the magnetic field and lead to the appearance of the asymmetric type of Debye Hückel (D H) potential. Due to the combined effect of the magnetic field, ion flow, and collision, dusty plasma exhibits a completely novel behavior. The coupling parameter Γ enhances the asymmetric D H type potential arising due to ion flow, and this may drive the system to a disordered state.
Anomalous diffusion and Levy random walk of magnetic field lines in three dimensional turbulence
International Nuclear Information System (INIS)
Zimbardo, G.; Veltri, P.; Basile, G.; Principato, S.
1995-01-01
The transport of magnetic field lines is studied numerically where three dimensional (3-D) magnetic fluctuations, with a power law spectrum, and periodic over the simulation box are superimposed on an average uniform magnetic field. The weak and the strong turbulence regime, δB∼B 0 , are investigated. In the weak turbulence case, magnetic flux tubes are separated from each other by percolating layers in which field lines undergo a chaotic motion. In this regime the field lines may exhibit Levy, rather than Gaussian, random walk, changing from Levy flights to trapped motion. The anomalous diffusion laws left-angle Δx 2 i right-angle ∝s α with α>1 and α<1, are obtained for a number of cases, and the non-Gaussian character of the field line random walk is pointed out by computing the kurtosis. Increasing the fluctuation level, and, therefore stochasticity, normal diffusion (α congruent 1) is recovered and the kurtoses reach their Gaussian value. However, the numerical results show that neither the quasi-linear theory nor the two dimensional percolation theory can be safely extrapolated to the considered 3-D strong turbulence regime. copyright 1995 American Institute of Physics
Dynamic conservation of anomalous current in gauge theories
International Nuclear Information System (INIS)
Kulikov, A.V.
1986-01-01
The symmetry of classical Lagrangian of gauge fields is shown to lead in quantum theory to certain limitations for the fields interacting with gauge ones. Due to this property, additional terms appear in the effective action in the theories with anomalous currents and its gauge invariance is ensured
Zhang, Yong; Green, Christopher T.; Tick, Geoffrey R.
2015-01-01
This study evaluates the role of the Peclet number as affected by molecular diffusion in transient anomalous transport, which is one of the major knowledge gaps in anomalous transport, by combining Monte Carlo simulations and stochastic model analysis. Two alluvial settings containing either short- or long-connected hydrofacies are generated and used as media for flow and transport modeling. Numerical experiments show that 1) the Peclet number affects both the duration of the power-law segment of tracer breakthrough curves (BTCs) and the transition rate from anomalous to Fickian transport by determining the solute residence time for a given low-permeability layer, 2) mechanical dispersion has a limited contribution to the anomalous characteristics of late-time transport as compared to molecular diffusion due to an almost negligible velocity in floodplain deposits, and 3) the initial source dimensions only enhance the power-law tail of the BTCs at short travel distances. A tempered stable stochastic (TSS) model is then applied to analyze the modeled transport. Applications show that the time-nonlocal parameters in the TSS model relate to the Peclet number, Pe. In particular, the truncation parameter in the TSS model increases nonlinearly with a decrease in Pe due to the decrease of the mean residence time, and the capacity coefficient increases with an increase in molecular diffusion which is probably due to the increase in the number of immobile particles. The above numerical experiments and stochastic analysis therefore reveal that the Peclet number as affected by molecular diffusion controls transient anomalous transport in alluvial aquifer–aquitard complexes.
A Dynamical Theory of Markovian Diffusion
Davidson, Mark
2001-01-01
A dynamical treatment of Markovian diffusion is presented and several applications discussed. The stochastic interpretation of quantum mechanics is considered within this framework. A model for Brownian movement which includes second order quantum effects is derived.
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
García-Hernández, Rubén; Melián, Gladys; D'Auria, Luca; Asensio-Ramos, María; Alonso, Mar; Padilla, Germán D.; Rodríguez, Fátima; Padrón, Eleazar; Barrancos, José; García-Merino, Marta; Amonte, Cecilia; Pérez, Aarón; Calvo, David; Hernández, Pedro A.; Pérez, Nemesio M.
2017-04-01
probably due to the increase of fluid pressure in the hydrothermal-magmatic system of Tenerife. With the aim of investigate the relationship of the observed temporal variation on diffuse CO2 emission and the seismic event occurred beneath Teide volcano in January 6, 2016, the anomalous peak of diffuse CO2 emission was tested following the Material Failure Forecast Method (FFM). To do so, a Geochemical Window Precursory Signal (GWPS) was selected between October 11 and December 13, 2016. Plotting the inverse of diffuse CO2 emission rate versus time, the interception of the linear fit of the data with the time axis indicates the theoretical moment when seismicity is most likely to occur. Surprisingly, interception of the linear fit occurred for a time window between January 6 and 9, 2017, showing an excellent correlation with the occurrence of the M 2.5 earthquake registered at Teide in January 6, 2017.
Yuste, S Bravo; Borrego, R; Abad, E
2010-02-01
We consider various anomalous d -dimensional diffusion problems in the presence of an absorbing boundary with radial symmetry. The motion of particles is described by a fractional diffusion equation. Their mean-square displacement is given by r(2) proportional, variant t(gamma)(0divergent series appear when the concentration or survival probabilities are evaluated via the method of separation of variables. While the solution for normal diffusion problems is, at most, divergent as t-->0 , the emergence of such series in the long-time domain is a specific feature of subdiffusion problems. We present a method to regularize such series, and, in some cases, validate the procedure by using alternative techniques (Laplace transform method and numerical simulations). In the normal diffusion case, we find that the signature of the initial condition on the approach to the steady state rapidly fades away and the solution approaches a single (the main) decay mode in the long-time regime. In remarkable contrast, long-time memory of the initial condition is present in the subdiffusive case as the spatial part Psi1(r) describing the long-time decay of the solution to the steady state is determined by a weighted superposition of all spatial modes characteristic of the normal diffusion problem, the weight being dependent on the initial condition. Interestingly, Psi1(r) turns out to be independent of the anomalous diffusion exponent gamma .
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.
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)
Diffusion in randomly perturbed dissipative dynamics
Rodrigues, Christian S.; Chechkin, Aleksei V.; de Moura, Alessandro P. S.; Grebogi, Celso; Klages, Rainer
2014-11-01
Dynamical systems having many coexisting attractors present interesting properties from both fundamental theoretical and modelling points of view. When such dynamics is under bounded random perturbations, the basins of attraction are no longer invariant and there is the possibility of transport among them. Here we introduce a basic theoretical setting which enables us to study this hopping process from the perspective of anomalous transport using the concept of a random dynamical system with holes. We apply it to a simple model by investigating the role of hyperbolicity for the transport among basins. We show numerically that our system exhibits non-Gaussian position distributions, power-law escape times, and subdiffusion. Our simulation results are reproduced consistently from stochastic continuous time random walk theory.
Rashid, Rafi; Chee, Stella Min Ling; Raghunath, Michael; Wohland, Thorsten
2015-04-30
Macromolecular crowding (MMC) has been used in various in vitro experimental systems to mimic in vivo physiology. This is because the crowded cytoplasm of cells contains many different types of solutes dissolved in an aqueous medium. MMC in the extracellular microenvironment is involved in maintaining stem cells in their undifferentiated state (niche) as well as in aiding their differentiation after they have travelled to new locations outside the niche. MMC at physiologically relevant fractional volume occupancies (FVOs) significantly enhances the adipogenic differentiation of human bone marrow-derived mesenchymal stem cells during chemically induced adipogenesis. The mechanism by which MMC produces this enhancement is not entirely known. In the context of extracellular collagen deposition, we have recently reported the importance of optimizing the FVO while minimizing the bulk viscosity. Two opposing properties will determine the net rate of a biochemical reaction: the negative effect of bulk viscosity and the positive effect of the excluded volume, the latter being expressed by the FVO. In this study we have looked more closely at the effect of viscosity on reaction rates. We have used fluorimetry to measure the rate of actin polymerization and fluorescence correlation spectroscopy (FCS) to measure diffusion of various probes in solutions containing the crowder Ficoll at physiological concentrations. Similar to its effect on collagen, Ficoll enhanced the actin polymerization rate despite increasing the bulk viscosity. Our FCS measurements reveal a relatively minor component of anomalous diffusion. In addition, our measurements do suggest that microviscosity becomes relevant in a crowded environment. We ruled out bulk viscosity as a cause of the rate enhancement by performing the actin polymerization assay in glycerol. These opposite effects of Ficoll and glycerol led us to conclude that microviscosity becomes relevant at the length scale of the reacting
Rashid, Rafi; Chee, Stella Min Ling; Raghunath, Michael; Wohland, Thorsten
2015-05-01
Macromolecular crowding (MMC) has been used in various in vitro experimental systems to mimic in vivo physiology. This is because the crowded cytoplasm of cells contains many different types of solutes dissolved in an aqueous medium. MMC in the extracellular microenvironment is involved in maintaining stem cells in their undifferentiated state (niche) as well as in aiding their differentiation after they have travelled to new locations outside the niche. MMC at physiologically relevant fractional volume occupancies (FVOs) significantly enhances the adipogenic differentiation of human bone marrow-derived mesenchymal stem cells during chemically induced adipogenesis. The mechanism by which MMC produces this enhancement is not entirely known. In the context of extracellular collagen deposition, we have recently reported the importance of optimizing the FVO while minimizing the bulk viscosity. Two opposing properties will determine the net rate of a biochemical reaction: the negative effect of bulk viscosity and the positive effect of the excluded volume, the latter being expressed by the FVO. In this study we have looked more closely at the effect of viscosity on reaction rates. We have used fluorimetry to measure the rate of actin polymerization and fluorescence correlation spectroscopy (FCS) to measure diffusion of various probes in solutions containing the crowder Ficoll at physiological concentrations. Similar to its effect on collagen, Ficoll enhanced the actin polymerization rate despite increasing the bulk viscosity. Our FCS measurements reveal a relatively minor component of anomalous diffusion. In addition, our measurements do suggest that microviscosity becomes relevant in a crowded environment. We ruled out bulk viscosity as a cause of the rate enhancement by performing the actin polymerization assay in glycerol. These opposite effects of Ficoll and glycerol led us to conclude that microviscosity becomes relevant at the length scale of the reacting
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
Diffuse charge dynamics in ionic thermoelectrochemical systems
Stout, Robert F.; Khair, Aditya S.
2017-08-01
Thermoelectrics are increasingly being studied as promising electrical generators in the ongoing search for alternative energy sources. In particular, recent experimental work has examined thermoelectric materials containing ionic charge carriers; however, the majority of mathematical modeling has been focused on their steady-state behavior. Here, we determine the time scales over which the diffuse charge dynamics in ionic thermoelectrochemical systems occur by analyzing the simplest model thermoelectric cell: a binary electrolyte between two parallel, blocking electrodes. We consider the application of a temperature gradient across the device while the electrodes remain electrically isolated from each other. This results in a net voltage, called the thermovoltage, via the Seebeck effect. At the same time, the Soret effect results in migration of the ions toward the cold electrode. The charge dynamics are described mathematically by the Poisson-Nernst-Planck equations for dilute solutions, in which the ion flux is driven by electromigration, Brownian diffusion, and thermal diffusion under a temperature gradient. The temperature evolves according to the heat equation. This nonlinear set of equations is linearized in the (experimentally relevant) limit of a "weak" temperature gradient. From this, we show that the time scale on which the thermovoltage develops is the Debye time, 1 /D κ2 , where D is the Brownian diffusion coefficient of both ion species, and κ-1 is the Debye length. However, the concentration gradient due to the Soret effect develops on the bulk diffusion time, L2/D , where L is the distance between the electrodes. For thin diffuse layers, which is the condition under which most real devices operate, the Debye time is orders of magnitude less than the diffusion time. Therefore, rather surprisingly, the majority of ion motion occurs after the steady thermovoltage has developed. Moreover, the dynamics are independent of the thermal diffusion
Diffuse charge dynamics in ionic thermoelectrochemical systems.
Stout, Robert F; Khair, Aditya S
2017-08-01
Thermoelectrics are increasingly being studied as promising electrical generators in the ongoing search for alternative energy sources. In particular, recent experimental work has examined thermoelectric materials containing ionic charge carriers; however, the majority of mathematical modeling has been focused on their steady-state behavior. Here, we determine the time scales over which the diffuse charge dynamics in ionic thermoelectrochemical systems occur by analyzing the simplest model thermoelectric cell: a binary electrolyte between two parallel, blocking electrodes. We consider the application of a temperature gradient across the device while the electrodes remain electrically isolated from each other. This results in a net voltage, called the thermovoltage, via the Seebeck effect. At the same time, the Soret effect results in migration of the ions toward the cold electrode. The charge dynamics are described mathematically by the Poisson-Nernst-Planck equations for dilute solutions, in which the ion flux is driven by electromigration, Brownian diffusion, and thermal diffusion under a temperature gradient. The temperature evolves according to the heat equation. This nonlinear set of equations is linearized in the (experimentally relevant) limit of a "weak" temperature gradient. From this, we show that the time scale on which the thermovoltage develops is the Debye time, 1/Dκ^{2}, where D is the Brownian diffusion coefficient of both ion species, and κ^{-1} is the Debye length. However, the concentration gradient due to the Soret effect develops on the bulk diffusion time, L^{2}/D, where L is the distance between the electrodes. For thin diffuse layers, which is the condition under which most real devices operate, the Debye time is orders of magnitude less than the diffusion time. Therefore, rather surprisingly, the majority of ion motion occurs after the steady thermovoltage has developed. Moreover, the dynamics are independent of the thermal diffusion
Fractal diffusion coefficient from dynamical zeta functions
Energy Technology Data Exchange (ETDEWEB)
Cristadoro, Giampaolo [Max Planck Institute for the Physics of Complex Systems, Noethnitzer Str. 38, D 01187 Dresden (Germany)
2006-03-10
Dynamical zeta functions provide a powerful method to analyse low-dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand, even simple one-dimensional maps can show an intricate structure of the grammar rules that may lead to a non-smooth dependence of global observables on parameters changes. A paradigmatic example is the fractal diffusion coefficient arising in a simple piecewise linear one-dimensional map of the real line. Using the Baladi-Ruelle generalization of the Milnor-Thurnston kneading determinant, we provide the exact dynamical zeta function for such a map and compute the diffusion coefficient from its smallest zero. (letter to the editor)
Fractal diffusion coefficient from dynamical zeta functions
International Nuclear Information System (INIS)
Cristadoro, Giampaolo
2006-01-01
Dynamical zeta functions provide a powerful method to analyse low-dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand, even simple one-dimensional maps can show an intricate structure of the grammar rules that may lead to a non-smooth dependence of global observables on parameters changes. A paradigmatic example is the fractal diffusion coefficient arising in a simple piecewise linear one-dimensional map of the real line. Using the Baladi-Ruelle generalization of the Milnor-Thurnston kneading determinant, we provide the exact dynamical zeta function for such a map and compute the diffusion coefficient from its smallest zero. (letter to the editor)
Anomalous quantum critical spin dynamics in YFe2Al10
Huang, K.; Tan, C.; Zhang, J.; Ding, Z.; MacLaughlin, D. E.; Bernal, O. O.; Ho, P.-C.; Baines, C.; Wu, L. S.; Aronson, M. C.; Shu, L.
2018-04-01
We report results of a muon spin relaxation (μ SR ) study of YFe2Al10 , a quasi-two-dimensional (2D) nearly ferromagnetic metal in which unconventional quantum critical behavior is observed. No static Fe2 + magnetism, with or without long-range order, is found down to 19 mK. The dynamic muon spin relaxation rate λ exhibits power-law divergences in temperature and magnetic field, the latter for fields that are too weak to affect the electronic spin dynamics directly. We attribute this to the proportionality of λ (ωμ,T ) to the dynamic structure factor S (ωμ,T ) , where ωμ≈105-107s-1 is the muon Zeeman frequency. These results suggest critical divergences of S (ωμ,T ) in both temperature and frequency. Power-law scaling and a 2D dissipative quantum XY model both yield forms for S (ω ,T ) that agree with neutron scattering data (ω ≈1012s-1 ). Extrapolation to μ SR frequencies agrees semiquantitatively with the observed temperature dependence of λ (ωμ,T ) , but predicts frequency independence for ωμ≪T , in extreme disagreement with experiment. We conclude that the quantum critical spin dynamics of YFe2Al10 is not well understood at low frequencies.
Diffusive dynamics of nanoparticles in aqueous dispersions
He, Kai; Spannuth, Melissa; Conrad, Jacinta C.; Krishnamoorti, Ramanan
2012-01-01
The diffusive dynamics of 100 nm to 400 nm diameter polystyrene nanoparticles dispersed in water were studied using brightfield and fluorescence based differential dynamic microscopy (DDM) and compared to those obtained from dynamic light scattering. The relaxation times measured with brightfield and fluorescence DDM over a broad range of concentration of nanoparticles (10 -6 ≤ φ ≤ 10-3) and scattering vectors (0.5 μm-1 < q < 10 μm-1) are in excellent agreement with each other and extrapolate quantitatively to those obtained from DLS measurements. The diffusion coefficients extracted from the q-dependent relaxation times using all three methods are independent of the nanoparticle concentration. © 2012 The Royal Society of Chemistry.
Molecular dynamics and diffusion a compilation
Fisher, David
2013-01-01
The molecular dynamics technique was developed in the 1960s as the outgrowth of attempts to model complicated systems by using either a) direct physical simulation or (following the great success of Monte Carlo methods) by b) using computer techniques. Computer simulation soon won out over clumsy physical simulation, and the ever-increasing speed and sophistication of computers has naturally made molecular dynamics simulation into a more and more successful technique. One of its most popular applications is the study of diffusion, and some experts now even claim that molecular dynamics simulation is, in the case of situations involving well-characterised elements and structures, more accurate than experimental measurement. The present double volume includes a compilation (over 600 items) of predicted solid-state diffusion data, for all of the major materials groups, dating back nearly four decades. The double volume also includes some original papers: "Determination of the Activation Energy for Formation and ...
Trapping, percolation, and anomalous diffusion of particles in a two-dimensional random field
International Nuclear Information System (INIS)
Avellaneda, M.; Apelian, C.; Elliott, F. Jr.
1993-01-01
The authors analyze the advection of particles in a velocity field with Hamiltonian H(x,y) = bar V 1 y-bar V 2 x + W 1 (y) - W 2 (x), where W i , i=1,2, are random functions with stationary, independent increments. In the absence of molecular diffusion, the particle dynamics are sensitive to the streamline topology, which depends on the mean-to-fluctuations ratio p=max(|bar V 1 |/bar U;|bar V 2 |/bar U), with bar U = [|W' 1 | 2 ] 1/2 = rms fluctuations. The model is exactly solvable for p≥1 and well suited for Monte Carlo simulations for all p. Statistics are considered of streamlines for p=0, deriving power laws for the escape probability and the length of escaping trajectories for a box of size L much-gt 1. Also obtained is a characterization of the statistical topography of the Hamiltonian. The large-scale transport is studied of advected particles with p > 0. For 0 -v/2 [x(t) - (x(t))] and t -v/2 [y(t) - (y(t))]. The large-scale motions are Fickian (v=1) or superdiffusive (v=3/2) with a non-Gaussian coarse-grained probability, according to the direction of the mean velocity relative to the underlying lattice. These results are obtained analytically for p≥1 and extended to the regime 0 1 , bar V 2 ) for which stagnation regions in the flow exist. The results are compared with existing predictions on the topology of streamlines based on percolation theory and with mean-field calculations of effective diffusivities. 29 refs., 15 figs., 7 tabs
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
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)
Gao, Qing; Srinivasan, Girish; Magin, Richard L; Zhou, Xiaohong Joe
2011-05-01
To theoretically develop and experimentally validate a formulism based on a fractional order calculus (FC) diffusion model to characterize anomalous diffusion in brain tissues measured with a twice-refocused spin-echo (TRSE) pulse sequence. The FC diffusion model is the fractional order generalization of the Bloch-Torrey equation. Using this model, an analytical expression was derived to describe the diffusion-induced signal attenuation in a TRSE pulse sequence. To experimentally validate this expression, a set of diffusion-weighted (DW) images was acquired at 3 Tesla from healthy human brains using a TRSE sequence with twelve b-values ranging from 0 to 2600 s/mm(2). For comparison, DW images were also acquired using a Stejskal-Tanner diffusion gradient in a single-shot spin-echo echo planar sequence. For both datasets, a Levenberg-Marquardt fitting algorithm was used to extract three parameters: diffusion coefficient D, fractional order derivative in space β, and a spatial parameter μ (in units of μm). Using adjusted R-squared values and standard deviations, D, β, and μ values and the goodness-of-fit in three specific regions of interest (ROIs) in white matter, gray matter, and cerebrospinal fluid, respectively, were evaluated for each of the two datasets. In addition, spatially resolved parametric maps were assessed qualitatively. The analytical expression for the TRSE sequence, derived from the FC diffusion model, accurately characterized the diffusion-induced signal loss in brain tissues at high b-values. In the selected ROIs, the goodness-of-fit and standard deviations for the TRSE dataset were comparable with the results obtained from the Stejskal-Tanner dataset, demonstrating the robustness of the FC model across multiple data acquisition strategies. Qualitatively, the D, β, and μ maps from the TRSE dataset exhibited fewer artifacts, reflecting the improved immunity to eddy currents. The diffusion-induced signal attenuation in a TRSE pulse sequence
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...
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....
Anomalous diffusion in a lattice-gas wind-tree model
International Nuclear Information System (INIS)
Kong, X.P.; Cohen, E.G.D.
1989-01-01
Two new strictly deterministic lattice-gas automata derived from Ehrenfest's wind-tree model are studied. While in one model normal diffusion occurs, the other model exhibits abnormal diffusion in that the distribution function of the displacements of the wind particle is non-Gaussian, but its second moment, the mean-square displacement, is proportional to the time, so that a diffusion coefficient can be defined. A connection with the percolation problem and a self-avoiding random walk for the case in which the lattice is completely covered with trees is discussed
Shin, Hyun Kyung; Choi, Bongsik; Talkner, Peter; Lee, Eok Kyun
2014-12-01
Based on the generalized Langevin equation for the momentum of a Brownian particle a generalized asymptotic Einstein relation is derived. It agrees with the well-known Einstein relation in the case of normal diffusion but continues to hold for sub- and super-diffusive spreading of the Brownian particle's mean square displacement. The generalized asymptotic Einstein relation is used to analyze data obtained from molecular dynamics simulations of a two-dimensional soft disk fluid. We mainly concentrated on medium densities for which we found super-diffusive behavior of a tagged fluid particle. At higher densities a range of normal diffusion can be identified. The motion presumably changes to sub-diffusion for even higher densities.
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.
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)
Mean-squared displacements for normal and anomalous diffusion of grains
International Nuclear Information System (INIS)
Trigger, S A; Heijst, G J F van; Schram, P P J M
2005-01-01
The problem of normal and anomalous space difiusion is formulated on the basis of the integral equations with various type of the probability transition functions for difiusion (PTD functions). For the cases of stationary and time-independent PTD functions the method of fractional differentiation is avoided to construct the correct probability distributions for arbitrary distances, what is important for applications to different stochastic problems. A new general integral equation for the particle distribution, which contains the time-dependent PTD function with one or, for more complicated physical situations, with two times, is formulated and discussed. On this basis fractional differentiation in time is also avoided and a wide class of time dependent PTD functions can be investigated. Calculations of the mean-squared displacements for the various cases are performed on the basis of formulated approach. The particular problems for the PTD functions, dependable from one and for two times, are solved
Seki, Kazuhiko; Bagchi, Kaushik; Bagchi, Biman
2016-05-01
Diffusion in one dimensional rugged energy landscape (REL) is predicted to be pathologically different (from any higher dimension) with a much larger chance of encountering broken ergodicity [D. L. Stein and C. M. Newman, AIP Conf. Proc. 1479, 620 (2012)]. However, no quantitative study of this difference has been reported, despite the prevalence of multidimensional physical models in the literature (like a high dimensional funnel guiding protein folding/unfolding). Paradoxically, some theoretical studies of these phenomena still employ a one dimensional diffusion description for analytical tractability. We explore the dimensionality dependent diffusion on REL by carrying out an effective medium approximation based analytical calculations and compare them with the available computer simulation results. We find that at an intermediate level of ruggedness (assumed to have a Gaussian distribution), where diffusion is well-defined, the value of the effective diffusion coefficient depends on dimensionality and changes (increases) by several factors (˜5-10) in going from 1d to 2d. In contrast, the changes in subsequent transitions (like 2d to 3d and 3d to 4d and so on) are far more modest, of the order of 10-20% only. When ruggedness is given by random traps with an exponential distribution of barrier heights, the mean square displacement (MSD) is sub-diffusive (a well-known result), but the growth of MSD is described by different exponents in one and higher dimensions. The reason for such strong ruggedness induced retardation in the case of one dimensional REL is discussed. We also discuss the special limiting case of infinite dimension (d = ∞) where the effective medium approximation becomes exact and where theoretical results become simple. We discuss, for the first time, the role of spatial correlation in the landscape on diffusion of a random walker.
Dynamic correlation of photo-excited electrons: Anomalous levels induced by light–matter coupling
Energy Technology Data Exchange (ETDEWEB)
Jiang, Xiankai [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China); Song, Bo, E-mail: bosong@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China)
2014-04-01
Nonlinear light–matter coupling plays an important role in many aspects of modern physics, such as spectroscopy, photo-induced phase transition, light-based devices, light-harvesting systems, light-directed reactions and bio-detection. However, excited states of electrons are still unclear for nano-structures and molecules in a light field. Our studies unexpectedly present that light can induce anomalous levels in the electronic structure of a donor–acceptor nanostructure with the help of the photo-excited electrons transferring dynamically between the donor and the acceptor. Furthermore, the physics underlying is revealed to be the photo-induced dynamical spin–flip correlation among electrons. These anomalous levels can significantly enhance the electron current through the nanostructure. These findings are expected to contribute greatly to the understanding of the photo-excited electrons with dynamic correlations, which provides a push to the development and application of techniques based on photosensitive molecules and nanostructures, such as light-triggered molecular devices, spectroscopic analysis, bio-molecule detection, and systems for solar energy conversion.
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
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
Quantifying the chiral magnetic effect from anomalous-viscous fluid dynamics
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
Normal and anomalous diffusion of non-interacting particles in linear nanopores
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
International Nuclear Information System (INIS)
Zimbardo, G.
2005-01-01
Plasma transport in the presence of turbulence depends on a variety of parameters like the fluctuation level ? B/B0, the ratio between the particle Larmor radius and the turbulence correlation lengths, and the turbulence anisotropy. In this presentation, we review the results of numerical simulations of plasma and magnetic field line transport in the case of anisotropic magnetic turbulence, for parameter values close to those of the solar wind. We assume a uniform background magnetic field B0 = B0ez and a Fourier representation for magnetic fluctuations, with wavectors forming any angle with respect to B0. The energy density spectrum is a power law, and in k space the constant amplitude surfaces are ellipsoids, described by the correlation lengths lx, ly, lz, which quantify the anisotropy of turbulence. For magnetic field lines, we find that transport perpendicular to the background field depends on the Kubo number R = ? B B0 lz lx . For small Kubo numbers, R ? 1, we find anomalous, non Gaussian transport regimes (both sub and superdiffusive) which can be described as a Levy random walk. Increasing the Kubo number, i.e., the fluctuation level ? B/B0 and/or the ratio lz/lx, we find first a quasilinear and then a percolative regime, both corresponding to Gaussian diffusion. For particles, we find that transport parallel and perpendicular to the background magnetic field heavily depends on the turbulence anisotropy and on the particle Larmor radius. For turbulence levels typical of the solar wind, ? B/B0 ? 0.5 ?1, when the ratio between the particle Larmor radius and the turbulence correlation lengths is small, anomalous regimes are found in the case lz/lx ? 1, with Levy random walk (superdiffusion) along the magnetic field and subdiffusion in the perpendicular directions. Conversely, for lz/lx > 1 normal, Gaussian diffusion is found. Increasing the ratio between the particle Larmor radius and the turbulence correlation lengths, the parallel superdiffusion is
On the role of quantum ion dynamics for the anomalous melting of lithium
Elatresh, Sabri; Bonev, Stanimir
2011-03-01
Lithium has attracted a lot of interest in relation to a number of counterintuitive electronic and structural changes that it exhibits under pressure. One of the most remarkable properties of dense lithium is its anomalous melting. This behavior was first predicted theoretically based on first-principles molecular dynamics (FPMD) simulations, which treated the ions classically. The lowest melting temperature was determined to be about 275~K at 65~GPa. Recent experiments measured a melting temperature about 100~K lower at the same pressure. In this talk, we will present FPMD calculations of solid and liquid lithium free energies up to 100 GPa that take into account ion quantum dynamics. We examine the significance of the quantum effects for the finite-temperature phase boundaries of lithium and, in particular, its melting curve. Work supported by NSERC, Acenet, and LLNL under Contract DE-AC52-07NA27344.
International Nuclear Information System (INIS)
Zimbardo, Gaetano
2005-01-01
Plasma transport in the presence of turbulence depends on a variety of parameters such as the fluctuation level, δB/B 0 , the ratio between the particle Larmor radius and the turbulence correlation length, and the turbulence anisotropy. In this paper, we present the results of numerical simulations of plasma and magnetic field line transport in the case of anisotropic magnetic turbulence, for parameter values close to those of the solar wind. We assume a uniform background magnetic field B 0 = B 0 e z and a Fourier representation for magnetic fluctuations, which includes wavectors oblique with respect to B 0 . The energy density spectrum is a power law, and in k space it is described by the correlation lengths l x , l y , l z , which quantify the anisotropy of turbulence. For magnetic field lines, transport perpendicular to the background field depends on the Kubo number R (δB/B 0 ) (l z /l x ). For small Kubo numbers, R 0 , or the ratio l z /l x , we find first a quasilinear regime and then a percolative regime, both corresponding to Gaussian diffusion. For particles, we find that transport parallel and perpendicular to the background magnetic field depends heavily on the turbulence anisotropy and on the particle Larmor radius. For turbulence levels typical of the solar wind, δB/B 0 ≅ 0.5-1, when the ratio between the particle Larmor radius and the turbulence correlation lengths is small, anomalous regimes are found in the case l z /l x ≤ 1, with a Levy random walk (superdiffusion) along the magnetic field and subdiffusion in the perpendicular directions. Conversely, for l z /l x > 1 normal Gaussian diffusion is found. A possible expression for generalized double diffusion is discussed
Universal Earthquake-Occurrence Jumps, Correlations with Time, and Anomalous Diffusion
International Nuclear Information System (INIS)
Corral, Alvaro
2006-01-01
Spatiotemporal properties of seismicity are investigated for a worldwide (WW) catalog and for southern California in the stationary case (SC), showing a nearly universal scaling behavior. Distributions of distances between consecutive earthquakes (jumps) are magnitude independent and show two power-law regimes, separated by jump values about 200 (WW) and 15 km (SC). Distributions of waiting times conditioned to the value of jumps show that both variables are correlated, in general, but turn out to be independent when only short or long jumps are considered. Finally, diffusion profiles are found to be independent on the magnitude, contrary to what the waiting-time distributions suggest
Anomalous diffusion of a probe in a bath of active granular chains
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.
A dynamic Monte Carlo study of anomalous current voltage behaviour in organic solar cells
International Nuclear Information System (INIS)
Feron, K.; Fell, C. J.; Zhou, X.; Belcher, W. J.; Dastoor, P. C.
2014-01-01
We present a dynamic Monte Carlo (DMC) study of s-shaped current-voltage (I-V) behaviour in organic solar cells. This anomalous behaviour causes a substantial decrease in fill factor and thus power conversion efficiency. We show that this s-shaped behaviour is induced by charge traps that are located at the electrode interface rather than in the bulk of the active layer, and that the anomaly becomes more pronounced with increasing trap depth or density. Furthermore, the s-shape anomaly is correlated with interface recombination, but not bulk recombination, thus highlighting the importance of controlling the electrode interface. While thermal annealing is known to remove the s-shape anomaly, the reason has been not clear, since these treatments induce multiple simultaneous changes to the organic solar cell structure. The DMC modelling indicates that it is the removal of aluminium clusters at the electrode, which act as charge traps, that removes the anomalous I-V behaviour. Finally, this work shows that the s-shape becomes less pronounced with increasing electron-hole recombination rate; suggesting that efficient organic photovoltaic material systems are more susceptible to these electrode interface effects
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...... drift-wave turbulence. The features of the turbulent transport of impurities are investigated by numerical simulations using a novel code that applies semi-Lagrangian pseudospectral schemes. The diffusive character of the turbulent transport of ideal impurities is demonstrated by relative...... orientation determined by the charge of the impurity particles. Second, a radial pinch scaling linearly with the mass-charge ratio of the impurities is discovered. Theoretical explanation for these observations is obtained by analysis of the model equations. (C) 2005 American Institute of Physics....
Crossover of two power laws in the anomalous diffusion of a two lipid membrane
Energy Technology Data Exchange (ETDEWEB)
Bakalis, Evangelos, E-mail: ebakalis@gmail.com, E-mail: francesco.zerbetto@unibo.it; Höfinger, Siegfried; Zerbetto, Francesco, E-mail: ebakalis@gmail.com, E-mail: francesco.zerbetto@unibo.it [Dipartimento di Chimica “G. Ciamician”, Universita’ di Bologna, Via F. Selmi 2, 40126 Bologna (Italy); Venturini, Alessandro [Institute for the Organic Synthesis and Photoreactivity, National Research Council of Italy, Via Gobetti 101, 40129 Bologna (Italy)
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.
Crossover of two power laws in the anomalous diffusion of a two lipid membrane.
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.
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.
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...
Dynamic problem of generalized thermoelastic diffusive medium
Energy Technology Data Exchange (ETDEWEB)
Kumar, Rajneesh; Kansal, Tarun [Kurukshetra University, Kurukshetra (India)
2010-01-15
The equations of generalized thermoelastic diffusion, based on the theory of Lord and Shulman with one relaxation time, are derived for anisotropic media with rotation. The variational principle and reciprocity theorem for the governing equations are derived. The propagation of leaky Rayleigh waves in a viscous fluid layer overlying a homogeneous isotropic, generalized thermoelastic diffusive half space with rotating frame of reference is studied
Diffusive Dynamics of Nanoparticles in Arrays of Nanoposts
He, Kai; Babaye Khorasani, Firoozeh; Retterer, Scott T.; Thomas, Darrell K.; Conrad, Jacinta C.; Krishnamoorti, Ramanan
2013-01-01
The diffusive dynamics of dilute dispersions of nanoparticles of diameter 200-400 nm were studied in microfabricated arrays of nanoposts using differential dynamic microscopy and single particle tracking. Posts of diameter 500 nm and height 10 μm were spaced by 1.2-10 μm on a square lattice. As the spacing between posts was decreased, the dynamics of the nanoparticles slowed. Moreover, the dynamics at all length scales were best represented by a stretched exponential rather than a simple exponential. Both the relative diffusivity and the stretching exponent decreased linearly with increased confinement and, equivalently, with decreased void volume. The slowing of the overall diffusive dynamics and the broadening distribution of nanoparticle displacements with increased confinement are consistent with the onset of dynamic heterogeneity and the approach to vitrification. © 2013 American Chemical Society.
Diffusive Dynamics of Nanoparticles in Arrays of Nanoposts
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.
Extracting the diffusion tensor from molecular dynamics simulation with Milestoning
International Nuclear Information System (INIS)
Mugnai, Mauro L.; Elber, Ron
2015-01-01
We propose an algorithm to extract the diffusion tensor from Molecular Dynamics simulations with Milestoning. A Kramers-Moyal expansion of a discrete master equation, which is the Markovian limit of the Milestoning theory, determines the diffusion tensor. To test the algorithm, we analyze overdamped Langevin trajectories and recover a multidimensional Fokker-Planck equation. The recovery process determines the flux through a mesh and estimates local kinetic parameters. Rate coefficients are converted to the derivatives of the potential of mean force and to coordinate dependent diffusion tensor. We illustrate the computation on simple models and on an atomically detailed system—the diffusion along the backbone torsions of a solvated alanine dipeptide
Weak diffusion limits of dynamic conditional correlation models
DEFF Research Database (Denmark)
Hafner, Christian M.; Laurent, Sebastien; Violante, Francesco
The properties of dynamic conditional correlation (DCC) models are still not entirely understood. This paper fills one of the gaps by deriving weak diffusion limits of a modified version of the classical DCC model. The limiting system of stochastic differential equations is characterized...... by a diffusion matrix of reduced rank. The degeneracy is due to perfect collinearity between the innovations of the volatility and correlation dynamics. For the special case of constant conditional correlations, a non-degenerate diffusion limit can be obtained. Alternative sets of conditions are considered...
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
Interestingness-Driven Diffusion Process Summarization in Dynamic Networks
DEFF Research Database (Denmark)
Qu, Qiang; Liu, Siyuan; Jensen, Christian S.
2014-01-01
The widespread use of social networks enables the rapid diffusion of information, e.g., news, among users in very large communities. It is a substantial challenge to be able to observe and understand such diffusion processes, which may be modeled as networks that are both large and dynamic. A key...... tool in this regard is data summarization. However, few existing studies aim to summarize graphs/networks for dynamics. Dynamic networks raise new challenges not found in static settings, including time sensitivity and the needs for online interestingness evaluation and summary traceability, which...... render existing techniques inapplicable. We study the topic of dynamic network summarization: how to summarize dynamic networks with millions of nodes by only capturing the few most interesting nodes or edges over time, and we address the problem by finding interestingness-driven diffusion processes...
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.)
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.)
Diffusive and subdiffusive dynamics of indoor microclimate: a time series modeling.
Maciejewska, Monika; Szczurek, Andrzej; Sikora, Grzegorz; Wyłomańska, Agnieszka
2012-09-01
The indoor microclimate is an issue in modern society, where people spend about 90% of their time indoors. Temperature and relative humidity are commonly used for its evaluation. In this context, the two parameters are usually considered as behaving in the same manner, just inversely correlated. This opinion comes from observation of the deterministic components of temperature and humidity time series. We focus on the dynamics and the dependency structure of the time series of these parameters, without deterministic components. Here we apply the mean square displacement, the autoregressive integrated moving average (ARIMA), and the methodology for studying anomalous diffusion. The analyzed data originated from five monitoring locations inside a modern office building, covering a period of nearly one week. It was found that the temperature data exhibited a transition between diffusive and subdiffusive behavior, when the building occupancy pattern changed from the weekday to the weekend pattern. At the same time the relative humidity consistently showed diffusive character. Also the structures of the dependencies of the temperature and humidity data sets were different, as shown by the different structures of the ARIMA models which were found appropriate. In the space domain, the dynamics and dependency structure of the particular parameter were preserved. This work proposes an approach to describe the very complex conditions of indoor air and it contributes to the improvement of the representative character of microclimate monitoring.
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
International Nuclear Information System (INIS)
Liu, Siyang; Zhang, Chunwei; Sun, Weifeng; Su, Wei; Wang, Shaorong; Ma, Shulang; Huang, Yu
2014-01-01
Anomalous output characteristic shift of the n-type lateral diffused metal-oxide-semiconductor transistor with floating P-top layer is investigated. It shows that the linear drain current has obvious decrease when the output characteristic of fresh device is measured for two consecutive times. The charge pumping experiments demonstrate that the decrease is not from hot-carrier degradation. The reduction of cross section area for the current flowing, which results from the squeezing of the depletion region surrounding the P-top layer, is responsible for the shift. Consequently, the current capability of this special device should be evaluated by the second measured output characteristic
Energy Technology Data Exchange (ETDEWEB)
Liu, Siyang; Zhang, Chunwei; Sun, Weifeng, E-mail: swffrog@seu.edu.cn [National ASIC System Engineering Research Center, Southeast University, Nanjing 210096 (China); Su, Wei; Wang, Shaorong; Ma, Shulang; Huang, Yu [CSMC Technologies Corporation, Wuxi 214061 (China)
2014-04-14
Anomalous output characteristic shift of the n-type lateral diffused metal-oxide-semiconductor transistor with floating P-top layer is investigated. It shows that the linear drain current has obvious decrease when the output characteristic of fresh device is measured for two consecutive times. The charge pumping experiments demonstrate that the decrease is not from hot-carrier degradation. The reduction of cross section area for the current flowing, which results from the squeezing of the depletion region surrounding the P-top layer, is responsible for the shift. Consequently, the current capability of this special device should be evaluated by the second measured output characteristic.
Complex dynamics in double-diffusive convection
Energy Technology Data Exchange (ETDEWEB)
Meca, Esteban; Ramirez-Piscina, Laureano [Universitat Politecnica de Catalunya, Departament de Fisica Aplicada, Barcelona (Spain); Mercader, Isabel; Batiste, Oriol [Universitat Politecnica de Catalunya, Departament de Fisica Aplicada, Barcelona (Spain)
2004-11-01
The dynamics of a small Prandtl number binary mixture in a laterally heated cavity is studied numerically. By combining temporal integration, steady state solving and linear stability analysis of the full PDE equations, we have been able to locate and characterize a codimension-three degenerate Takens-Bogdanov point whose unfolding describes the dynamics of the system for a certain range of Rayleigh numbers and separation ratios near S=-1. (orig.)
Dynamic aperture and transverse proton diffusion in HERA
International Nuclear Information System (INIS)
Zimmermann, F.
1994-04-01
The dynamic aperture caused by persistent-current nonlinear field errors is an important concern in the design of superconducting hadron storage rings. The HERA proton ring is the second superconducting accelerator in operation. In this lecture note, its measured dynamic aperture is compared with that inferred from comprehensive trackig studies. To understand the difference between prediction and measurement, a semi-analytical method is developed for evaluating transverse diffusion rates due to various processes, such as modulational diffusion or sweeping diffusion this analysis makes use of parameters for high-order resonances in the transverse phase space, which are obtained by normal-form algorithms using differential-algebra software. This semi-analytical results are consistent wit the measurements, and suggest that the actual dynamic aperture is caused by an interplay of tune modulation and nonlinear magnetic fields
International Nuclear Information System (INIS)
Gerhauser, H.
1980-02-01
Two superimposed miscible liquids are separated by a diffuse boundary layer providing a steady transition of density. If the heavy fluid is on top of the light one, Rayleigh-Taylor-instabilities develop and cause a rapid interchange and eventually an intermixing. This process can be subjected to dynamic stabilization by enforcing vertical oscillations upon the whole system. However, since only part of the unstable mode spectrum is completely stabilized, the remaining weakly unstable modes lead to turbulent transport processes through the boundary layer ('anomalous diffusion'), so that only a quasistationary equilibrium is achieved. In the present paper, previous experimental results on the dynamic stabilization of water superimposed by an aqueous ZnJ-solution are theoretically interpreted, and the observed spatial structure as well as the time development of the density profiles are explained. There exists an analogy between these phenomena and turbulent transport processes in tokamak discharges such as the sawtooth oscillations of internal disruptions. (orig.) [de
Bulk-mediated surface diffusion: non-Markovian desorption dynamics
International Nuclear Information System (INIS)
Revelli, Jorge A; Budde, Carlos E; Prato, Domingo; Wio, Horacio S
2005-01-01
Here we analyse the dynamics of adsorbed molecules within the bulk-mediated surface diffusion framework, when the particle's desorption mechanism is characterized by a non-Markovian process, while the particle's adsorption as well as its motion in the bulk is governed by Markovian dynamics. We study the diffusion of particles in both semi-infinite and finite cubic lattices, analysing the conditional probability to find the system on the reference absorptive plane as well as the surface dispersion as functions of time. The results are compared with known Markovian cases showing the differences that can be exploited to distinguish between Markovian and non-Markovian desorption mechanisms in experimental situations
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.
Nonlinear Dynamics of a Diffusing Interface
Duval, Walter M. B.
2001-01-01
Excitation of two miscible-viscous liquids inside a bounded enclosure in a microgravity environment has shown the evolution of quasi-stationary waves of various modes for a range of parameters. We examine computationally the nonlinear dynamics of the system as the interface breakup and bifurcates to resonance structures typified by the Rayleigh-Taylor instability mechanism. Results show that when the mean steady field is much smaller than the amplitude of the sinusoidal excitation, the system behaves linearly, and growth of quasi-stationary waves occurs through the Kelvin-Helmholtz instability mechanism. However, as the amplitude of excitation increases, nonlinearity occurs through subharmonic bifurcation prior to broadband chaos.
Lattice dynamics and thermal diffuse scattering for molecular crystals
International Nuclear Information System (INIS)
Kroon, P.A.
1977-01-01
Thermal diffuse scattering (TDS) corrections on the observed reflection intensities in the accurate determination of crystal structures by X-ray diffraction are emphasized. A lattice-dynamical model and procedure for lattice-dynamical calculations are set up. Expression for first- and second-order TDS intensity distributions are derived. A comparison with other models is made. First-order TDS corrections for naphtalene at 100 K are presented
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...
International Nuclear Information System (INIS)
Metzler, Ralf; Klafter, Joseph
2004-01-01
Fractional dynamics has experienced a firm upswing during the past few years, having been forged into a mature framework in the theory of stochastic processes. A large number of research papers developing fractional dynamics further, or applying it to various systems have appeared since our first review article on the fractional Fokker-Planck equation (Metzler R and Klafter J 2000a, Phys. Rep. 339 1-77). It therefore appears timely to put these new works in a cohesive perspective. In this review we cover both the theoretical modelling of sub- and superdiffusive processes, placing emphasis on superdiffusion, and the discussion of applications such as the correct formulation of boundary value problems to obtain the first passage time density function. We also discuss extensively the occurrence of anomalous dynamics in various fields ranging from nanoscale over biological to geophysical and environmental systems. (topical review)
Post-processing interstitialcy diffusion from molecular dynamics simulations
International Nuclear Information System (INIS)
Bhardwaj, U.; Bukkuru, S.; Warrier, M.
2016-01-01
An algorithm to rigorously trace the interstitialcy diffusion trajectory in crystals is developed. The algorithm incorporates unsupervised learning and graph optimization which obviate the need to input extra domain specific information depending on crystal or temperature of the simulation. The algorithm is implemented in a flexible framework as a post-processor to molecular dynamics (MD) simulations. We describe in detail the reduction of interstitialcy diffusion into known computational problems of unsupervised clustering and graph optimization. We also discuss the steps, computational efficiency and key components of the algorithm. Using the algorithm, thermal interstitialcy diffusion from low to near-melting point temperatures is studied. We encapsulate the algorithms in a modular framework with functionality to calculate diffusion coefficients, migration energies and other trajectory properties. The study validates the algorithm by establishing the conformity of output parameters with experimental values and provides detailed insights for the interstitialcy diffusion mechanism. The algorithm along with the help of supporting visualizations and analysis gives convincing details and a new approach to quantifying diffusion jumps, jump-lengths, time between jumps and to identify interstitials from lattice atoms. -- Graphical abstract:
Post-processing interstitialcy diffusion from molecular dynamics simulations
Energy Technology Data Exchange (ETDEWEB)
Bhardwaj, U., E-mail: haptork@gmail.com [Computational Analysis Division, BARC, Visakhapatnam, Andhra Pradesh, 530012 (India); Bukkuru, S. [Nuclear Physics Dept., Andhra University, Visakhapatnam, 530003 (India); Warrier, M. [Computational Analysis Division, BARC, Visakhapatnam, Andhra Pradesh, 530012 (India)
2016-01-15
An algorithm to rigorously trace the interstitialcy diffusion trajectory in crystals is developed. The algorithm incorporates unsupervised learning and graph optimization which obviate the need to input extra domain specific information depending on crystal or temperature of the simulation. The algorithm is implemented in a flexible framework as a post-processor to molecular dynamics (MD) simulations. We describe in detail the reduction of interstitialcy diffusion into known computational problems of unsupervised clustering and graph optimization. We also discuss the steps, computational efficiency and key components of the algorithm. Using the algorithm, thermal interstitialcy diffusion from low to near-melting point temperatures is studied. We encapsulate the algorithms in a modular framework with functionality to calculate diffusion coefficients, migration energies and other trajectory properties. The study validates the algorithm by establishing the conformity of output parameters with experimental values and provides detailed insights for the interstitialcy diffusion mechanism. The algorithm along with the help of supporting visualizations and analysis gives convincing details and a new approach to quantifying diffusion jumps, jump-lengths, time between jumps and to identify interstitials from lattice atoms. -- Graphical abstract:.
Diffusion dynamics in micro-fluidic dye lasers
DEFF Research Database (Denmark)
Gersborg-Hansen, Morten; Balslev, Søren; Mortensen, Niels Asger
2007-01-01
We have investigated the bleaching dynamics that occur in opto-fluidic dye lasers, where the liquid laser dye in a channel is locally bleached due to optical pumping. Our studies suggest that for micro-fluidic devices, the dye bleaching may be compensated through diffusion of dye molecules alone....... By relying on diffusion rather than convection to generate the necessary dye replenishment, our observation potentially allows for a significant simplification of opto-fluidic dye laser device layouts, omitting the need for cumbersome and costly external fluidic handling or on-chip micro-fluidic pumping...
Leoni, Fabio; Franzese, Giancarlo
2014-11-07
Confinement can modify the dynamics, the thermodynamics, and the structural properties of liquid water, the prototypical anomalous liquid. By considering a generic model for anomalous liquids, suitable for describing solutions of globular proteins, colloids, or liquid metals, we study by molecular dynamics simulations the effect that an attractive wall with structure and a repulsive wall without structure have on the phases, the crystal nucleation, and the dynamics of the fluid. We find that at low temperatures the large density of the attractive wall induces a high-density, high-energy structure in the first layer ("templating" effect). In turn, the first layer induces a "molding" effect on the second layer determining a structure with reduced energy and density, closer to the average density of the system. This low-density, low-energy structure propagates further through the layers by templating effect and can involve all the existing layers at the lowest temperatures investigated. Therefore, although the high-density, high-energy structure does not self-reproduce further than the first layer, the structured wall can have a long-range influence thanks to a sequence of templating, molding, and templating effects through the layers. We find that the walls also have an influence on the dynamics of the liquid, with a stronger effect near the attractive wall. In particular, we observe that the dynamics is largely heterogeneous (i) among the layers, as a consequence of the sequence of structures caused by the walls presence, and (ii) within the same layer, due to superdiffusive liquid veins within a frozen matrix of particles near the walls at low temperature and high density. Hence, the partial freezing of the first layer does not correspond necessarily to an effective reduction of the channel's section in terms of transport properties, as suggested by other authors.
Dynamics of Nano-Chain Diffusing in Porous Media
International Nuclear Information System (INIS)
Chen Jiang-Xing; Zheng Qiang; Huang Chun-Yun; Xu Jiang-Rong; Ying He-Ping
2015-01-01
A coarse-grained model is proposed to study the dynamics of a nano-chain diffusing in porous media. The simulation utilizes a hybrid method which combines stochastic rotation dynamics with molecular dynamics. Solvent molecules are explicitly taken into account to represent the hydrodynamic interactions and random fluctuations. The conformation, relaxation, and diffusion properties of a polymer chain are investigated by changing the density degree of the obstacle matrix. It is found that the average size of the chain is a nonmonotonic function of the obstacle volume fraction ϕ. A dense environment may contribute to extending a linear chain, which can be characterized by larger exponents in the corresponding power law. The relaxation behavior of a stretched chain to a steady state shows dramatic crossover from exponent to power-law relaxation when the values of φ are increased. The dependence of the diffusion coefficient on the chain size is also studied. Various kinds of scaling properties are presented and discussed. The results can give additional insight into the density effect of porous media on polymer structure and dynamics. (paper)
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
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
Pattern dynamics of the reaction-diffusion immune system.
Zheng, Qianqian; Shen, Jianwei; Wang, Zhijie
2018-01-01
In this paper, we will investigate the effect of diffusion, which is ubiquitous in nature, on the immune system using a reaction-diffusion model in order to understand the dynamical behavior of complex patterns and control the dynamics of different patterns. Through control theory and linear stability analysis of local equilibrium, we obtain the optimal condition under which the system loses stability and a Turing pattern occurs. By combining mathematical analysis and numerical simulation, we show the possible patterns and how these patterns evolve. In addition, we establish a bridge between the complex patterns and the biological mechanism using the results from a previous study in Nature Cell Biology. The results in this paper can help us better understand the biological significance of the immune system.
Mesoscopic dynamics of diffusion-influenced enzyme kinetics.
Chen, Jiang-Xing; Kapral, Raymond
2011-01-28
A particle-based mesoscopic model for enzyme kinetics is constructed and used to investigate the influence of diffusion on the reactive dynamics. Enzymes and enzyme-substrate complexes are modeled as finite-size soft spherical particles, while substrate, product, and solvent molecules are point particles. The system is evolved using a hybrid molecular dynamics-multiparticle collision dynamics scheme. Both the nonreactive and reactive dynamics are constructed to satisfy mass, momentum, and energy conservation laws, and reversible reaction steps satisfy detailed balance. Hydrodynamic interactions among the enzymes and complexes are automatically accounted for in the dynamics. Diffusion manifests itself in various ways, notably in power-law behavior in the evolution of the species concentrations. In accord with earlier investigations, regimes where the product production rate exhibits either monotonic or nonmonotonic behavior as a function of time are found. In addition, the species concentrations display both t(-1/2) and t(-3/2) power-law behavior, depending on the dynamical regime under investigation. For high enzyme volume fractions, cooperative effects influence the enzyme kinetics. The time dependent rate coefficient determined from the mass action rate law is computed and shown to depend on the enzyme concentration. Lifetime distributions of substrate molecules newly released in complex dissociation events are determined and shown to have either a power-law form for rebinding to the same enzyme from which they were released or an exponential form for rebinding to different enzymes. The model can be used and extended to explore a variety of issues related concentration effects and diffusion on enzyme kinetics.
Mesoscopic dynamics of diffusion-influenced enzyme kinetics
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.
Spatiotemporal mapping of diffusion dynamics and organization in plasma membranes
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.
EEG dynamical correlates of focal and diffuse causes of coma.
Kafashan, MohammadMehdi; Ryu, Shoko; Hargis, Mitchell J; Laurido-Soto, Osvaldo; Roberts, Debra E; Thontakudi, Akshay; Eisenman, Lawrence; Kummer, Terrance T; Ching, ShiNung
2017-11-15
Rapidly determining the causes of a depressed level of consciousness (DLOC) including coma is a common clinical challenge. Quantitative analysis of the electroencephalogram (EEG) has the potential to improve DLOC assessment by providing readily deployable, temporally detailed characterization of brain activity in such patients. While used commonly for seizure detection, EEG-based assessment of DLOC etiology is less well-established. As a first step towards etiological diagnosis, we sought to distinguish focal and diffuse causes of DLOC through assessment of temporal dynamics within EEG signals. We retrospectively analyzed EEG recordings from 40 patients with DLOC with consensus focal or diffuse culprit pathology. For each recording, we performed a suite of time-series analyses, then used a statistical framework to identify which analyses (features) could be used to distinguish between focal and diffuse cases. Using cross-validation approaches, we identified several spectral and non-spectral EEG features that were significantly different between DLOC patients with focal vs. diffuse etiologies, enabling EEG-based classification with an accuracy of 76%. Our findings suggest that DLOC due to focal vs. diffuse injuries differ along several electrophysiological parameters. These results may form the basis of future classification strategies for DLOC and coma that are more etiologically-specific and therefore therapeutically-relevant.
CO2 diffusion in champagne wines: a molecular dynamics study.
Perret, Alexandre; Bonhommeau, David A; Liger-Belair, Gérard; Cours, Thibaud; Alijah, Alexander
2014-02-20
Although diffusion is considered as the main physical process responsible for the nucleation and growth of carbon dioxide bubbles in sparkling beverages, the role of each type of molecule in the diffusion process remains unclear. In the present study, we have used the TIP5P and SPC/E water models to perform force field molecular dynamics simulations of CO2 molecules in water and in a water/ethanol mixture respecting Champagne wine proportions. CO2 diffusion coefficients were computed by applying the generalized Fick's law for the determination of multicomponent diffusion coefficients, a law that simplifies to the standard Fick's law in the case of champagnes. The CO2 diffusion coefficients obtained in pure water and water/ethanol mixtures composed of TIP5P water molecules were always found to exceed the coefficients obtained in mixtures composed of SPC/E water molecules, a trend that was attributed to a larger propensity of SPC/E water molecules to form hydrogen bonds. Despite the fact that the SPC/E model is more accurate than the TIP5P model to compute water self-diffusion and CO2 diffusion in pure water, the diffusion coefficients of CO2 molecules in the water/ethanol mixture are in much better agreement with the experimental values of 1.4 - 1.5 × 10(-9) m(2)/s obtained for Champagne wines when the TIP5P model is employed. This difference was deemed to rely on the larger propensity of SPC/E water molecules to maintain the hydrogen-bonded network between water molecules and form new hydrogen bonds with ethanol, although statistical issues cannot be completely excluded. The remarkable agreement between the theoretical CO2 diffusion coefficients obtained within the TIP5P water/ethanol mixture and the experimental data specific to Champagne wines makes us infer that the diffusion coefficient in these emblematic hydroalcoholic sparkling beverages is expected to remain roughly constant whathever their proportions in sugars, glycerol, or peptides.
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.
Convection-diffusion effects in marathon race dynamics
Rodriguez, E.; Espinosa-Paredes, G.; Alvarez-Ramirez, J.
2014-01-01
In the face of the recent terrorist attack event on the 2013 Boston Marathon, the increasing participation of recreational runners in large marathon races has imposed important logistical and safety issues for organizers and city authorities. An accurate understanding of the dynamics of the marathon pack along the race course can provide important insights for improving safety and performance of these events. On the other hand, marathon races can be seen as a model of pedestrian movement under confined conditions. This work used data of the 2011 Chicago Marathon event for modeling the dynamics of the marathon pack from the corral zone to the finish line. By considering the marathon pack as a set of particles moving along the race course, the dynamics are modeled as a convection-diffusion partial differential equation with position-dependent mean velocity and diffusion coefficient. A least-squares problem is posed and solved with optimization techniques for fitting field data from the 2011 Chicago Marathon. It was obtained that the mean pack velocity decreases while the diffusion coefficient increases with distance. This means that the dispersion rate of the initially compact marathon pack increases as the marathon race evolves along the race course.
Kangsabanik, Jiban; Chouhan, Rajiv K.; Johnson, D. D.; Alam, Aftab
2017-09-01
Gold iron (Au-Fe) alloys are of immense interest due to their biocompatibility, anomalous Hall conductivity, and applications in various medical treatments. However, irrespective of the method of preparation, they often exhibit a high level of disorder with properties sensitive to the thermal or magnetic annealing temperatures. We calculate the lattice dynamical properties of Au1 -xFex alloys using density functional theory methods where, being multisite properties, reliable interatomic force constant (IFC) calculations in disordered alloys remain a challenge. We follow a twofold approach: (1) an accurate IFC calculation in an environment with nominally zero chemical pair correlations to mimic the homogeneously disordered alloy and (2) a configurational averaging for the desired phonon properties (e.g., dispersion, density of states, and entropy). We find an anomalous change in the IFC's and phonon dispersion (split bands) near x =0.19 , which is attributed to the local stiffening of the Au-Au bonds when Au is in the vicinity of Fe. Other results based on mechanical and thermophysical properties reflect a similar anomaly: Phonon entropy, e.g., becomes negative below x =0.19 , suggesting a tendency for chemical unmixing, reflecting the onset of a miscibility gap in the phase diagram. Our results match fairly well with reported data wherever available.
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.
Dynamics of the diffusive DM-DE interaction – Dynamical system approach
Energy Technology Data Exchange (ETDEWEB)
Haba, Zbigniew [Institute of Theoretical Physics, University of Wroclaw, Plac Maxa Borna 9, 50-204 Wrocław (Poland); Stachowski, Aleksander; Szydłowski, Marek, E-mail: zhab@ift.uni.wroc.pl, E-mail: aleksander.stachowski@uj.edu.pl, E-mail: marek.szydlowski@uj.edu.pl [Astronomical Observatory, Jagiellonian University, Orla 171, 30-244 Krakow (Poland)
2016-07-01
We discuss dynamics of a model of an energy transfer between dark energy (DE) and dark matter (DM) . The energy transfer is determined by a non-conservation law resulting from a diffusion of dark matter in an environment of dark energy. The relativistic invariance defines the diffusion in a unique way. The system can contain baryonic matter and radiation which do not interact with the dark sector. We treat the Friedman equation and the conservation laws as a closed dynamical system. The dynamics of the model is examined using the dynamical systems methods for demonstration how solutions depend on initial conditions. We also fit the model parameters using astronomical observation: SNIa, H ( z ), BAO and Alcock-Paczynski test. We show that the model with diffuse DM-DE is consistent with the data.
MO-G-BRF-07: Anomalously Fast Diffusion of Carbon Nanotubes Carriers in 3D Tissue Model
Energy Technology Data Exchange (ETDEWEB)
Wang, Y; Bahng, J; Kotov, N [University of Michigan, Ann Arbor, MI (United States)
2014-06-15
Purpose: We aim to investigate and understand diffusion process of carbon nanotubes (CNTs) and other nanoscale particles in tissue and organs. Methods: In this research, we utilized a 3D model tissue of hepatocellular carcinoma (HCC)cultured in inverted colloidal crystal (ICC) scaffolds to compare the diffusivity of CNTs with small molecules such as Rhodamine and FITC in vitro, and further investigated the transportation of CNTs with and without targeting ligand, TGFβ1. The real-time permeation profiles of CNTs in HCC tissue model with high temporal and spatial resolution was demonstrated by using standard confocal microscopy. Quantitative analysis of the diffusion process in 3D was carried out using luminescence intensity in a series of Z-stack images obtained for different time points of the diffusion process after initial addition of CNTs or small molecules to the cell culture and the image data was analyzed by software ImageJ and Mathematica. Results: CNTs display diffusion rate in model tissues substantially faster than small molecules of the similar charge such as FITC, and the diffusion rate of CNTs are significantly enhanced with targeting ligand, TGFβ1. Conclusion: In terms of the advantages of in-vitro model, we were able to have access to measuring the rate of CNT penetration at designed conditions with variable parameters. And the findings by using this model, changed our understanding about advantages of CNTs as nanoscale drug carriers and provides design principles for making new drug carriers for both treatment and diagnostics. Additionally the fast diffusion opens the discussion of the best possible drug carriers to reach deep parts of cancerous tissues, which is often a prerequisite for successful cancer treatment. This work was supported by the Center for Photonic and Multiscale Nanomaterials funded by National Science Foundation Materials Research Science and Engineering Center program DMR 1120923. The work was also partially supported by NSF
MO-G-BRF-07: Anomalously Fast Diffusion of Carbon Nanotubes Carriers in 3D Tissue Model
International Nuclear Information System (INIS)
Wang, Y; Bahng, J; Kotov, N
2014-01-01
Purpose: We aim to investigate and understand diffusion process of carbon nanotubes (CNTs) and other nanoscale particles in tissue and organs. Methods: In this research, we utilized a 3D model tissue of hepatocellular carcinoma (HCC)cultured in inverted colloidal crystal (ICC) scaffolds to compare the diffusivity of CNTs with small molecules such as Rhodamine and FITC in vitro, and further investigated the transportation of CNTs with and without targeting ligand, TGFβ1. The real-time permeation profiles of CNTs in HCC tissue model with high temporal and spatial resolution was demonstrated by using standard confocal microscopy. Quantitative analysis of the diffusion process in 3D was carried out using luminescence intensity in a series of Z-stack images obtained for different time points of the diffusion process after initial addition of CNTs or small molecules to the cell culture and the image data was analyzed by software ImageJ and Mathematica. Results: CNTs display diffusion rate in model tissues substantially faster than small molecules of the similar charge such as FITC, and the diffusion rate of CNTs are significantly enhanced with targeting ligand, TGFβ1. Conclusion: In terms of the advantages of in-vitro model, we were able to have access to measuring the rate of CNT penetration at designed conditions with variable parameters. And the findings by using this model, changed our understanding about advantages of CNTs as nanoscale drug carriers and provides design principles for making new drug carriers for both treatment and diagnostics. Additionally the fast diffusion opens the discussion of the best possible drug carriers to reach deep parts of cancerous tissues, which is often a prerequisite for successful cancer treatment. This work was supported by the Center for Photonic and Multiscale Nanomaterials funded by National Science Foundation Materials Research Science and Engineering Center program DMR 1120923. The work was also partially supported by NSF
International Nuclear Information System (INIS)
Pigarov, Alexander
2012-01-01
This is the final report for the Research Grant DE-FG02-08ER54989 'Edge Plasma Simulations in NSTX and CTF: Synergy of Lithium Coating, Non-Diffusive Anomalous Transport and Drifts'. The UCSD group including: A.Yu. Pigarov (PI), S.I. Krasheninnikov and R.D. Smirnov, was working on modeling of the impact of lithium coatings on edge plasma parameters in NSTX with the multi-species multi-fluid code UEDGE. The work was conducted in the following main areas: (i) improvements of UEDGE model for plasma-lithium interactions, (ii) understanding the physics of low-recycling divertor regime in NSTX caused by lithium pumping, (iii) study of synergistic effects with lithium coatings and non-diffusive ballooning-like cross-field transport, (iv) simulation of experimental multi-diagnostic data on edge plasma with lithium pumping in NSTX via self-consistent modeling of D-Li-C plasma with UEDGE, and (v) working-gas balance analysis. The accomplishments in these areas are given in the corresponding subsections in Section 2. Publications and presentations made under the Grant are listed in Section 3.
Diffusion dynamics in liquid and undercooled Al-Ni alloys
Energy Technology Data Exchange (ETDEWEB)
Stueber, Sebastian
2009-10-05
This work presents data on Ni self-diffusion in binary Al-Ni alloys with high precision. For this, we combined two techniques: containerless electromagnetic levitation to position the samples, and neutron time-of-flight spectroscopy to measure the decay of the self-correlation. This combination offers new measurement ranges, especially at low temperatures, several hundreds of Kelvin below the liquidus temperature. Because without container, the primary cristallization seeds for the metallic melt are avoided. But it is also possible to measure reactive samples, and at very high temperatures at and above 2000K, as problematic reactions with the containing cask won't occur. Furthermore this technique also enables measurements at higher momentum transfer q, as one does not have to limit the q-range of the measurement to avoid Bragg peaks of the solid container material. By this time-of-flight spectroscopy on levitated metallic melts, it is possible to determine the Ni self-diffusion in these alloys directly and on an absolute scale. The dependence of the Ni self-diffusion coefficient on temperature and concentration was studied in pure Ni and binary Al-Ni alloys. In a temperature range of several hundred degrees, we always found Arrhenius-like temperature dependence of the diffusion, irrespective of possible undercooling. In the context of these measurements, we also studied the interdependence between diffusivity in the metallic melt and its quasielastic structure factor. Time-of-flight spectroscopy made it also possible to derive the dynamic partial structure factors of the binary alloy Al{sub 80}Ni{sub 20}. All this to enable a better understanding of the atomic processes in the metallic melt, especially of the undercooled melt, as an alloy is always formed out of the (undercooled) melt of its stoichiometric compounds. For this, material transport and diffusion are immensely important. The final goal would be materials design from the melt, i.e. the prediction
Diffusion dynamics in liquid and undercooled Al-Ni alloys
International Nuclear Information System (INIS)
Stueber, Sebastian
2009-01-01
This work presents data on Ni self-diffusion in binary Al-Ni alloys with high precision. For this, we combined two techniques: containerless electromagnetic levitation to position the samples, and neutron time-of-flight spectroscopy to measure the decay of the self-correlation. This combination offers new measurement ranges, especially at low temperatures, several hundreds of Kelvin below the liquidus temperature. Because without container, the primary cristallization seeds for the metallic melt are avoided. But it is also possible to measure reactive samples, and at very high temperatures at and above 2000K, as problematic reactions with the containing cask won't occur. Furthermore this technique also enables measurements at higher momentum transfer q, as one does not have to limit the q-range of the measurement to avoid Bragg peaks of the solid container material. By this time-of-flight spectroscopy on levitated metallic melts, it is possible to determine the Ni self-diffusion in these alloys directly and on an absolute scale. The dependence of the Ni self-diffusion coefficient on temperature and concentration was studied in pure Ni and binary Al-Ni alloys. In a temperature range of several hundred degrees, we always found Arrhenius-like temperature dependence of the diffusion, irrespective of possible undercooling. In the context of these measurements, we also studied the interdependence between diffusivity in the metallic melt and its quasielastic structure factor. Time-of-flight spectroscopy made it also possible to derive the dynamic partial structure factors of the binary alloy Al 80 Ni 20 . All this to enable a better understanding of the atomic processes in the metallic melt, especially of the undercooled melt, as an alloy is always formed out of the (undercooled) melt of its stoichiometric compounds. For this, material transport and diffusion are immensely important. The final goal would be materials design from the melt, i.e. the prediction of alloy
Molecular dynamics investigation of tracer diffusion in a simple liquid
International Nuclear Information System (INIS)
Ould-Kaddour, F.; Barrat, J.L.
1991-05-01
Extensive Molecular-Dynamics (MD) simulations have been carried out for a model trace-solvent system made up of 100 solvent molecules and 8 tracer molecules interacting through truncated Lennard-Jones potentials. The influence of the size ratio between solute and solvent, of their mass ratio and of the solvent viscosity on the diffusivity of a small tracer were investigated. Positive deviations from a Stokes-Einstein behaviour are observed, in qualitative agreement with experimental observations. It was also observed that as tracer and solvent become increasingly dissimilar, their respective dynamics becomes decoupled. We suggest that such decouplings can be interpreted by writing their mobility of the tracer as the sum of two terms, the first one arising from a coupling between tracer dynamics and hydrodynamics modes of the solvent, and the second one describing jump motion in a locally nearly frozen environment. (author). 17 refs, 4 figs, 6 tabs
DEFF Research Database (Denmark)
Bork, Nicolai Christian; Loukonen, Ville; Kjærgaard, Henrik Grum
2014-01-01
We present a molecular dynamics (MD) based study of the acetonitrile-hydrogen chloride molecular cluster in the gas phase, aimed at resolving the anomalous features often seen in infrared spectra of hydrogen bonded complexes. We find that the infrared spectrum obtained from the Fourier transform...... of the electric dipole moment autocorrelation function converges very slowly due to the floppy nature of the complex. Even after 55 picoseconds of simulation, significant differences in the modelled and experimental spectrum are seen, likely due to insufficient configurational sampling. Instead, we utilize the MD...... trajectory for a structural based analysis. We find that the most populated values of the N-H-Cl angle are around 162°. The global minimum energy conformation at 180.0° is essentially unpopulated. We re-model the spectrum by combining population data from the MD simulations with optimizations constraining...
Salazar, J.; Hernandez, P.; Perez, N.; Barahona, F.; Olmos, R.; Cartagena, R.; Soriano, T.; Notsu, K.; Lopez, D.
2001-12-01
San Vicente or Chichontepeque (2,180 m a.s.l.) is a composite andesitic volcano located 50 Km east of San Salvador. Its paired edifice rises from the so-called Central Graben, an extensional structure parallel to the Pacific coast, and has been inactive for the last 3000 yrs. Fumaroles (98.2°C ) and hot spring waters are present along radial faults at two localities on the northern slope of the volcano (Aguas Agrias and El Infiernillo). CO2 is the most abundant component in the dry gas (>90%) and its mean isotopic composition (δ 13C(CO2)=-2.11 ‰ and 3He/4He of 6.9 Ra) suggests a magmatic origin for the CO2. These manifestations are supposed to be linked to a 1,200 m depth 250°C reservoir with a CO2 partial pressure of 14 bar extended beneath the volcano (Aiuppa et al., 1997). In February 13, 2001, a 6.6 magnitude earthquake with epicenter about 20 Km W of San Vicente damaged and destroyed many towns and villages in the north area of the volcano causing some deceases. In addition, two seismic swarms were recorded beneath the northeastern flank of the volcano in April and May 2001. Searching for any link between the actual seismic activity and changes in the diffuse CO2 degassing at San Vicente, an NDIR instrument for continuos monitoring of the diffuse CO2 degassing was set up at Aguas Agrias in March 2001. Soil CO2 efflux and several meteorological and soil physical variables were measured in an hourly basis. Very significative pre-seismic and post-seismic relationships have been found in the observed diffuse CO2 efflux temporal variations related to the May 2001 seismic swarms. A sustained 50% increase on the average diffuse CO2 efflux was observed 8 days before the May 8, 5.1 magnitude earthquake. This pre-seismic behaviour may be considered a precursor of the May 2001 seismic swarm at San Vicente volcano. However, about a three-fold increase in the diffuse CO2 efflux was also observed after the intense seismicity recorded on May 8-9. These preliminary
Spatio-temporal diffusion of dynamic PET images
International Nuclear Information System (INIS)
Tauber, C; Chalon, S; Guilloteau, D; Stute, S; Buvat, I; Chau, M; Spiteri, P
2011-01-01
Positron emission tomography (PET) images are corrupted by noise. This is especially true in dynamic PET imaging where short frames are required to capture the peak of activity concentration after the radiotracer injection. High noise results in a possible bias in quantification, as the compartmental models used to estimate the kinetic parameters are sensitive to noise. This paper describes a new post-reconstruction filter to increase the signal-to-noise ratio in dynamic PET imaging. It consists in a spatio-temporal robust diffusion of the 4D image based on the time activity curve (TAC) in each voxel. It reduces the noise in homogeneous areas while preserving the distinct kinetics in regions of interest corresponding to different underlying physiological processes. Neither anatomical priors nor the kinetic model are required. We propose an automatic selection of the scale parameter involved in the diffusion process based on a robust statistical analysis of the distances between TACs. The method is evaluated using Monte Carlo simulations of brain activity distributions. We demonstrate the usefulness of the method and its superior performance over two other post-reconstruction spatial and temporal filters. Our simulations suggest that the proposed method can be used to significantly increase the signal-to-noise ratio in dynamic PET imaging.
DEFF Research Database (Denmark)
Lund, F. W.; Lomholt, M. A.; Solanko, L. M.
2012-01-01
to sterol trafficking from the plasma membrane. Significant photobleaching, however, limits the possibilities for in-depth analysis of sterol dynamics using DHE. Co-trafficking studies with DHE and the recently introduced fluorescent cholesterol analog BODIPY-cholesterol (BChol) suggested that the latter...
Utility of dynamic computed tomography in diffuse liver diseases
International Nuclear Information System (INIS)
Fujikawa, Koichi; Inagawa, Akira; Yokoyama, Tatsushi; Iwamoto, Toshiyuki; Katayama, Hiroshi; Mori, Masaki; Ito, Katsuhide; Katsuta, Shizutomo.
1985-01-01
We tested the diagnostic abilities of dynamic CT in diffuse liver diseases. The material includes 23 cases of chronic active hepatitis (CAH), 32 cases of liver cirrhosis (LC) and 15 cases with normal liver. For each case, time-density curve was obtained from the right lobe of the liver. To allow numerical evaluation of the curve, gamma variate fit techniques were employed. Changes in the curves were analyzed by comparing three parameters-rise time (RT), decay time (DT) and corrected first moment (MC)-derived from two coefficients of the fitting equation. Values of three parameters increased with the severity of the diseases reflecting prolonged curves with delayed peak and gradual downslope in damaged livers. MC values showed most significant correlation with the degree of the diseases. High MC value (>95) were associated with 30 cases of LC and 3 cases of CHA, and moderate MC value (70< MC<=95) with 19 cases of CAH and 2 controls, and low MC value (<=70) with 15 controls and a case of CAH. We conclude that dynamic CT time-density study with gamma variate fitting is useful in the differential diagnosis of the diffuse liver diseases. (author)
Chaotic dynamics and diffusion in a piecewise linear equation
International Nuclear Information System (INIS)
Shahrear, Pabel; Glass, Leon; Edwards, Rod
2015-01-01
Genetic interactions are often modeled by logical networks in which time is discrete and all gene activity states update simultaneously. However, there is no synchronizing clock in organisms. An alternative model assumes that the logical network is preserved and plays a key role in driving the dynamics in piecewise nonlinear differential equations. We examine dynamics in a particular 4-dimensional equation of this class. In the equation, two of the variables form a negative feedback loop that drives a second negative feedback loop. By modifying the original equations by eliminating exponential decay, we generate a modified system that is amenable to detailed analysis. In the modified system, we can determine in detail the Poincaré (return) map on a cross section to the flow. By analyzing the eigenvalues of the map for the different trajectories, we are able to show that except for a set of measure 0, the flow must necessarily have an eigenvalue greater than 1 and hence there is sensitive dependence on initial conditions. Further, there is an irregular oscillation whose amplitude is described by a diffusive process that is well-modeled by the Irwin-Hall distribution. There is a large class of other piecewise-linear networks that might be analyzed using similar methods. The analysis gives insight into possible origins of chaotic dynamics in periodically forced dynamical systems
Chaotic dynamics and diffusion in a piecewise linear equation
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.
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.
'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
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 .... Instantaneous relative displacement of the diffusing atom with respect to the neigh- bours in the diffusion ring is given as a reaction coordinate,. X =.
Energy Technology Data Exchange (ETDEWEB)
Baig, Mohammad Saad, E-mail: saad110baig@gmail.com; Chakraborty, Brahmananda; Ramaniah, Lavanya M. [High Pressure & Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-85 (India)
2016-05-23
NaF-ZrF{sub 4} is used as a waste incinerator and as a coolant in Generation IV reactors.Structural and dynamical properties of molten NaF-ZrF{sub 4} system were studied along with Onsagercoefficients and Maxwell–Stefan (MS) Diffusivities applying Green–Kubo formalism and molecular dynamics (MD) simulations. The zirconium ions are found to be 8 fold coordinated with fluoride ions for all temperatures and concentrations. All the diffusive flux correlations show back-scattering. Even though the MS diffusivities are expected to depend very lightly on the composition because of decoupling of thermodynamic factor, the diffusivity Đ{sub Na-F} shows interesting behavior with the increase in concentration of ZrF{sub 4}. This is because of network formation in NaF-ZrF{sub 4}. Positive entropy constraints have been plotted to authenticate negative diffusivities observed.
Ageing dynamics of translational and rotational diffusion in a colloidal glass
International Nuclear Information System (INIS)
Jabbari-Farouji, Sara; Eiser, Erika; Wegdam, Gerard H; Bonn, Daniel
2004-01-01
We study the dynamics of translational and rotational diffusion during the ageing of a colloidal glass of Laponite using polarized and depolarized dynamic light scattering. The dynamics are qualitatively similar between the two degrees of freedom. The short-time diffusion is independent of the time elapsed since the sample preparation. The intermediate- and long-time diffusion, on the other hand, slows down by several orders of magnitude during the ageing. The slowing down of the rotational diffusion is found to be much faster than that of the translational diffusion. (letter to the editor)
Anomalous magnetic structure and spin dynamics in magnetoelectric LiFePO_{4}
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...
Navigation by anomalous random walks on complex networks.
Weng, Tongfeng; Zhang, Jie; Khajehnejad, Moein; Small, Michael; Zheng, Rui; Hui, Pan
2016-11-23
Anomalous random walks having long-range jumps are a critical branch of dynamical processes on networks, which can model a number of search and transport processes. However, traditional measurements based on mean first passage time are not useful as they fail to characterize the cost associated with each jump. Here we introduce a new concept of mean first traverse distance (MFTD) to characterize anomalous random walks that represents the expected traverse distance taken by walkers searching from source node to target node, and we provide a procedure for calculating the MFTD between two nodes. We use Lévy walks on networks as an example, and demonstrate that the proposed approach can unravel the interplay between diffusion dynamics of Lévy walks and the underlying network structure. Moreover, applying our framework to the famous PageRank search, we show how to inform the optimality of the PageRank search. The framework for analyzing anomalous random walks on complex networks offers a useful new paradigm to understand the dynamics of anomalous diffusion processes, and provides a unified scheme to characterize search and transport processes on networks.
Navigation by anomalous random walks on complex networks
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.
Empirical molecular-dynamics study of diffusion in liquid semiconductors
Yu, W.; Wang, Z. Q.; Stroud, D.
1996-11-01
We report the results of an extensive molecular-dynamics study of diffusion in liquid Si and Ge (l-Si and l-Ge) and of impurities in l-Ge, using empirical Stillinger-Weber (SW) potentials with several choices of parameters. We use a numerical algorithm in which the three-body part of the SW potential is decomposed into products of two-body potentials, thereby permitting the study of large systems. One choice of SW parameters agrees very well with the observed l-Ge structure factors. The diffusion coefficients D(T) at melting are found to be approximately 6.4×10-5 cm2/s for l-Si, in good agreement with previous calculations, and about 4.2×10-5 and 4.6×10-5 cm2/s for two models of l-Ge. In all cases, D(T) can be fitted to an activated temperature dependence, with activation energies Ed of about 0.42 eV for l-Si, and 0.32 or 0.26 eV for two models of l-Ge, as calculated from either the Einstein relation or from a Green-Kubo-type integration of the velocity autocorrelation function. D(T) for Si impurities in l-Ge is found to be very similar to the self-diffusion coefficient of l-Ge. We briefly discuss possible reasons why the SW potentials give D(T)'s substantially lower than ab initio predictions.
Study of superionic conductors dynamics by continued diffusion model
International Nuclear Information System (INIS)
Bennai, M.
1993-12-01
The superionic conductors form a special category of solids characterized by their remarkable transport properties and are in general, Simplified as being constituted by the superposition of two inter penetrable crystal lattices. The ions of the first one form a rigid structure through which the other ions of opposite charge diffuse in quasi-liquid way. Basing on experimental and theoretical arguments, it was proved necessary to adopt a model of N-body continued diffusion which the basic theory is that of brownian movement. This thesis deals with the study of the dynamic structure factor S (q,w) and its line half width by the method of development in continued fractions issued from the Mori theory. With regard to the analytical difficulty met at the time of the static correlations functions calculation, the homogeneous approximation was applied and the notion of effective strength was introduced. So, it was obtained general relationships which give the static correlation functions, only in term of the static structure factor of liquids and effective potential. 98 refs.; 22 figs. (F.M.)
Multiscale Reaction-Diffusion Algorithms: PDE-Assisted Brownian Dynamics
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.
Dynamic phase transition in diffusion-limited reactions
International Nuclear Information System (INIS)
Tauber, U.C.
2002-01-01
Many non-equilibrium systems display dynamic phase transitions from active to absorbing states, where fluctuations cease entirely. Based on a field theory representation of the master equation, the critical behavior can be analyzed by means of the renormalization group. The resulting universality classes for single-species systems are reviewed here. Generically, the critical exponents are those of directed percolation (Reggeon field theory), with critical dimension d c = 4. Yet local particle number parity conservation in even-offspring branching and annihilating random walks implies an inactive phase (emerging below d c = 4/3) that is characterized by the power laws of the pair annihilation reaction, and leads to different critical exponents at the transition. For local processes without memory, the pair contact process with diffusion represents the only other non-trivial universality class. The consistent treatment of restricted site occupations and quenched random reaction rates are important open issues (Author)
Anomalous dynamics triggered by a non-convex equation of state in relativistic flows
Ibáñez, J. M.; Marquina, A.; Serna, S.; Aloy, M. A.
2018-05-01
The non-monotonicity of the local speed of sound in dense matter at baryon number densities much higher than the nuclear saturation density (n0 ≈ 0.16 fm-3) suggests the possible existence of a non-convex thermodynamics which will lead to a non-convex dynamics. Here, we explore the rich and complex dynamics that an equation of state (EoS) with non-convex regions in the pressure-density plane may develop as a result of genuinely relativistic effects, without a classical counterpart. To this end, we have introduced a phenomenological EoS, the parameters of which can be restricted owing to causality and thermodynamic stability constraints. This EoS can be regarded as a toy model with which we may mimic realistic (and far more complex) EoSs of practical use in the realm of relativistic hydrodynamics.
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.
Schiffer, Christian; Nielsen, Søren Bom
2016-08-01
With convergent plate boundaries at some distance, the sources of the lithospheric stress field of the North Atlantic Realm are mainly mantle tractions at the base of the lithosphere, lithospheric density structure and topography. Given this, we estimate horizontal deviatoric stresses using a well-established thin sheet model in a global finite element representation. We adjust the lithospheric thickness and the sub-lithospheric pressure iteratively, comparing modelled in plane stress with the observations of the World Stress Map. We find that an anomalous mantle pressure associated with the Iceland and Azores melt anomalies, as well as topography are able to explain the general pattern of the principle horizontal stress directions. The Iceland melt anomaly overprints the classic ridge push perpendicular to the Mid Atlantic ridge and affects the conjugate passive margins in East Greenland more than in western Scandinavia. The dynamic support of topography shows a distinct maximum of c. 1000 m in Iceland and amounts <150 m along the coast of south-western Norway and 250-350 m along the coast of East Greenland. Considering that large areas of the North Atlantic Realm have been estimated to be sub-aerial during the time of break-up, two components of dynamic topography seem to have affected the area: a short-lived, which affected a wider area along the rift system and quickly dissipated after break-up, and a more durable in the close vicinity of Iceland. This is consistent with the appearance of a buoyancy anomaly at the base of the North Atlantic lithosphere at or slightly before continental breakup, relatively fast dissipation of the fringes of this, and continued melt generation below Iceland.
Turbulent structure and dynamics of swirled, strongly pulsed jet diffusion flames
Liao, Ying-Hao; Hermanson, James C.
2013-01-01
The structure and dynamics of swirled, strongly pulsed, turbulent jet diffusion flames were examined experimentally in a co-flow swirl combustor. The dynamics of the large-scale flame structures, including variations in flame dimensions, the degree
International Nuclear Information System (INIS)
Vree, C; Mayr, S G
2010-01-01
The impact of free surfaces on the mobility and conformational fluctuations of model polymer chains is investigated with the help of classical molecular dynamics simulations over a broad temperature range. Below a critical temperature, T*, similar to the critical temperature of the mode coupling theory, the center-of-mass displacements and temporal fluctuations of the radius of gyration of individual chains-as a fingerprint of structural reconfigurations-reveal a strong enhancement close to surfaces, while this effect diminishes with increasing temperature and observation time. Interpreting conformational fluctuations as a random walk in conformational space, identical activation enthalpies for structural reconfigurations and diffusion are obtained within the error bars in the bulk and at the surfaces, thus indicating a coupling of diffusive and conformational dynamics.
International Nuclear Information System (INIS)
Kubaschewski, O.
1983-01-01
The diffusion rate values of titanium, its compounds and alloys are summarized and tabulated. The individual chemical diffusion coefficients and self-diffusion coefficients of certain isotopes are given. Experimental methods are listed which were used for the determination of diffusion coefficients. Some values have been taken over from other studies. Also given are graphs showing the temperature dependences of diffusion and changes in the diffusion coefficient with concentration changes
Moderately nonlinear diffuse-charge dynamics under an ac voltage.
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.
Moderately nonlinear diffuse-charge dynamics under an ac voltage
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.
Energy Technology Data Exchange (ETDEWEB)
Chakraborty, Brahmananda, E-mail: brahma@barc.gov.in; Ramaniah, Lavanya M. [High Pressure & Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400085 (India)
2015-06-24
Applying Green–Kubo formalism and equilibrium molecular dynamics (MD) simulations, we have studied the dynamic correlation, Onsager coeeficients and Maxwell–Stefan (MS) Diffusivities of molten salt LiF-BeF{sub 2}, which is used as coolant in high temperature reactor. All the diffusive flux correlations show back-scattering or cage dynamics which becomes pronouced at higher temperature. Although the MS diffusivities are expected to depend very lightly on the composition due to decoupling of thermodynamic factor, the diffusivity Đ{sub Li-F} and Đ{sub Be-F} decreases sharply for higher concentration of LiF and BeF{sub 2} respectively. Interestingly, all three MS diffusivities have highest magnitude for eutectic mixture at 1000K (except Đ{sub Be-F} at lower LiF mole fraction) which is desirable from coolant point of view. Although the diffusivity for positive-positive ion pair is negative it is not in violation of the second law of thermodynamics as it satisfies the non-negative entropic constraints.
Alignment dynamics of diffusive scalar gradient in a two-dimensional model flow
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.
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 the
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.
Physical and dynamical properties of the anomalous comet 249P/LINEAR
Fernández, Julio A.; Licandro, Javier; Moreno, Fernando; Sosa, Andrea; Cabrera-Lavers, Antonio; de León, Julia; Birtwhistle, Peter
2017-10-01
Images and low-resolution spectra of the near-Earth Jupiter family comet (JFC) 249P/LINEAR in the visible range obtained with the instrument OSIRIS in the 10.4 m Gran Telescopio Canarias (GTC) (La Palma, Spain) on January 3, 4, 6 and February 6, 2016 are presented, together with a series of images obtained with the 0.4m telescope of the Great Shefford Observatory obtained on Oct. 22 and 27, and Nov. 1 and 24, 2006. The reflectance spectrum of 249P is similar to that of a B-type asteroid. The comet has an absolute (visual) nuclear magnitude HV = 17.0 ± 0.4 , which corresponds to a radius of about 1-1.3 km for a geometric albedo ∼ 0.04 - 0.07 . From the analysis of GTC images using a Monte Carlo dust tail code we find that the time of maximum dust ejection rate was around 1.6 days before perihelion. The analysis of the dust tails during the 2006 and 2016 perihelion approaches reveals that, during both epochs, the comet repeated the same dust ejection pattern, with a similar short-lived activity period of about 20 days (FWHM) around perihelion and a dust loss rate peaking at 145 ± 50 kg/s. The total dust mass ejected during its last perihelion passage was (2.5 ± 0.9) × 108 kg, almost all this mass being emitted before the first observation of January 3, 2016. The activity onset, duration, and total ejected mass were very similar during the 2006 perihelion passage. This amount of dust mass is very low as compared with that from other active JFCs. The past orbital evolution of 249P and 100 clones were also followed over a time scale of ∼ 5 × 104 yr. The object and more than 60% of the clones remained bound to the near-Earth region for the whole computed period, keeping its perihelion distance within the range q ≃ 0.4 - 1.1 au. The combination of photometric and spectroscopic observations and dynamical studies show that the near-Earth comet 249P/LINEAR has several peculiar features that clearly differentiate it from typical JFCs. We may be in front of a new
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 NO_{2} 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, NO_{2} 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 NO_{2} from NO. Additionally, GMI NO_{x} (NO + NO_{2} and N_{2}O fields suggest that downward transport along the vortex edge and horizontal transport from lower latitudes also contributed to the enhanced NO_{2}. The anticyclone that transported lower-latitude NO_{x} above PEARL became frozen-in and persisted in dynamical and GMI N_{2}O 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 NO_{x}. Below the FrIAC (from the tropopause to 700 K, NO_{x} 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
The dynamics of multimodal integration: The averaging diffusion model.
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.
International Nuclear Information System (INIS)
Gražulevičiūtė, I; Garejev, N; Majus, D; Tamošauskas, G; A Dubietis; Jukna, V
2016-01-01
We present a series of measurements, which characterize filamentation dynamics of intense ultrashort laser pulses in the space–time domain, as captured by means of three-dimensional imaging technique in sapphire and fused silica, in the wavelength range of 1.45–2.25 μm, accessing the regimes of weak, moderate and strong anomalous group velocity dispersion (GVD). In the regime of weak anomalous GVD (at 1.45 μm), pulse splitting into two sub-pulses producing a pair of light bullets with spectrally shifted carrier frequencies in both nonlinear media is observed. In contrast, in the regimes of moderate (at 1.8 μm) and strong (at 2.25 μm) anomalous GVD we observe notably different transient dynamics, which however lead to the formation of a single self-compressed quasistationary light bullet with an universal spatiotemporal shape comprised of an extended ring-shaped periphery and a localized intense core that carries the self-compressed pulse. (paper)
Gražulevičiūtė, I.; Garejev, N.; Majus, D.; Jukna, V.; Tamošauskas, G.; Dubietis, A.
2016-02-01
We present a series of measurements, which characterize filamentation dynamics of intense ultrashort laser pulses in the space-time domain, as captured by means of three-dimensional imaging technique in sapphire and fused silica, in the wavelength range of 1.45-2.25 μm, accessing the regimes of weak, moderate and strong anomalous group velocity dispersion (GVD). In the regime of weak anomalous GVD (at 1.45 μm), pulse splitting into two sub-pulses producing a pair of light bullets with spectrally shifted carrier frequencies in both nonlinear media is observed. In contrast, in the regimes of moderate (at 1.8 μm) and strong (at 2.25 μm) anomalous GVD we observe notably different transient dynamics, which however lead to the formation of a single self-compressed quasistationary light bullet with an universal spatiotemporal shape comprised of an extended ring-shaped periphery and a localized intense core that carries the self-compressed pulse.
Two dimensional finite element modelling for dynamic water diffusion through stratum corneum.
Xiao, Perry; Imhof, Robert E
2012-10-01
Solvents penetration through in vivo human stratum corneum (SC) has always been an interesting research area for trans-dermal drug delivery studies, and the importance of intercellular routes (diffuse in between corneocytes) and transcellular routes (diffuse through corneocytes) during diffusion is often debatable. In this paper, we have developed a two dimensional finite element model to simulate the dynamic water diffusion through the SC. It is based on the brick-and-mortar model, with brick represents corneocytes and mortar represents lipids, respectively. It simulates the dynamic water diffusion process through the SC from pre-defined initial conditions and boundary conditions. Although the simulation is based on water diffusions, the principles can also be applied to the diffusions of other topical applied substances. The simulation results show that both intercellular routes and transcellular routes are important for water diffusion. Although intercellular routes have higher flux rates, most of the water still diffuse through transcellular routes because of the high cross area ratio of corneocytes and lipids. The diffusion water flux, or trans-epidermal water loss (TEWL), is reversely proportional to corneocyte size, i.e. the larger the corneocyte size, the lower the TEWL, and vice versa. There is also an effect of the SC thickness, external air conditions and diffusion coefficients on the water diffusion through SC on the resulting TEWL. Copyright © 2012 Elsevier B.V. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Hsu, Po Jen; Lai, S. K., E-mail: sklai@coll.phy.ncu.edu.tw [Complex Liquids Laboratory, Department of Physics, National Central University, Chungli 320, Taiwan and Molecular Science and Technology Program, Taiwan International Graduate Program, Academia Sinica, Taipei 115, Taiwan (China); Rapallo, Arnaldo [Istituto per lo Studio delle Macromolecole (ISMAC) Consiglio Nazionale delle Ricerche (CNR), via E. Bassini 15, C.A.P 20133 Milano (Italy)
2014-03-14
Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit
International Nuclear Information System (INIS)
Hsu, Po Jen; Lai, S. K.; Rapallo, Arnaldo
2014-01-01
Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit
Friction and diffusion dynamics of adsorbates at surfaces
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
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)
Gas dynamic analysis of the performance of diffuser augmented ...
Indian Academy of Sciences (India)
A diffuser augmented wind turbine (DAWT) is considered an ... Maximum power rating ± for a given blade technology ± can be extended substantially by ... twist angles in addition to design parameters such as tip speed ratio with minimum ...
Molecular dynamics simulation of diffusion bonding of Al–Cu interface
International Nuclear Information System (INIS)
Li, Chang; Li, Dongxu; Tao, Xiaoma; Chen, Hongmei; Ouyang, Yifang
2014-01-01
The effects of temperature on diffusion bonding of Al–Cu interface have been investigated by using molecular dynamics (MD) technique with the embedded atomic method (EAM) potentials. The simulated results indicate that the Cu atoms predominantly diffuse into the Al side in the process of diffusion bonding, and the thickness of the interfacial region depends on temperature, with higher temperatures resulting in larger thickness. In the course of diffusion bonding, the interfacial region became disordered. In addition, the Cu atoms diffuse at low ratios but can deeply diffuse into the interior of Al, and the Al atoms diffuse at high ratios but hardly diffuse into the interior of Cu. The results show that the appropriate temperature range for diffusion bonding of Al–Cu interface is 750–800 K, and the diffusion activation energies of Al and Cu are 0.77 eV and 0.50 eV, respectively. Finally, in this work, three diffusion mechanisms of Cu atoms in Al lattice have been found and the main diffusion mechanism is the nearest neighbor hopping mechanism. (paper)
Mechanical properties of dynamic diffusion bonded joints in a mild alloy steel
International Nuclear Information System (INIS)
Gomez de Salazar, J. M.; Urena, A.; Menendez, M.
2001-01-01
Mechanical properties in Dynamic Diffusion Bonded (DDB) in a A.S.T.M. 1045 steel (=.45%C) joints were studied. The thermomechanical cycle added to the process, favours both the initial deformation stage and probably the diffusion mechanisms which participate in bond formation. (Author) 11 refs
Maxwell–Stefan diffusion and dynamical correlation in molten LiF-KF: A molecular dynamics study
Energy Technology Data Exchange (ETDEWEB)
Jain, Richa Naja, E-mail: ltprichanaja@gmail.com; Chakraborty, Brahmananda; Ramaniah, Lavanya M. [High Pressure & Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-85 (India)
2016-05-23
In this work our main objective is to compute Dynamical correlations, Onsager coefficients and Maxwell-Stefan (MS) diffusivities for molten salt LiF-KF mixture at various thermodynamic states through Green–Kubo formalism for the first time. The equilibrium molecular dynamics (MD) simulations were performed using BHM potential for LiF–KF mixture. The velocity autocorrelations functions involving Li ions reflect the endurance of cage dynamics or backscattering with temperature. The magnitude of Onsager coefficients for all pairs increases with increase in temperature. Interestingly most of the Onsager coefficients has almost maximum magnitude at the eutectic composition indicating the most dynamic character of the eutectic mixture. MS diffusivity hence diffusion for all ion pairs increases in the system with increasing temperature. Smooth variation of the diffusivity values denies any network formation in the mixture. Also, the striking feature is the noticeable concentration dependence of MS diffusivity between cation-cation pair, Đ{sub Li-K} which remains negative for most of the concentration range but changes sign to become positive for higher LiF concentration. The negative MS diffusivity is acceptable as it satisfies the non-negative entropy constraint governed by 2{sup nd} law of thermodynamics. This high diffusivity also vouches the candidature of molten salt as a coolant.
Spatiotemporal chaos in the dynamics of buoyantly and diffusively unstable chemical fronts
Baroni, M. P. M. A.; Guéron, E.; De Wit, A.
2012-03-01
Nonlinear dynamics resulting from the interplay between diffusive and buoyancy-driven Rayleigh-Taylor (RT) instabilities of autocatalytic traveling fronts are analyzed numerically for various values of the relevant parameters. These are the Rayleigh numbers of the reactant A and autocatalytic product B solutions as well as the ratio D =DB/DA between the diffusion coefficients of the two key chemical species. The interplay between the coarsening dynamics characteristic of the RT instability and the constant short wavelength modulation of the diffusive instability can lead in some regimes to complex dynamics dominated by irregular succession of birth and death of fingers. By using spectral entropy measurements, we characterize the transition between order and spatial disorder in this system. The analysis of the power spectrum and autocorrelation function, moreover, identifies similarities between the various spatial patterns. The contribution of the diffusive instability to the complex dynamics is discussed.
Energy Technology Data Exchange (ETDEWEB)
Saylor, David M.; Jawahery, Sudi; Silverstein, Joshua S.; Forrey, Christopher [Center for Devices and Radiological Health, FDA, Silver Spring, Maryland 20993 (United States)
2016-07-21
We investigate the link between dynamic localization, characterized by the Debye–Waller factor, 〈u{sup 2}〉, and solute self-diffusivity, D, in a polymer system using atomistic molecular dynamics simulations and vapor sorption experiments. We find a linear relationship between lnD and 1/〈u{sup 2}〉 over more than four decades of D, encompassing most of the glass formation regime. The observed linearity is consistent with the Langevin dynamics in a periodically varying potential field and may offer a means to rapidly assess diffusion based on the characterization of dynamic localization.
LETTER TO THE EDITOR: Fractal diffusion coefficient from dynamical zeta functions
Cristadoro, Giampaolo
2006-03-01
Dynamical zeta functions provide a powerful method to analyse low-dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand, even simple one-dimensional maps can show an intricate structure of the grammar rules that may lead to a non-smooth dependence of global observables on parameters changes. A paradigmatic example is the fractal diffusion coefficient arising in a simple piecewise linear one-dimensional map of the real line. Using the Baladi-Ruelle generalization of the Milnor-Thurnston kneading determinant, we provide the exact dynamical zeta function for such a map and compute the diffusion coefficient from its smallest zero.
Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals.
Plimpton, Steven James
Diffusion is a microscopic mass transport mechanism that underlies many important macroscopic phenomena affecting the structural, electrical, and mechanical properties of metals. This thesis presents results from atomistic simulation studies of diffusion both in bulk and in the fast diffusion paths known as grain boundaries. Using the principles of molecular dynamics single boundaries are studied and their structure and dynamic properties characterized. In particular, tilt boundary bicrystal and bulk models of fcc Al and bcc alpha-Fe are simulated. Diffusion coefficients and activation energies for atomic motion are calculated for both models and compared to experimental data. The influence of the interatomic pair potential on the diffusion is studied in detail. A universal relation between the melting temperature that a pair potential induces in a simulated bulk model and the potential energy barrier height for atomic hopping is derived and used to correlate results for a wide variety of pair potentials. Using these techniques grain boundary and bulk diffusion coefficients for any fcc material can be estimated from simple static calculations without the need to perform more time-consuming dynamic simulations. The influences of two other factors on grain boundary diffusion are also studied because of the interest of the microelectronics industry in the diffusion related reliability problem known as electromigration. The first factor, known to affect the self diffusion rate of Al, is the presence of Cu impurity atoms in Al tilt boundaries. The bicrystal model for Al is seeded randomly with Cu atoms and a simple hybrid Morse potential used to model the Al-Cu interaction. While some effect due to the Cu is noted, it is concluded that pair potentials are likely an inadequate approximation for the alloy system. The second factor studied is the effect of the boundary orientation angle on the diffusion rate. Symmetric bcc Fe boundaries are relaxed to find optimal
Diffusion in energy materials: Governing dynamics from atomistic modelling
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.
Dynamics of information diffusion and its applications on complex networks
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.
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
Krekelberg, William P; Siderius, Daniel W; Shen, Vincent K; Truskett, Thomas M; Errington, Jeffrey R
2017-12-12
Using molecular simulations, we investigate the relationship between the pore-averaged and position-dependent self-diffusivity of a fluid adsorbed in a strongly attractive pore as a function of loading. Previous work (Krekelberg, W. P.; Siderius, D. W.; Shen, V. K.; Truskett, T. M.; Errington, J. R. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores. Langmuir 2013, 29, 14527-14535, doi: 10.1021/la4037327) established that pore-averaged self-diffusivity in the multilayer adsorption regime, where the fluid exhibits a dense film at the pore surface and a lower density interior pore region, is nearly constant as a function of loading. Here we show that this puzzling behavior can be understood in terms of how loading affects the fraction of particles that reside in the film and interior pore regions as well as their distinct dynamics. Specifically, the insensitivity of pore-averaged diffusivity to loading arises from the approximate cancellation of two factors: an increase in the fraction of particles in the higher diffusivity interior pore region with loading and a corresponding decrease in the particle diffusivity in that region. We also find that the position-dependent self-diffusivities scale with the position-dependent density. We present a model for predicting the pore-average self-diffusivity based on the position-dependent self-diffusivity, which captures the unusual characteristics of pore-averaged self-diffusivity in strongly attractive pores over several orders of magnitude.
Global dynamics of a nonlocal delayed reaction-diffusion equation on a half plane
Hu, Wenjie; Duan, Yueliang
2018-04-01
We consider a delayed reaction-diffusion equation with spatial nonlocality on a half plane that describes population dynamics of a two-stage species living in a semi-infinite environment. A Neumann boundary condition is imposed accounting for an isolated domain. To describe the global dynamics, we first establish some a priori estimate for nontrivial solutions after investigating asymptotic properties of the nonlocal delayed effect and the diffusion operator, which enables us to show the permanence of the equation with respect to the compact open topology. We then employ standard dynamical system arguments to establish the global attractivity of the nontrivial equilibrium. The main results are illustrated by the diffusive Nicholson's blowfly equation and the diffusive Mackey-Glass equation.
A grain-boundary diffusion model of dynamic grain growth during superplastic deformation
International Nuclear Information System (INIS)
Kim, Byung-Nam; Hiraga, Keijiro; Sakka, Yoshio; Ahn, Byung-Wook
1999-01-01
Dynamic grain growth during superplastic deformation is modelled on the basis of a grain-boundary diffusion mechanism. On the grain boundary where a static and a dynamic potential difference coexist, matter transport along the boundary is assumed to contribute to dynamic grain growth through depositing the matter on the grain surface located opposite to the direction of grain-boundary migration. The amount of the diffusive matter during deformation is calculated for an aggregate of spherical grains and is converted to the increment of mean boundary migration velocity. The obtained relationship between the strain rate and the dynamic grain growth rate is shown to be independent of deformation mechanisms, provided that the grain growth is controlled by grain-boundary diffusion. The strain dependence, strain-rate dependence and temperature dependence of grain growth predicted from this model are consistent with those observed in superplastic ZrO 2 -dispersed Al 2 O 3
Diffusion in crowded biological environments: applications of Brownian dynamics
Długosz, Maciej; Trylska, Joanna
2011-01-01
Biochemical reactions in living systems occur in complex, heterogeneous media with total concentrations of macromolecules in the range of 50 - 400 mg/ml. Molecular species occupy a significant fraction of the immersing medium, up to 40% of volume. Such complex and volume-occupied environments are generally termed 'crowded' and/or 'confined'. In crowded conditions non-specific interactions between macromolecules may hinder diffusion - a major process determining metabolism, transport, and sign...
Dynamics diffusion behaviors of Pd small clusters on a Pd(1 1 1) surface
International Nuclear Information System (INIS)
Liu, Fusheng; Hu, Wangyu; Deng, Huiqiu; He, Rensheng; Yang, Xiyuan; Lu, Kuilin; Deng, Lei; Luo, Wenhua
2010-01-01
Using molecular dynamics, nudged elastic band and modified analytic embedded atom methods, the self-diffusion dynamics properties of palladium atomic clusters up to seven atoms on the Pd (1 1 1) surface have been studied at temperatures ranging from 300 to 1000 K. The simulation time varies from 20 to 75 ns according to the cluster sizes and the temperature ranges. The heptamer and trimer are more stable than the other neighboring clusters. The diffusion coefficients of the clusters are derived from the mean square displacement of the cluster's mass-center, and the diffusion prefactors D 0 and activation energies E a are derived from the Arrhenius relation. The activation energy of the clusters increases with the increasing atom number in the clusters, especially for Pd 6 to Pd 7 . The analysis of trajectories shows the noncompact clusters diffuse by the local diffusion mechanism but the compact clusters diffuse mainly by the whole gliding mechanism, and some static energy barriers of the diffusion modes are calculated. From Pd 2 to Pd 6 , the prefactors are in the range of the standard value 10 −3 cm 2 s −1 , and the prefactor of Pd 7 cluster is 2 orders of magnitude greater than that of the single Pd adatom because of a large number of nonequivalent diffusion processes. The heptamer can be the nucleus in the room temperature range according to nucleation theory
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.
Two competing species in super-diffusive dynamical regimes
La Cognata, A.; Valenti, D.; Spagnolo, B.; Dubkov, A. A.
2010-09-01
The dynamics of two competing species within the framework of the generalized Lotka-Volterra equations, in the presence of multiplicative α-stable Lévy noise sources and a random time dependent interaction parameter, is studied. The species dynamics is characterized by two different dynamical regimes, exclusion of one species and coexistence of both, depending on the values of the interaction parameter, which obeys a Langevin equation with a periodically fluctuating bistable potential and an additive α-stable Lévy noise. The stochastic resonance phenomenon is analyzed for noise sources asymmetrically distributed. Finally, the effects of statistical dependence between multiplicative noise and additive noise on the dynamics of the two species are studied.
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.
Dissipative particle dynamics of diffusion-NMR requires high Schmidt-numbers
Energy Technology Data Exchange (ETDEWEB)
Azhar, Mueed; Greiner, Andreas [Laboratory for Simulation, Department of Microsystems Engineering (IMTEK), University of Freiburg, Georges-Köhler-Allee 103, 79110 Freiburg (Germany); Korvink, Jan G., E-mail: jan.korvink@kit.edu, E-mail: david.kauzlaric@imtek.uni-freiburg.de [Laboratory for Simulation, Department of Microsystems Engineering (IMTEK), University of Freiburg, Georges-Köhler-Allee 103, 79110 Freiburg (Germany); Department of Microstructure Technology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, Eggenstein-Leopoldshafen (Germany); Kauzlarić, David, E-mail: jan.korvink@kit.edu, E-mail: david.kauzlaric@imtek.uni-freiburg.de [Laboratory for Simulation, Department of Microsystems Engineering (IMTEK), University of Freiburg, Georges-Köhler-Allee 103, 79110 Freiburg (Germany); Freiburg Institute for Advanced Studies, University of Freiburg, Albertstr. 19, 79104 Freiburg (Germany)
2016-06-28
We present an efficient mesoscale model to simulate the diffusion measurement with nuclear magnetic resonance (NMR). On the level of mesoscopic thermal motion of fluid particles, we couple the Bloch equations with dissipative particle dynamics (DPD). Thereby we establish a physically consistent scaling relation between the diffusion constant measured for DPD-particles and the diffusion constant of a real fluid. The latter is based on a splitting into a centre-of-mass contribution represented by DPD, and an internal contribution which is not resolved in the DPD-level of description. As a consequence, simulating the centre-of-mass contribution with DPD requires high Schmidt numbers. After a verification for fundamental pulse sequences, we apply the NMR-DPD method to NMR diffusion measurements of anisotropic fluids, and of fluids restricted by walls of microfluidic channels. For the latter, the free diffusion and the localisation regime are considered.
Krishna, R.; van Baten, J.M.
2011-01-01
Molecular Dynamics (MD) simulations were carried out to determine the self-diffusivitiy, Di,self, the Maxwell-Stefan diffusivity, Ði, and the Fick diffusivity, Di, for methane (C1), ethane (C2), propane (C3), n-butane (nC4), n-pentane (nC5), n-hexane (nC6), n-heptane (nC7), and cyclohexane (cC6) in
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.
Stochastic modeling and simulation of reaction-diffusion system with Hill function dynamics.
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.
Diffuse-charge dynamics of ionic liquids in electrochemical systems.
Zhao, Hui
2011-11-01
We employ a continuum theory of solvent-free ionic liquids accounting for both short-range electrostatic correlations and steric effects (finite ion size) [Bazant et al., Phys. Rev. Lett. 106, 046102 (2011)] to study the response of a model microelectrochemical cell to a step voltage. The model problem consists of a 1-1 symmetric ionic liquid between two parallel blocking electrodes, neglecting any transverse transport phenomena. Matched asymptotic expansions in the limit of thin double layers are applied to analyze the resulting one-dimensional equations and study the overall charge-time relation in the weakly nonlinear regime. One important conclusion is that our simple scaling analysis suggests that the length scale √(λ*(D)l*(c)) accurately characterizes the double-layer structure of ionic liquids with strong electrostatic correlations where l*(c) is the electrostatic correlation length (in contrast, the Debye screening length λ*(D) is the primary double-layer length for electrolytes) and the response time of λ(D)(*3/2)L*/(D*l(c)(1/2)) (not λ*(D)L*/D* that is the primary charging time of electrolytes) is the correct charging time scale of ionic liquids with strong electrostatic correlations where D* is the diffusivity and L* is the separation length of the cell. With these two new scales, data of both electric potential versus distance from the electrode and the total diffuse charge versus time collapse onto each individual master curve in the presence of strong electrostatic correlations. In addition, the dependance of the total diffuse charge on steric effects, short-range correlations, and driving voltages is thoroughly examined. The results from the asymptotic analysis are compared favorably with those from full numerical simulations. Finally, the absorption of excess salt by the double layer creates a depletion region outside the double layer. Such salt depletion may bring a correction to the leading order terms and break down the weakly nonlinear
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.
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.
Chaotic dynamics of large-scale double-diffusive convection in a porous medium
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.
The Dynamics of Controlled Flow Separation within a Diverter Duct Diffuser
Peterson, C. J.; Vukasinovic, B.; Glezer, A.
2016-11-01
The evolution and receptivity to fluidic actuation of the flow separation within a rectangular, constant-width, diffuser that is branched off of a primary channel is investigated experimentally at speeds up to M = 0.4. The coupling between the diffuser's adverse pressure gradient and the internal separation that constricts nearly half of the flow passage through the duct is controlled using a spanwise array of fluidic actuators on the surface upstream of the diffuser's inlet plane. The dynamics of the separating surface vorticity layer in the absence and presence of actuation are investigated using high-speed particle image velocimetry combined with surface pressure measurements and total pressure distributions at the primary channel's exit plane. It is shown that the actuation significantly alters the incipient dynamics of the separating vorticity layer as the characteristic cross stream scales of the boundary layer upstream of separation and of the ensuing vorticity concentrations within the separated flow increase progressively with actuation level. It is argued that the dissipative (high frequency) actuation alters the balance between large- and small-scale motions near separation by intensifying the large-scale motions and limiting the small-scale dynamics. Controlling separation within the diffuser duct also has a profound effect on the global flow. In the presence of actuation, the mass flow rate in the primary duct increases 10% while the fraction of the diverted mass flow rate in the diffuser increases by more than 45% at 0.7% actuation mass fraction. Supported by the Boeing Company.
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.
Molecular dynamics on diffusive time scales from the phase-field-crystal equation.
Chan, Pak Yuen; Goldenfeld, Nigel; Dantzig, Jon
2009-03-01
We extend the phase-field-crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of them. By solving the dynamical equation of the model, which is a partial differential equation, we are essentially performing molecular dynamics simulations on diffusive time scales. To illustrate this approach, we calculate the two-point correlation function of a fluid.
Ogieglo, Wojciech; Wormeester, Herbert; Wessling, Matthias; Benes, Nieck Edwin
2013-01-01
In situ time-resolved spectroscopic ellipsometry is used to study the dynamics of n-hexane diffusion into, and the corresponding induced swelling of, ultra-thin polystyrene films. The experimental conditions are carefully selected to facilitate the observation of anomalous Case II diffusion in the
Carbon diffusion in molten uranium: an ab initio molecular dynamics study
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.
Nikonov, Eduard G.; Pavluš, Miron; Popovičová, Mária
2018-02-01
One of the varieties of pores, often found in natural or artificial building materials, are the so-called blind pores of dead-end or saccate type. Three-dimensional model of such kind of pore has been developed in this work. This model has been used for simulation of water vapor interaction with individual pore by molecular dynamics in combination with the diffusion equation method. Special investigations have been done to find dependencies between thermostats implementations and conservation of thermodynamic and statistical values of water vapor - pore system. The two types of evolution of water - pore system have been investigated: drying and wetting of the pore. Full research of diffusion coefficient, diffusion velocity and other diffusion parameters has been made.
Dense fluid self-diffusion coefficient calculations using perturbation theory and molecular dynamics
Directory of Open Access Journals (Sweden)
COELHO L. A. F.
1999-01-01
Full Text Available A procedure to correlate self-diffusion coefficients in dense fluids by using the perturbation theory (WCA coupled with the smooth-hard-sphere theory is presented and tested against molecular simulations and experimental data. This simple algebraic expression correlates well the self-diffusion coefficients of carbon dioxide, ethane, propane, ethylene, and sulfur hexafluoride. We have also performed canonical ensemble molecular dynamics simulations by using the Hoover-Nosé thermostat and the mean-square displacement formula to compute self-diffusion coefficients for the reference WCA intermolecular potential. The good agreement obtained from both methods, when compared with experimental data, suggests that the smooth-effective-sphere theory is a useful procedure to correlate diffusivity of pure substances.
Diffusion constant in hot and dense hadronic matter. A hadro-molecular-dynamic calculation
International Nuclear Information System (INIS)
Sasaki, N.; Miyamura, O.; Muroya, S.; Nonaka, C.
2002-01-01
We evaluate baryon/charge diffusion constant of dense and hot hadronic matter based on the molecular dynamical method by using a hadronic collision generator which describes nuclear collisions at energies 10 1-2 GeV/A and satisfies detailed balance at low temperatures (T ≤ 200 MeV). For the hot and dense hadronic matter of the temperature range, T = 100 - 200 MeV and baryon number density, n B =0.16 fm -3 - 0.32 fm -3 , charge diffusion constant D gradually increases from 0.5 fmc to 2 fmc with temperature and is almost independent of baryon number density. Based on the obtained diffusion constant we make simple discussions on the diffusion of charge fluctuation in ultrarelativistic nuclear collisions. (author)
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.
Molecular dynamics simulation of helium and oxygen diffusion in UO2±x
International Nuclear Information System (INIS)
Govers, K.; Lemehov, S.; Hou, M.; Verwerft, M.
2009-01-01
Atomic scale simulation techniques based on empirical potentials have been considered in the present work to get insight on helium diffusion in uranium dioxide. By varying the stoichiometry, together with the system temperature, the performed molecular dynamics simulations indicate two diffusion regimes for He. The first one presents a low activation energy (0.5 eV) and suggests oxygen vacancies assisted migration. This regime seems to provide the major contribution to diffusion when structural defects are present (extrinsic defects, imposed, e.g. by the stoichiometry). The second regime presents a higher activation energy, around 2 eV, and dominates in the higher temperature range or at perfect stoichiometry, suggesting an intrinsic migration process. Considering the dependence of He behaviour with oxygen defects, oxygen diffusion has been considered as well in the different stoichiometry domains. Finally, further investigations were made with nudged elastic bands calculations for a better interpretation of the operating migration mechanisms, both for He and O.
New sensitive micro-measurements of dynamic surface tension and diffusion coefficients
DEFF Research Database (Denmark)
Kinoshita, Koji; Ortiz, Elisa Parra; Needham, David
2017-01-01
Currently available dynamic surface tension (DST) measurement methods, such as Wilhelmy plate, droplet- or bubble-based methods, still have various experimental limitations such as the large size of the interface, convection in the solution, or a certain “dead time” at initial measurement....... These limitations create inconsistencies for the kinetic analysis of surfactant adsorption/desorption, especially significant for ionic surfactants. Here, the “micropipette interfacial area-expansion method” was introduced and validated as a new DST measurement having a high enough sensitivity to detect diffusion...... for surface excess concentration. We found that the measured diffusion coefficient of 1-Octanol, 7.2 ± 0.8 × 10−6 cm2/s, showed excellent agreement with the result from an alternative method, “single microdroplet catching method”, to measure the diffusion coefficient from diffusion-controlled microdroplet...
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.
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
Calculation of the mutual diffusion coefficient by equilibrium and nonequilibrium molecular dynamics
International Nuclear Information System (INIS)
Erpenbeck, J.J.; Kincaid, J.M.
1986-01-01
A nonequilibrium molecular dynamics method for the calculation of the mutual diffusion coefficient for a mixture of hard spheres is described. The method is applied to a 50-50 mixture of equidiameter particles having a mass ratio of 0.1 for the two species, at a volume of three times close-packing. By extrapolating the results to the limit of vanishing concentration gradient and infinite system size, we obtain a value in statistical agreement with the result obtained using a Green-Kubo molecular dynamics procedure, which is also described. The nonequilibrium calculation yields a mutual diffusion coefficient which decreases slightly with increasing concentration gradient. The Green-Kubo timecorrelation function for mutual diffusion displays a slow decay with time, qualitatively similar to the long-time tail which has been predicted by the hydrodynamic theory of Pomeau
Interaction dynamics of two diffusing particles: contact times and influence of nearby surfaces.
Tränkle, B; Ruh, D; Rohrbach, A
2016-03-14
Interactions of diffusing particles are governed by hydrodynamics on different length and timescales. The local hydrodynamics can be influenced substantially by simple interfaces. Here, we investigate the interaction dynamics of two micron-sized spheres close to plane interfaces to mimic more complex biological systems or microfluidic environments. Using scanned line optical tweezers and fast 3D interferometric particle tracking, we are able to track the motion of each bead with precisions of a few nanometers and at a rate of 10 kilohertz. From the recorded trajectories, all spatial and temporal information is accessible. This way, we measure diffusion coefficients for two coupling particles at varying distances h to one or two glass interfaces. We analyze their coupling strength and length by cross-correlation analysis relative to h and find a significant decrease in the coupling length when a second particle diffuses nearby. By analysing the times the particles are in close contact, we find that the influence of nearby surfaces and interaction potentials reduce the diffusivity strongly, although we found that the diffusivity hardly affects the contact times and the binding probability between the particles. All experimental results are compared to a theoretical model, which is based on the number of possible diffusion paths following the Catalan numbers and a diffusion probability, which is biased by the spheres' surface potential. The theoretical and experimental results agree very well and therefore enable a better understanding of hydrodynamically coupled interaction processes.
Molecular dynamics simulation of metallic impurity diffusion in liquid lead-bismuth eutectic (LBE)
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.
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,
Soft tissue deformation modelling through neural dynamics-based reaction-diffusion mechanics.
Zhang, Jinao; Zhong, Yongmin; Gu, Chengfan
2018-05-30
Soft tissue deformation modelling forms the basis of development of surgical simulation, surgical planning and robotic-assisted minimally invasive surgery. This paper presents a new methodology for modelling of soft tissue deformation based on reaction-diffusion mechanics via neural dynamics. The potential energy stored in soft tissues due to a mechanical load to deform tissues away from their rest state is treated as the equivalent transmembrane potential energy, and it is distributed in the tissue masses in the manner of reaction-diffusion propagation of nonlinear electrical waves. The reaction-diffusion propagation of mechanical potential energy and nonrigid mechanics of motion are combined to model soft tissue deformation and its dynamics, both of which are further formulated as the dynamics of cellular neural networks to achieve real-time computational performance. The proposed methodology is implemented with a haptic device for interactive soft tissue deformation with force feedback. Experimental results demonstrate that the proposed methodology exhibits nonlinear force-displacement relationship for nonlinear soft tissue deformation. Homogeneous, anisotropic and heterogeneous soft tissue material properties can be modelled through the inherent physical properties of mass points. Graphical abstract Soft tissue deformation modelling with haptic feedback via neural dynamics-based reaction-diffusion mechanics.
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.
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.
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
Molecular dynamics simulations of adsorption and diffusion of Xe on bare and Xe covered Pt(111)
Jong, de F.; Jansen, A.P.J.
1994-01-01
Molecular dynamics simulations are used to calculate adsorption probabilities and diffusion coefficients of Xe on Pt(111) and Xe/Pt(111). Experimental trends are reproduced. The adsorption mechanism is found to be the modified Kisliuk model, with the addition of direct and indirect insertion in the
Role of depletion on the dynamics of a diffusing forager
International Nuclear Information System (INIS)
Bénichou, O; Chupeau, M; Redner, S
2016-01-01
We study the dynamics of a starving random walk in general spatial dimension d . This model represents an idealized description for the fate of an unaware forager whose motion is not affected by the presence or absence of resources. The forager depletes its environment by consuming resources and dies if it wanders too long without finding food. In the exactly solvable case of one dimension, we explicitly derive the average lifetime of the walk and the distribution for the number of distinct sites visited by the walk at the instant of starvation. We also give a heuristic derivation for the averages of these two quantities. We tackle the complex but ecologically relevant case of two dimensions by an approximation in which the depleted zone is assumed to always be circular and which grows incrementally each time the walk reaches the edge of this zone. Within this framework, we derive a lower bound for the scaling of the average lifetime and number of distinct sites visited at starvation. We also determine the asymptotic distribution of the number of distinct sites visited at starvation. Finally, we solve the case of high spatial dimensions within a mean-field approach. (paper)
Energy Technology Data Exchange (ETDEWEB)
Fowler, T. K.; Guest, G. E. [Oak Ridge National Laboratory, Oak Ridge, TN (United States)
1966-04-15
We discuss radial plasma transport in magnetic wells (magnetic gradient dB/dr > 0) with particular attention to low frequency instabilities not stabilized by the positive gradient ({omega} ' {omega}{sub ci}, k{rho} ' 1). We take {beta} small. The unperturbed plasma departs from thermal equilibrium only in the azimuthal current-and radial pressure profile inherent in confinement. If dB/dr > 0 and {Delta}B = R(dB/dr) > B(T{sub e}/T{sub i}), the ExB ''diffusion'' coefficient is (1) D{sub Up-Tack} {<=} (cT{sub /}eB )({rho}{sub i}/R) (T{sub e}/T{sub i} + m{sub e}/m{sub i}) Vulgar-Fraction-One-Half where {rho}{sub i} is the ion gyroradius and R is the plasma radius. If dB/dr is only positive on the average, there is an additional requirement that L/R < (T{sub i}/T{sub e}) Vulgar-Fraction-One-Half , where L is the length along B over which dB/dr is negative. Applications to various thermonuclear magnetic confinement geometries are discussed. Results in some cases are encouraging and complement our previous conclusion that stochastic diffusion is also tolerable for fusion. Open questions are the {beta} limit and the non-linear behavior of certain velocity-space instabilities at {omega} {>=} {omega}{sub ci}. the ion gyrofrequency. In deriving eq. 1, we take D{sub Up-Tack} = {lambda}(cE{sub Up-Tack }/B), where {lambda} is a radial ''mixing length''. We estimate E{sub Up-Tack} from the available free energy composed of two terms, {delta}W = {delta}W{sub 0} + {delta}W{sub 1}, the first term, {delta}W{sub 0}, is the usual stabilizing term in a magnetic well, or an ''average'' well, if the magnetic moment {mu} and the longitudinal invariant J are conserved. The term {delta}W, accounts for violations of adiabatic invariance. We estimate it from nonlinear thermodynamics. There can be a large positive contribution to {delta}W from the relaese of thermal energy in a manner analogous to expansion cooling of a gas, which accounts for anomalous diffusion in several experiments where d
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.
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.
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.
Dynamics of a quantum two-level system under the action of phase-diffusion field
Energy Technology Data Exchange (ETDEWEB)
Sobakinskaya, E.A. [Institute for Physics of Microstructures of RAS, Nizhny Novgorod, 603950 (Russian Federation); Pankratov, A.L., E-mail: alp@ipm.sci-nnov.ru [Institute for Physics of Microstructures of RAS, Nizhny Novgorod, 603950 (Russian Federation); Vaks, V.L. [Institute for Physics of Microstructures of RAS, Nizhny Novgorod, 603950 (Russian Federation)
2012-01-09
We study a behavior of quantum two-level system, interacting with noisy phase-diffusion field. The dynamics is shown to split into two regimes, determined by the coherence time of the phase-diffusion field. For both regimes we present a model of quantum system behavior and discuss possible applications of the obtained effect for spectroscopy. In particular, the obtained analytical formula for the macroscopic polarization demonstrates that the phase-diffusion field does not affect the absorption line shape, which opens up an intriguing possibility of noisy spectroscopy, based on broadband sources with Lorentzian line shape. -- Highlights: ► We study dynamics of quantum system interacting with noisy phase-diffusion field. ► At short times the phase-diffusion field induces polarization in the quantum system. ► At long times the noise leads to polarization decay and heating of a quantum system. ► Simple model of interaction is derived. ► Application of the described effects for spectroscopy is discussed.
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
Molecular dynamics simulation of nanoscale surface diffusion of heterogeneous adatoms clusters
International Nuclear Information System (INIS)
Imran, Muhammad; Hussain, Fayyaz; Ullah, Hafeez; Ahmad, Ejaz; Rashid, Muhammad; Ismail, Muhammad; Cai, Yongqing; Javid, M Arshad; Ahmad, S A
2016-01-01
Molecular dynamics simulation employing the embedded atom method potential is utilized to investigate nanoscale surface diffusion mechanisms of binary heterogeneous adatoms clusters at 300 K, 500 K, and 700 K. Surface diffusion of heterogeneous adatoms clusters can be vital for the binary island growth on the surface and can be useful for the formation of alloy-based thin film surface through atomic exchange process. The results of the diffusion process show that at 300 K, the diffusion of small adatoms clusters shows hopping, sliding, and shear motion; whereas for large adatoms clusters (hexamer and above), the diffusion is negligible. At 500 K, small adatoms clusters, i.e., dimer, show almost all possible diffusion mechanisms including the atomic exchange process; however no such exchange is observed for adatoms clusters greater than dimer. At 700 K, the exchange mechanism dominates for all types of clusters, where Zr adatoms show maximum tendency and Ag adatoms show minimum or no tendency toward the exchange process. Separation and recombination of one or more adatoms are also observed at 500 K and 700 K. The Ag adatoms also occupy pop-up positions over the adatoms clusters for short intervals. At 700 K, the vacancies are also generated in the vicinity of the adatoms cluster, vacancy formation, filling, and shifting can be observed from the results. (paper)
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.}
Molecular dynamics simulation of three plastic additives' diffusion in polyethylene terephthalate.
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.
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.
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Ahonen, A.; Koivula, A.; Kallanranta, T.; Kuikka, J.
1981-01-01
The extracranial blood flow seriously complicates the interpretation of dynamic cerebral studies. To eliminate this, we used a blood pressure cuff placed around the head in 50 patients with no evidence of cerebrovascular disease. The pressure in the headband was increased to 30 mmHg above the patient's systolic pressure, and the first 60 sec static scintigram was taken exactly 3 min after the injection of sup(99m)Tc-pertechnetate. A second 60 sec static scintigram was taken without pressure in the headband at 6 min after injection. After correction for diffusion of tracer into extravascular compartments we could still show 13% reduction in counting rates over the hemispheric regions and 30% over the convexity regions during application of the pressure headband. With the Xenon method, the application of the headband appears to have insignificant influence on the results of cerebral perfusion. We thus recommend that a headband should be used for dynamic sup(99m)Tc-isotope cerebral circulation studies. (author)
INTRODUCTION: Surface Dynamics, Phonons, Adsorbate Vibrations and Diffusion
Bruch, L. W.
2004-07-01
well infrared photodetectors (QWIPs) and resonant cavity-enhanced photodiodes (RCEPDs) based on dilute nitrides need to be investigated extensively. To date, most theoretical attention has been focused on understanding the band structure of the GaInAsN/GaAs system and on evaluating gain spectra and threshold conditions for 1.3 µm lasers. However, as our understanding of band structure and the effects of strain, defects, etc in dilute nitrides improves we can calculate the electrical and optical properties, including radiative and non-radiative recombination for the materials and structures of interest. The spontaneous and stimulated emission rates have already been calculated for GaInNAs at 1.3 µm by many authors, but extension to other dilute nitrides and other wavelength ranges still represents a major challenge. Many-body effects, including exchange-correlation effects, are essential for accurate models of gain spectra in lasers and optical amplifiers. The differential gain is a key parameter for laser modulation and remains an important subject of study as new materials and structures are explored. Similarly the differential refractive index and linewidth enhancement factor have strong influences on laser spectrum (chirp, linewidth), dynamics and noise, and these must also be studied theoretically. As regards to non-radiative recombination, in addition to recombination through defects, the Auger effect is of especial significance for wavelengths beyond 1 µm and is a worthy subject for theoretical study. The converse effect, impact ionization, is of key importance for avalanche photodiodes (APDs) and has yet to be evaluated for the dilute nitride materials. Inter-valence band absorption (IVBA) is of significance, as a possible cause of temperature sensitivity in lasers and this must be investigated theoretically in the dilute nitrides. Third-order non-linear optical coefficients should be calculated in order to assess the scope for all-optical signal processing
Some applications of nonlinear diffusion to processing of dynamic evolution images
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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
Álvarez, Gonzalo A.; Shemesh, Noam; Frydman, Lucio
2014-02-01
Dynamical decoupling, a generalization of the original NMR spin-echo sequence, is becoming increasingly relevant as a tool for reducing decoherence in quantum systems. Such sequences apply non-equidistant refocusing pulses for optimizing the coupling between systems, and environmental fluctuations characterized by a given noise spectrum. One such sequence, dubbed Selective Dynamical Recoupling (SDR) [P. E. S. Smith, G. Bensky, G. A. Álvarez, G. Kurizki, and L. Frydman, Proc. Natl. Acad. Sci. 109, 5958 (2012)], allows one to coherently reintroduce diffusion decoherence effects driven by fluctuations arising from restricted molecular diffusion [G. A. Álvarez, N. Shemesh, and L. Frydman, Phys. Rev. Lett. 111, 080404 (2013)]. The fully-refocused, constant-time, and constant-number-of-pulses nature of SDR also allows one to filter out "intrinsic" T1 and T2 weightings, as well as pulse errors acting as additional sources of decoherence. This article explores such features when the fluctuations are now driven by unrestricted molecular diffusion. In particular, we show that diffusion-driven SDR can be exploited to investigate the decoherence arising from the frequency fluctuations imposed by internal gradients. As a result, SDR presents a unique way of probing and characterizing these internal magnetic fields, given an a priori known free diffusion coefficient. This has important implications in studies of structured systems, including porous media and live tissues, where the internal gradients may serve as fingerprints for the system's composition or structure. The principles of this method, along with full analytical solutions for the unrestricted diffusion-driven modulation of the SDR signal, are presented. The potential of this approach is demonstrated with the generation of a novel source of MRI contrast, based on the background gradients active in an ex vivo mouse brain. Additional features and limitations of this new method are discussed.
International Nuclear Information System (INIS)
Álvarez, Gonzalo A.; Shemesh, Noam; Frydman, Lucio
2014-01-01
Dynamical decoupling, a generalization of the original NMR spin-echo sequence, is becoming increasingly relevant as a tool for reducing decoherence in quantum systems. Such sequences apply non-equidistant refocusing pulses for optimizing the coupling between systems, and environmental fluctuations characterized by a given noise spectrum. One such sequence, dubbed Selective Dynamical Recoupling (SDR) [P. E. S. Smith, G. Bensky, G. A. Álvarez, G. Kurizki, and L. Frydman, Proc. Natl. Acad. Sci. 109, 5958 (2012)], allows one to coherently reintroduce diffusion decoherence effects driven by fluctuations arising from restricted molecular diffusion [G. A. Álvarez, N. Shemesh, and L. Frydman, Phys. Rev. Lett. 111, 080404 (2013)]. The fully-refocused, constant-time, and constant-number-of-pulses nature of SDR also allows one to filter out “intrinsic” T 1 and T 2 weightings, as well as pulse errors acting as additional sources of decoherence. This article explores such features when the fluctuations are now driven by unrestricted molecular diffusion. In particular, we show that diffusion-driven SDR can be exploited to investigate the decoherence arising from the frequency fluctuations imposed by internal gradients. As a result, SDR presents a unique way of probing and characterizing these internal magnetic fields, given an a priori known free diffusion coefficient. This has important implications in studies of structured systems, including porous media and live tissues, where the internal gradients may serve as fingerprints for the system's composition or structure. The principles of this method, along with full analytical solutions for the unrestricted diffusion-driven modulation of the SDR signal, are presented. The potential of this approach is demonstrated with the generation of a novel source of MRI contrast, based on the background gradients active in an ex vivo mouse brain. Additional features and limitations of this new method are discussed
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
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.
Self-diffusion dynamic behavior of atomic clusters on Re(0 0 0 1) surface
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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.
Molecular dynamics simulation of self-diffusion coefficients for liquid metals
International Nuclear Information System (INIS)
Ju Yuan-Yuan; Zhang Qing-Ming; Gong Zi-Zheng; Ji Guang-Fu
2013-01-01
The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics methods based on the embedded-atom-method (EAM) potential function. The simulated results show that a good inverse linear relation exists between the natural logarithm of self-diffusion coefficients and temperature, though the results in the literature vary somewhat, due to the employment of different potential functions. The estimated activation energy of liquid metals obtained by fitting the Arrhenius formula is close to the experimental data. The temperature-dependent shear-viscosities obtained from the Stokes—Einstein relation in conjunction with the results of molecular dynamics simulation are generally consistent with other values in the literature. (atomic and molecular physics)
Dynamics of normal and superfluid fogs using diffusing-wave spectroscopy
International Nuclear Information System (INIS)
Kim, Heetae; Lemieux, Pierre-Anthony; Durian, Douglas J.; Williams, Gary A.
2004-01-01
The dynamics of normal and superfluid fogs are studied using the technique of diffusing-wave spectroscopy. For a water fog generated with a 1.75 MHz piezoelectric driver below the liquid surface, the 7 μm diameter droplets are found to have diffusive dynamics for correlation times long compared to the viscous time. For a fog of 10 μm diameter superfluid helium droplets in helium vapor at 1.5 K the motion appears to be ballistic for correlation times short compared to the viscous time. The velocity correlations between the helium droplets are found to depend on the initial velocity with which the droplets are injected from the helium surface into the fog
Molecular dynamics study of water molecule diffusion in oil-paper insulation materials
International Nuclear Information System (INIS)
Liao Ruijin; Zhu Mengzhao; Yang Lijun; Zhou Xin; Gong Chunyan
2011-01-01
Moisture is an important factor that influences the safe operation of transformers. In this study, molecular dynamics was employed to investigate the diffusion behavior of water molecules in the oil-paper insulation materials of transformers. Two oil-cellulose models were built. In the first model, water molecules were initially distributed in oil, and in the second model, water molecules were distributed in cellulose. The non-bonding energies of interaction between water molecules and oil, and between water molecules and cellulose, were calculated by the Dreiding force field. The interaction energy was found to play a dominant role in influencing the equilibrium distribution of water molecules. The radial direction functions of water molecules toward oil and cellulose indicate that the hydrogen bonds between water molecules and cellulose are sufficiently strong to withstand the operating temperature of the transformer. Mean-square displacement analysis of water molecules diffusion suggests that water molecules initially distributed in oil showed anisotropic diffusion; they tended to diffuse toward cellulose. Water molecules initially distributed in cellulose diffused isotropically. This study provides a theoretical contribution for improvements in online monitoring of water in transformers, and for subsequent research on new insulation materials.
Molecular dynamics study of water molecule diffusion in oil-paper insulation materials
Energy Technology Data Exchange (ETDEWEB)
Liao Ruijin [State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Chongqing 400044 (China); Zhu Mengzhao, E-mail: xiaozhupost@163.co [State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Chongqing 400044 (China); Yang Lijun; Zhou Xin; Gong Chunyan [State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Chongqing 400044 (China)
2011-03-01
Moisture is an important factor that influences the safe operation of transformers. In this study, molecular dynamics was employed to investigate the diffusion behavior of water molecules in the oil-paper insulation materials of transformers. Two oil-cellulose models were built. In the first model, water molecules were initially distributed in oil, and in the second model, water molecules were distributed in cellulose. The non-bonding energies of interaction between water molecules and oil, and between water molecules and cellulose, were calculated by the Dreiding force field. The interaction energy was found to play a dominant role in influencing the equilibrium distribution of water molecules. The radial direction functions of water molecules toward oil and cellulose indicate that the hydrogen bonds between water molecules and cellulose are sufficiently strong to withstand the operating temperature of the transformer. Mean-square displacement analysis of water molecules diffusion suggests that water molecules initially distributed in oil showed anisotropic diffusion; they tended to diffuse toward cellulose. Water molecules initially distributed in cellulose diffused isotropically. This study provides a theoretical contribution for improvements in online monitoring of water in transformers, and for subsequent research on new insulation materials.
International Nuclear Information System (INIS)
Liao, Liqiong; Fu, Yizheng; Liang, Ziaoyan; Mei, Linyu; Liu, Yaqing
2013-01-01
Molecular dynamics (MD) simulations have been used to study the diffusion behavior of small gas molecules (CO 2 ) in polyethylene terephthalate (PET)/polylactide (PLA) blends. The Flory-Huggins interaction parameters (χ) determined from the cohesive energy densities are smaller than the critical value of Flory-Huggins interaction parameters (χ critical ), and that indicates the good compatibility of PET/PLA blends. The diffusion coefficients of CO 2 are determined via MD simulations at 298 K. That the order of diffusion coefficients is correlated with the availably fractional free volume (FFV) of CO 2 in the PET/PLA blends means that the FFV plays a vital role in the diffusion behavior of CO 2 molecules in PET/PLA blends. The slopes of the log (MSD) as a function of log (t) are close to unity over the entire composition range of PET/PLA blends, which confirms the feasibility of MD approach reaches the normal diffusion regime of CO 2 in PET/PLA blends
Smith, Chip J.; Gehrke, Sascha; Hollóczki, Oldamur; Wagle, Durgesh V.; Heitz, Mark P.; Baker, Gary A.
2018-05-01
Bacterial cellulose ionogels (BCIGs) represent a new class of material comprising a significant content of entrapped ionic liquid (IL) within a porous network formed from crystalline cellulose microfibrils. BCIGs suggest unique opportunities in separations, optically active materials, solid electrolytes, and drug delivery due to the fact that they can contain as much as 99% of an IL phase by weight, coupled with an inherent flexibility, high optical transparency, and the ability to control ionogel cross-sectional shape and size. To allow for the tailoring of BCIGs for a multitude of applications, it is necessary to better understand the underlying principles of the mesoscopic confinement within these ionogels. Toward this, we present a study of the structural, relaxation, and diffusional properties of the ILs, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([emim][Tf2N]) and 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([bmpy][Tf2N]), using 1H and 19F NMR T1 relaxation times, rotational correlation times, and diffusion ordered spectroscopy (DOSY) diffusion coefficients, accompanied by molecular dynamics (MD) simulations. We observed that the cation methyl groups in both ILs were primary points of interaction with the cellulose chains and, while the pore size in cellulose is rather large, [emim]+ diffusion was slowed by ˜2-fold, whereas [Tf2N]- diffusion was unencumbered by incorporation in the ionogel. While MD simulations of [bmpy][Tf2N] confinement at the interface showed a diffusion coefficient decrease roughly 3-fold compared to the bulk liquid, DOSY measurements did not reveal any significant changes in diffusion. This suggests that the [bmpy][Tf2N] alkyl chains dominate diffusion through formation of apolar domains. This is in contrast to [emim][Tf2N] where delocalized charge appears to preclude apolar domain formation, allowing interfacial effects to be manifested at a longer range in [emim][Tf2N].
General solution of the aerosol dynamic equation: growth and diffusion processes
International Nuclear Information System (INIS)
Elgarayhi, A.; Elhanbaly, A.
2004-01-01
The dispersion of aerosol particles in a fluid media is studied considering the main mechanism for condensation and diffusion. This has been done when the technique of Lie is used for solving the aerosol dynamic equation. This method is very useful in sense that it reduces the partial differential equation to some ordinary differential equations. So, different classes of similarity solutions have been obtained. The quantity of well-defined physical interest is the mean particle volume has been calculated
Exploring the dynamics of balance data - movement variability in terms of drift and diffusion
Energy Technology Data Exchange (ETDEWEB)
Gottschall, Julia [Institute of Physics, University of Oldenburg, D-26111 Oldenburg (Germany)], E-mail: julia.gottschall@uni-oldenburg.de; Peinke, Joachim [Institute of Physics, University of Oldenburg, D-26111 Oldenburg (Germany)], E-mail: peinke@uni-oldenburg.de; Lippens, Volker [Department of Human Movement, University of Hamburg, Moller Street 10, D-20148 Hamburg (Germany)], E-mail: vlippens@uni-hamburg.de; Nagel, Volker [Department of Human Movement, University of Hamburg, Moller Street 10, D-20148 Hamburg (Germany)
2009-02-23
We introduce a method to analyze postural control on a balance board by reconstructing the underlying dynamics in terms of a Langevin model. Drift and diffusion coefficients are directly estimated from the data and fitted by a suitable parametrization. The governing parameters are utilized to evaluate balance performance and the impact of supra-postural tasks on it. We show that the proposed method of analysis gives not only self-consistent results but also provides a plausible model for the reconstruction of balance dynamics.
Exploring the dynamics of balance data - movement variability in terms of drift and diffusion
International Nuclear Information System (INIS)
Gottschall, Julia; Peinke, Joachim; Lippens, Volker; Nagel, Volker
2009-01-01
We introduce a method to analyze postural control on a balance board by reconstructing the underlying dynamics in terms of a Langevin model. Drift and diffusion coefficients are directly estimated from the data and fitted by a suitable parametrization. The governing parameters are utilized to evaluate balance performance and the impact of supra-postural tasks on it. We show that the proposed method of analysis gives not only self-consistent results but also provides a plausible model for the reconstruction of balance dynamics
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)
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.
Diffusive real-time dynamics of a particle with Berry curvature
Misaki, Kou; Miyashita, Seiji; Nagaosa, Naoto
2018-02-01
We study theoretically the influence of Berry phase on the real-time dynamics of the single particle focusing on the diffusive dynamics, i.e., the time dependence of the distribution function. Our model can be applied to the real-time dynamics of intraband relaxation and diffusion of optically excited excitons, trions, or particle-hole pair. We found that the dynamics at the early stage is deeply influenced by the Berry curvature in real space (B ), momentum space (Ω ), and also the crossed space between these two (C ). For example, it is found that Ω induces the rotation of the wave packet and causes the time dependence of the mean square displacement of the particle to be linear in time t at the initial stage; it is qualitatively different from the t3 dependence in the absence of the Berry curvature. It is also found that Ω and C modify the characteristic time scale of the thermal equilibration of momentum distribution. Moreover, the dynamics under various combinations of B ,Ω , and C shows singular behaviors such as the critical slowing down or speeding up of the momentum equilibration and the reversals of the direction of rotations. The relevance of our model for time-resolved experiments in transition metal dichalcogenides is also discussed.
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.
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
Anomalous magnetohydrodynamics in the extreme relativistic domain
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...
Vibrational relaxation dynamics of SD molecules in As2S3: Observation of an anomalous isotope effect
International Nuclear Information System (INIS)
Engholm, J.R.; Happek, U.; Rella, C.W.
1995-01-01
It is generally assumed that the vibrational relaxation of molecular impurities in crystals and glasses mainly depends on the order of the decay process, with lower order processes leading to more rapid relaxation (a behavior that is known under the term open-quotes gap-lawclose quotes). Here we present measurements that contradict this assumption. Using high intensity psec pulses of the Stanford FEL we measured the relaxation rate of the SD vibrational stretch mode (at a frequency of 1800 cm) by applying a pump-probe technique. We find relaxation rates on the order of 2x10 9 sec -1 , which are a factor of 2 lower than those found for the isotope molecule SH (at a frequency of about 2500 cm - 1 ) in the same host 1 . We recall that the relaxation of the SD vibrational stretch mode is controlled by a lower order process as compared to the SH molecule, which is due to the smaller number of host vibrational quanta to match the energy of the stretch mode; a fact we have confirmed experimentally by temperature dependent relaxation measurements. Thus our remits are in marked contrast to the so-called open-quotes Gap-Lawclose quotes and emphasize the importance of the molecule - host coupling in the relaxation dynamics
Inference of protein diffusion probed via fluorescence correlation spectroscopy
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.
A molecular dynamics study of nuclear quantum effect on the diffusion of hydrogen in condensed phase
International Nuclear Information System (INIS)
Nagashima, Hiroki; Tokumasu, Takashi; Tsuda, Shin-ichi; Tsuboi, Nobuyuki; Koshi, Mitsuo; Hayashie, A. Koichi
2014-01-01
In this paper, the quantum effect of hydrogen molecule on its diffusivity is analyzed using Molecular Dynamics (MD) method. The path integral centroid MD (CMD) method is applied for the reproduction method of time evolution of the molecules. The diffusion coefficient of liquid hydrogen is calculated using the Green-Kubo method. The simulation is performed at wide temperature region and the temperature dependence of the quantum effect of hydrogen molecule is addressed. The calculation results are compared with those of classical MD results. As a result, it is confirmed that the diffusivity of hydrogen molecule is changed depending on temperature by the quantum effect. It is clarified that this result can be explained that the dominant factor by quantum effect on the diffusivity of hydrogen changes from the swollening the potential to the shallowing the potential well around 30 K. Moreover, it is found that this tendency is related to the temperature dependency of the ratio of the quantum kinetic energy and classical kinetic energy
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.
Diffusive dynamics during the high-to-low density transition in amorphous ice
Perakis, Fivos; Amann-Winkel, Katrin; Lehmkühler, Felix; Sprung, Michael; Mariedahl, Daniel; Sellberg, Jonas A.; Pathak, Harshad; Späh, Alexander; Cavalca, Filippo; Schlesinger, Daniel; Ricci, Alessandro; Jain, Avni; Massani, Bernhard; Aubree, Flora; Benmore, Chris J.; Loerting, Thomas; Grübel, Gerhard; Pettersson, Lars G. M.; Nilsson, Anders
2017-08-01
Water exists in high- and low-density amorphous ice forms (HDA and LDA), which could correspond to the glassy states of high- (HDL) and low-density liquid (LDL) in the metastable part of the phase diagram. However, the nature of both the glass transition and the high-to-low-density transition are debated and new experimental evidence is needed. Here we combine wide-angle X-ray scattering (WAXS) with X-ray photon-correlation spectroscopy (XPCS) in the small-angle X-ray scattering (SAXS) geometry to probe both the structural and dynamical properties during the high-to-low-density transition in amorphous ice at 1 bar. By analyzing the structure factor and the radial distribution function, the coexistence of two structurally distinct domains is observed at T = 125 K. XPCS probes the dynamics in momentum space, which in the SAXS geometry reflects structural relaxation on the nanometer length scale. The dynamics of HDA are characterized by a slow component with a large time constant, arising from viscoelastic relaxation and stress release from nanometer-sized heterogeneities. Above 110 K a faster, strongly temperature-dependent component appears, with momentum transfer dependence pointing toward nanoscale diffusion. This dynamical component slows down after transition into the low-density form at 130 K, but remains diffusive. The diffusive character of both the high- and low-density forms is discussed among different interpretations and the results are most consistent with the hypothesis of a liquid-liquid transition in the ultraviscous regime.
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)
Wang, Bo; Anthony, Stephen M; Bae, Sung Chul; Granick, Steve
2009-09-08
We describe experiments using single-particle tracking in which mean-square displacement is simply proportional to time (Fickian), yet the distribution of displacement probability is not Gaussian as should be expected of a classical random walk but, instead, is decidedly exponential for large displacements, the decay length of the exponential being proportional to the square root of time. The first example is when colloidal beads diffuse along linear phospholipid bilayer tubes whose radius is the same as that of the beads. The second is when beads diffuse through entangled F-actin networks, bead radius being less than one-fifth of the actin network mesh size. We explore the relevance to dynamic heterogeneity in trajectory space, which has been extensively discussed regarding glassy systems. Data for the second system might suggest activated diffusion between pores in the entangled F-actin networks, in the same spirit as activated diffusion and exponential tails observed in glassy systems. But the first system shows exceptionally rapid diffusion, nearly as rapid as for identical colloids in free suspension, yet still displaying an exponential probability distribution as in the second system. Thus, although the exponential tail is reminiscent of glassy systems, in fact, these dynamics are exceptionally rapid. We also compare with particle trajectories that are at first subdiffusive but Fickian at the longest measurement times, finding that displacement probability distributions fall onto the same master curve in both regimes. The need is emphasized for experiments, theory, and computer simulation to allow definitive interpretation of this simple and clean exponential probability distribution.
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 )
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
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.
Lü, Yongjun; Cheng, Hao; Chen, Min
2012-06-01
The self-diffusion coefficients D and the viscosities η of elemental Ni, Cu, and Ni-Si alloys have been calculated over a wide temperature range by molecular dynamics simulations. For elemental Ni and Cu, Arrhenius-law variations of D and η with temperature dominate. The temperature dependence of Dη can be approximated by a linear relation, whereas the Stokes-Einstein relation is violated. The calculations of D and η are extended to the regions close to the crystallization of Ni95Si5, Ni90Si10, and the glass transitions of Ni80Si20 and Ni75Si25. The results show that both D and η strongly deviate from the Arrhenius law in the vicinity of phase transitions, exhibiting a power-law divergence. We find a decoupling of diffusion and viscous flow just above the crystallization of Ni95Si5 and Ni90Si10. For the two glass-forming alloys, Ni80Si20 and Ni75Si25, the relation Dη = const is obeyed as the glass transition is approached, indicating a dynamic coupling as predicted by the mode-coupling theory. This coupling is enhanced with increasing Si composition and at 25%, Si spans a wide temperature range through the melting point. The decoupling is found to be related to the distribution of local ordered structure in the melts. The power-law governing the growth of solid-like clusters prior to crystallization creates a dynamic heterogeneity responsible for decoupling.
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.
Molecular dynamics simulations of the diffusion and coalescence of helium in tungsten
Energy Technology Data Exchange (ETDEWEB)
Zhou, Y.L. [Key Lab for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064 (China); Department of Physics, Guangxi University, Nanning 530004 (China); Wang, J. [Key Lab for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064 (China); Hou, Q., E-mail: qhou@scu.edu.cn [Key Lab for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064 (China); Deng, A.H. [Department of Physics, Sichuan University, Chengdu 610064 (China)
2014-03-15
Molecular dynamics (MD) simulations are performed on the diffusion and coalescence of helium in tungsten. A new method for determining the effective capture radii (ECRs) and the dissociation energies of helium-related defects is proposed in this work. It is observed that the ECR of an interstitial helium atom trapping helium interstitials (denoted as He–He{sub n}, n = 1–3) decreases with increasing temperature, except for He–He{sub 2} at T < 400 K. The traditional view that the ECR is approximately equal to the lattice constant, which has been widely used in kinetic Monte Carlo (KMC) and rate theory (RT) models, is only valid in some cases. However, the ECR between an interstitial helium atom and a substitutional helium atom (denoted as He–HeV) always approximates the third nearest-neighbor tetrahedral positions of the HeV. The diffusion coefficients D{sub n} for helium clusters are also investigated. He{sub 2} migrates more quickly than a single He atom does at T < 400 K, whereas the diffusion path of He{sub 2} changes at higher temperatures. Another counterintuitive observation is that D{sub 5} > D{sub 3} > D{sub 4} at T < 500 K, which can be attributed to the disordered structure of He{sub 5}. The Arrhenius relation describes the diffusion of He{sub n} well in the temperature range from 300 K to 550 K, whereas the diffusion is not a standard thermally activated process at higher temperatures. Taken together, these results help elucidate the initial stage of helium bubble formation in tungsten as well as the requirements of long-term evolution methods such as KMC or RT models.
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 ...
Energy Technology Data Exchange (ETDEWEB)
Gammon, M.; Shalchi, A., E-mail: andreasm4@yahoo.com [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)
2017-10-01
In several astrophysical applications one needs analytical forms of cosmic-ray diffusion parameters. Some examples are studies of diffusive shock acceleration and solar modulation. In the current article we explore perpendicular diffusion based on the unified nonlinear transport theory. While we focused on magnetostatic turbulence in Paper I, we included the effect of dynamical turbulence in Paper II of the series. In the latter paper we assumed that the temporal correlation time does not depend on the wavenumber. More realistic models have been proposed in the past, such as the so-called damping model of dynamical turbulence. In the present paper we derive analytical forms for the perpendicular diffusion coefficient of energetic particles in two-component turbulence for this type of time-dependent turbulence. We present new formulas for the perpendicular diffusion coefficient and we derive a condition for which the magnetostatic result is recovered.
Computing the blood brain barrier (BBB) diffusion coefficient: A molecular dynamics approach
Energy Technology Data Exchange (ETDEWEB)
Shamloo, Amir, E-mail: shamloo@sharif.edu; Pedram, Maysam Z.; Heidari, Hossein; Alasty, Aria, E-mail: aalasti@sharif.edu
2016-07-15
Various physical and biological aspects of the Blood Brain Barrier (BBB) structure still remain unfolded. Therefore, among the several mechanisms of drug delivery, only a few have succeeded in breaching this barrier, one of which is the use of Magnetic Nanoparticles (MNPs). However, a quantitative characterization of the BBB permeability is desirable to find an optimal magnetic force-field. In the present study, a molecular model of the BBB is introduced that precisely represents the interactions between MNPs and the membranes of Endothelial Cells (ECs) that form the BBB. Steered Molecular Dynamics (SMD) simulations of the BBB crossing phenomenon have been carried out. Mathematical modeling of the BBB as an input-output system has been considered from a system dynamics modeling viewpoint, enabling us to analyze the BBB behavior based on a robust model. From this model, the force profile required to overcome the barrier has been extracted for a single NP from the SMD simulations at a range of velocities. Using this data a transfer function model has been obtained and the diffusion coefficient is evaluated. This study is a novel approach to bridge the gap between nanoscale models and microscale models of the BBB. The characteristic diffusion coefficient has the nano-scale molecular effects inherent, furthermore reducing the computational costs of a nano-scale simulation model and enabling much more complex studies to be conducted. - Highlights: • Molecular dynamics simulation of crossing nano-particles through the BBB membrane at different velocities. • Recording the position of nano-particle and the membrane-NP interaction force profile. • Identification of a frequency domain model for the membrane. • Calculating the diffusion coefficient based on MD simulation and identified model. • Obtaining a relation between continuum medium and discrete medium.
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.
International Nuclear Information System (INIS)
Kamerlin, Natasha; Elvingson, Christer
2016-01-01
We have investigated an alternative to the standard periodic boundary conditions for simulating the diffusion of tracer particles in a polymer gel by performing Brownian dynamics simulations using spherical boundary conditions. The gel network is constructed by randomly distributing tetravalent cross-linking nodes and connecting nearest pairs. The final gel structure is characterised by the radial distribution functions, chain lengths and end-to-end distances, and the pore size distribution. We have looked at the diffusion of tracer particles with a wide range of sizes, diffusing in both static and dynamic networks of two different volume fractions. It is quantitatively shown that the dynamical effect of the network becomes more important in facilitating the diffusional transport for larger particle sizes, and that one obtains a finite diffusion also for particle sizes well above the maximum in the pore size distribution. (paper)
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)
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.
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
International Nuclear Information System (INIS)
Christien, F.; Barbu, A.
2005-01-01
A model based on the cluster dynamics approach was proposed in [A. Hardouin Duparc, C. Moingeon, N. Smetniansky-de-Grande, A. Barbu, J. Nucl. Mater. 302 (2002) 143] to describe point defect agglomeration in metals under irradiation. This model is restricted to materials where point defect diffusion is isotropic and is thus not applicable to anisotropic metals such as zirconium. Following the approach proposed by Woo [C.H. Woo, J. Nucl. Mater. 159 (1988) 237], we extended in this work the model to the case where self-interstitial atoms (SIA) diffusion is anisotropic. The model was then applied to the loop microstructure evolution of a zirconium thin foil irradiated with electrons in a high-voltage microscope. First, the inputs were validated by comparing the numerical results with Hellio et al. experimental results [C. Hellio, C.H. de Novion, L. Boulanger, J. Nucl. Mater. 159 (1988) 368]. Further calculations were made to evidence the effect of the thin foil orientation on the dislocation loop microstructure under irradiation. The result is that it is possible to reproduce for certain orientations the 'unexpected' vacancy loop growth experimentally observed in electron-irradiated zirconium [M. Griffiths, M.H. Loretto, R.E. Sallmann, J. Nucl. Mater. 115 (1983) 313; J. Nucl. Mater. 115 (1983) 323; Philos. Mag. A 49 (1984) 613]. This effect is directly linked to SIA diffusion anisotropy
Subcontract Report: Diffusion Mechanisms and Bond Dynamics in Solid Electrolyte Ion-Conductors
Energy Technology Data Exchange (ETDEWEB)
Zevgolis, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hall, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Alvez, T. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Mehmedovic, Z. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Shea, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Varley, J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Wood, B. C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Adelstein, N. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2017-10-03
We employ first-principles molecular dynamics simulations and Maximally Localized Wannier Function (MLWF) analysis to explore how halide substitution and nano-phase microstructures affect diffusivity, through the activation energy barrier - E_{a} and D_{0}, in the solid electrolyte Li_{3}InBr_{6-x}Cl_{x}. We find that nano-phase microstructures with x=3 (50-50 Br-Cl) mixed composition have a higher diffusivity compared to x=2 and x=3 solid solutions. There is a positive linear relationship between ln(D_{0}.) and E_{a}, which suggests that for superionic conductivity optimizing both the activation energy and the D_{0} is important. Bond frustration due to mismatch in crystal geometry and ideal coordination number leads to especially high diffusivity through a high D_{0} in the x=3 composition.
Diffusing-wave spectroscopy in a standard dynamic light scattering setup
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
1D momentum-conserving systems: the conundrum of anomalous versus normal heat transport
International Nuclear Information System (INIS)
Li, Yunyun; Li, Nianbei; Hänggi, Peter; Li, Baowen; Liu, Sha
2015-01-01
Transport and the spread of heat in Hamiltonian one dimensional momentum conserving nonlinear systems is commonly thought to proceed anomalously. Notable exceptions, however, do exist of which the coupled rotator model is a prominent case. Therefore, the quest arises to identify the origin of manifest anomalous energy and momentum transport in those low dimensional systems. We develop the theory for both, the statistical densities for momentum- and energy-spread and particularly its momentum-/heat-diffusion behavior, as well as its corresponding momentum/heat transport features. We demonstrate that the second temporal derivative of the mean squared deviation of the momentum spread is proportional to the equilibrium correlation of the total momentum flux. Subtracting the part which corresponds to a ballistic momentum spread relates (via this integrated, subleading momentum flux correlation) to an effective viscosity, or equivalently, to the underlying momentum diffusivity. We next put forward the intriguing hypothesis: normal spread of this so adjusted excess momentum density causes normal energy spread and alike normal heat transport (Fourier Law). Its corollary being that an anomalous, superdiffusive broadening of this adjusted excess momentum density in turn implies an anomalous energy spread and correspondingly anomalous, superdiffusive heat transport. This hypothesis is successfully corroborated within extensive molecular dynamics simulations over large extended time scales. Our numerical validation of the hypothesis involves four distinct archetype classes of nonlinear pair-interaction potentials: (i) a globally bounded pair interaction (the noted coupled rotator model), (ii) unbounded interactions acting at large distances (the coupled rotator model amended with harmonic pair interactions), (iii) the case of a hard point gas with unbounded square-well interactions and (iv) a pair interaction potential being unbounded at short distances while displaying an
1D momentum-conserving systems: the conundrum of anomalous versus normal heat transport
Li, Yunyun; Liu, Sha; Li, Nianbei; Hänggi, Peter; Li, Baowen
2015-04-01
Transport and the spread of heat in Hamiltonian one dimensional momentum conserving nonlinear systems is commonly thought to proceed anomalously. Notable exceptions, however, do exist of which the coupled rotator model is a prominent case. Therefore, the quest arises to identify the origin of manifest anomalous energy and momentum transport in those low dimensional systems. We develop the theory for both, the statistical densities for momentum- and energy-spread and particularly its momentum-/heat-diffusion behavior, as well as its corresponding momentum/heat transport features. We demonstrate that the second temporal derivative of the mean squared deviation of the momentum spread is proportional to the equilibrium correlation of the total momentum flux. Subtracting the part which corresponds to a ballistic momentum spread relates (via this integrated, subleading momentum flux correlation) to an effective viscosity, or equivalently, to the underlying momentum diffusivity. We next put forward the intriguing hypothesis: normal spread of this so adjusted excess momentum density causes normal energy spread and alike normal heat transport (Fourier Law). Its corollary being that an anomalous, superdiffusive broadening of this adjusted excess momentum density in turn implies an anomalous energy spread and correspondingly anomalous, superdiffusive heat transport. This hypothesis is successfully corroborated within extensive molecular dynamics simulations over large extended time scales. Our numerical validation of the hypothesis involves four distinct archetype classes of nonlinear pair-interaction potentials: (i) a globally bounded pair interaction (the noted coupled rotator model), (ii) unbounded interactions acting at large distances (the coupled rotator model amended with harmonic pair interactions), (iii) the case of a hard point gas with unbounded square-well interactions and (iv) a pair interaction potential being unbounded at short distances while displaying an
Effects of thermal vapor diffusion on seasonal dynamics of water in the unsaturated zone
Milly, Paul C.D.
1996-01-01
The response of water in the unsaturated zone to seasonal changes of temperature (T) is determined analytically using the theory of nonisothermal water transport in porous media, and the solutions are tested against field observations of moisture potential and bomb fallout isotopic (36Cl and 3H) concentrations. Seasonally varying land surface temperatures and the resulting subsurface temperature gradients induce thermal vapor diffusion. The annual mean vertical temperature gradient is close to zero; however, the annual mean thermal vapor flux is downward, because the temperature‐dependent vapor diffusion coefficient is larger, on average, during downward diffusion (occurring at high T) than during upward diffusion (low T). The annual mean thermal vapor flux is shown to decay exponentially with depth; the depth (about 1 m) at which it decays to e−1of its surface value is one half of the corresponding decay depth for the amplitude of seasonal temperature changes. This depth‐dependent annual mean flux is effectively a source of water, which must be balanced by a flux divergence associated with other transport processes. In a relatively humid environment the liquid fluxes greatly exceed the thermal vapor fluxes, so such a balance is readily achieved without measurable effect on the dynamics of water in the unsaturated zone. However, if the mean vertical water flux through the unsaturated zone is very small (theoretical prediction is supported by long‐term field measurements in the Chihuahuan Desert. The analysis also makes predictions, confirmed by the field observations, regarding the seasonal variations of matric potential at a given depth. The conceptual model of unsaturated zone water transport developed here implies the possibility of near‐surface trapping of any aqueous constituent introduced at the surface.
Simulations of pattern dynamics for reaction-diffusion systems via SIMULINK.
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
Coron, Camille
2016-01-01
We are interested in the long-time behavior of a diploid population with sexual reproduction and randomly varying population size, characterized by its genotype composition at one bi-allelic locus. The population is modeled by a 3-dimensional birth-and-death process with competition, weak cooperation and Mendelian reproduction. This stochastic process is indexed by a scaling parameter K that goes to infinity, following a large population assumption. When the individual birth and natural death rates are of order K, the sequence of stochastic processes indexed by K converges toward a new slow-fast dynamics with variable population size. We indeed prove the convergence toward 0 of a fast variable giving the deviation of the population from quasi Hardy-Weinberg equilibrium, while the sequence of slow variables giving the respective numbers of occurrences of each allele converges toward a 2-dimensional diffusion process that reaches (0,0) almost surely in finite time. The population size and the proportion of a given allele converge toward a Wright-Fisher diffusion with stochastically varying population size and diploid selection. We insist on differences between haploid and diploid populations due to population size stochastic variability. Using a non trivial change of variables, we study the absorption of this diffusion and its long time behavior conditioned on non-extinction. In particular we prove that this diffusion starting from any non-trivial state and conditioned on not hitting (0,0) admits a unique quasi-stationary distribution. We give numerical approximations of this quasi-stationary behavior in three biologically relevant cases: neutrality, overdominance, and separate niches.
Tang, Jianbo; Erdener, Sefik Evren; Li, Baoqiang; Fu, Buyin; Sakadzic, Sava; Carp, Stefan A; Lee, Jonghwan; Boas, David A
2018-02-01
Quantitative measurements of intravascular microscopic dynamics, such as absolute blood flow velocity, shear stress and the diffusion coefficient of red blood cells (RBCs), are fundamental in understanding the blood flow behavior within the microcirculation, and for understanding why diffuse correlation spectroscopy (DCS) measurements of blood flow are dominantly sensitive to the diffusive motion of RBCs. Dynamic light scattering-optical coherence tomography (DLS-OCT) takes the advantages of using DLS to measure particle flow and diffusion within an OCT resolution-constrained three-dimensional volume, enabling the simultaneous measurements of absolute RBC velocity and diffusion coefficient with high spatial resolution. In this work, we applied DLS-OCT to measure both RBC velocity and the shear-induced diffusion coefficient within penetrating venules of the somatosensory cortex of anesthetized mice. Blood flow laminar profile measurements indicate a blunted laminar flow profile and the degree of blunting decreases with increasing vessel diameter. The measured shear-induced diffusion coefficient was proportional to the flow shear rate with a magnitude of ~0.1 to 0.5 × 10 -6 mm 2 . These results provide important experimental support for the recent theoretical explanation for why DCS is dominantly sensitive to RBC diffusive motion. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Anomalous transport from holography. Pt. II
International Nuclear Information System (INIS)
Bu, Yanyan; Sharon, Amir; Lublinsky, Michael
2017-01-01
This is a second study of chiral anomaly-induced transport within a holographic model consisting of anomalous U(1)_V x U(1)_A Maxwell theory in Schwarzschild-AdS_5 spacetime. In the first part, chiral magnetic/separation effects (CME/CSE) are considered in the presence of a static spatially inhomogeneous external magnetic field. Gradient corrections to CME/CSE are analytically evaluated up to third order in the derivative expansion. Some of the third order gradient corrections lead to an anomaly-induced negative B"2-correction to the diffusion constant. We also find modifications to the chiral magnetic wave nonlinear in B. In the second part, we focus on the experimentally interesting case of the axial chemical potential being induced dynamically by a constant magnetic and time-dependent electric fields. Constitutive relations for the vector/axial currents are computed employing two different approximations: (a) derivative expansion (up to third order) but fully nonlinear in the external fields, and (b) weak electric field limit but resuming all orders in the derivative expansion. A non-vanishing nonlinear axial current (CSE) is found in the first case. The dependence on magnetic field and frequency of linear transport coefficient functions is explored in the second. (orig.)
Anomalous 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.)
Control of dynamical localization
International Nuclear Information System (INIS)
Gong Jiangbin; Woerner, Hans Jakob; Brumer, Paul
2003-01-01
Control over the quantum dynamics of chaotic kicked rotor systems is demonstrated. Specifically, control over a number of quantum coherent phenomena is achieved by a simple modification of the kicking field. These include the enhancement of the dynamical localization length, the introduction of classical anomalous diffusion assisted control for systems far from the semiclassical regime, and the observation of a variety of strongly nonexponential line shapes for dynamical localization. The results provide excellent examples of controlled quantum dynamics in a system that is classically chaotic and offer opportunities to explore quantum fluctuations and correlations in quantum chaos
Non-Brownian diffusion in lipid membranes: Experiments and simulations.
Metzler, R; Jeon, J-H; Cherstvy, A G
2016-10-01
The dynamics of constituents and the surface response of cellular membranes-also in connection to the binding of various particles and macromolecules to the membrane-are still a matter of controversy in the membrane biophysics community, particularly with respect to crowded membranes of living biological cells. We here put into perspective recent single particle tracking experiments in the plasma membranes of living cells and supercomputing studies of lipid bilayer model membranes with and without protein crowding. Special emphasis is put on the observation of anomalous, non-Brownian diffusion of both lipid molecules and proteins embedded in the lipid bilayer. While single component, pure lipid bilayers in simulations exhibit only transient anomalous diffusion of lipid molecules on nanosecond time scales, the persistence of anomalous diffusion becomes significantly longer ranged on the addition of disorder-through the addition of cholesterol or proteins-and on passing of the membrane lipids to the gel phase. Concurrently, experiments demonstrate the anomalous diffusion of membrane embedded proteins up to macroscopic time scales in the minute time range. Particular emphasis will be put on the physical character of the anomalous diffusion, in particular, the occurrence of ageing observed in the experiments-the effective diffusivity of the measured particles is a decreasing function of time. Moreover, we present results for the time dependent local scaling exponent of the mean squared displacement of the monitored particles. Recent results finding deviations from the commonly assumed Gaussian diffusion patterns in protein crowded membranes are reported. The properties of the displacement autocorrelation function of the lipid molecules are discussed in the light of their appropriate physical anomalous diffusion models, both for non-crowded and crowded membranes. In the last part of this review we address the upcoming field of membrane distortion by elongated membrane
Energy Technology Data Exchange (ETDEWEB)
Barnard, L., E-mail: lmbarnard@wisc.edu; Morgan, D., E-mail: ddmorgan@wisc.edu
2014-06-01
In this study, ab initio molecular dynamics, implemented via density functional theory, is used to simulate self-interstitial diffusion in pure Ni and in the Ni-18 at.% Cr model alloy. Interstitial tracer diffusivities are measured from simulation results for pure Ni and for both Ni and Cr in the Ni–18Cr alloy. An Arrhenius function fit to these tracer diffusivities is then used in a rate theory model for radiation induced segregation, along with the experimentally measured vacancy diffusivities. It is predicted that interstitial diffusion has a tendency to cause Cr enrichment near grain boundaries, partially counterbalancing the tendency for vacancy diffusion to cause Cr depletion. This results in more mild Cr depletion than would result if only the vacancy diffusion were accounted for, in better agreement with experiment. This physical description of RIS in Ni–Cr alloys, which invokes the effects of both vacancy and interstitial diffusion, is distinct from the conventional description which accounts only for the effect of vacancy diffusion.
International Nuclear Information System (INIS)
Barnard, L.; Morgan, D.
2014-01-01
In this study, ab initio molecular dynamics, implemented via density functional theory, is used to simulate self-interstitial diffusion in pure Ni and in the Ni-18 at.% Cr model alloy. Interstitial tracer diffusivities are measured from simulation results for pure Ni and for both Ni and Cr in the Ni–18Cr alloy. An Arrhenius function fit to these tracer diffusivities is then used in a rate theory model for radiation induced segregation, along with the experimentally measured vacancy diffusivities. It is predicted that interstitial diffusion has a tendency to cause Cr enrichment near grain boundaries, partially counterbalancing the tendency for vacancy diffusion to cause Cr depletion. This results in more mild Cr depletion than would result if only the vacancy diffusion were accounted for, in better agreement with experiment. This physical description of RIS in Ni–Cr alloys, which invokes the effects of both vacancy and interstitial diffusion, is distinct from the conventional description which accounts only for the effect of vacancy diffusion
Solutions for a non-Markovian diffusion equation
International Nuclear Information System (INIS)
Lenzi, E.K.; Evangelista, L.R.; Lenzi, M.K.; Ribeiro, H.V.; Oliveira, E.C. de
2010-01-01
Solutions for a non-Markovian diffusion equation are investigated. For this equation, we consider a spatial and time dependent diffusion coefficient and the presence of an absorbent term. The solutions exhibit an anomalous behavior which may be related to the solutions of fractional diffusion equations and anomalous diffusion.
Sushko, Gennady B; Verkhovtsev, Alexey V; Yakubovich, Alexander V; Schramm, Stefan; Solov'yov, Andrey V
2014-08-21
The process of self-diffusion of titanium atoms in a bulk material, on grain junctions and on surface is explored numerically in a broad temperature range by means of classical molecular dynamics simulation. The analysis is carried out for a nanoscale cylindrical sample consisting of three adjacent sectors and various junctions between nanocrystals. The calculated diffusion coefficient varies by several orders of magnitude for different regions of the sample. The calculated values of the bulk diffusion coefficient correspond reasonably well to the experimental data obtained for solid and molten states of titanium. Investigation of diffusion in the nanocrystalline titanium is of a significant importance because of its numerous technological applications. This paper aims to reduce the lack of data on diffusion in titanium and describe the processes occurring in bulk, at different interfaces and on surface of the crystalline titanium.
Tang, Jianbo; Erdener, Sefik Evren; Li, Baoqiang; Fu, Buyin; Sakadzic, Sava; Carp, Stefan A.; Lee, Jonghwan; Boas, David A.
2018-02-01
Dynamic Light Scattering-Optical Coherence Tomography (DLS-OCT) takes the advantages of using DLS to measure particle flow and diffusion within an OCT resolution-constrained 3D volume, enabling the simultaneous measurements of absolute RBC velocity and diffusion coefficient with high spatial resolution. In this work, we applied DLS-OCT to measure both RBC velocity and the shear-induced diffusion coefficient within penetrating venules of the somatosensory cortex of anesthetized mice. Blood flow laminar profile measurements indicate a blunted laminar flow profile, and the degree of blunting decreases with increasing vessel diameter. The measured shear-induced diffusion coefficient was proportional to the flow shear rate with a magnitude of 0.1 to 0.5 × 10-6 mm2 . These results provide important experimental support for the recent theoretical explanation for why DCS is dominantly sensitive to RBC diffusive motion.
Anomalous gauge theories revisited
International Nuclear Information System (INIS)
Matsui, Kosuke; Suzuki, Hiroshi
2005-01-01
A possible formulation of chiral gauge theories with an anomalous fermion content is re-examined in light of the lattice framework based on the Ginsparg-Wilson relation. It is shown that the fermion sector of a wide class of anomalous non-abelian theories cannot consistently be formulated within this lattice framework. In particular, in 4 dimension, all anomalous non-abelian theories are included in this class. Anomalous abelian chiral gauge theories cannot be formulated with compact U(1) link variables, while a non-compact formulation is possible at least for the vacuum sector in the space of lattice gauge fields. Our conclusion is not applied to effective low-energy theories with an anomalous fermion content which are obtained from an underlying anomaly-free theory by sending the mass of some of fermions to infinity. For theories with an anomalous fermion content in which the anomaly is cancelled by the Green-Schwarz mechanism, a possibility of a consistent lattice formulation is not clear. (author)
Gaspari, Roberto; Rapallo, Arnaldo
2008-06-28
In this work a new method is proposed for the choice of basis functions in diffusion theory (DT) calculations. This method, named hybrid basis approach (HBA), combines the two previously adopted long time sorting procedure (LTSP) and maximum correlation approximation (MCA) techniques; the first emphasizing contributions from the long time dynamics, the latter being based on the local correlations along the chain. In order to fulfill this task, the HBA procedure employs a first order basis set corresponding to a high order MCA one and generates upper order approximations according to LTSP. A test of the method is made first on a melt of cis-1,4-polyisoprene decamers where HBA and LTSP are compared in terms of efficiency. Both convergence properties and numerical stability are improved by the use of the HBA basis set whose performance is evaluated on local dynamics, by computing the correlation times of selected bond vectors along the chain, and on global ones, through the eigenvalues of the diffusion operator L. Further use of the DT with a HBA basis set has been made on a 71-mer of syndiotactic trans-1,2-polypentadiene in toluene solution, whose dynamical properties have been computed with a high order calculation and compared to the "numerical experiment" provided by the molecular dynamics (MD) simulation in explicit solvent. The necessary equilibrium averages have been obtained by a vacuum trajectory of the chain where solvent effects on conformational properties have been reproduced with a proper screening of the nonbonded interactions, corresponding to a definite value of the mean radius of gyration of the polymer in vacuum. Results show a very good agreement between DT calculations and the MD numerical experiment. This suggests a further use of DT methods with the necessary input quantities obtained by the only knowledge of some experimental values, i.e., the mean radius of gyration of the chain and the viscosity of the solution, and by a suitable vacuum
Molecular dynamics simulations of self-diffusion near a symmetrical tilt grain boundary in UO{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Vincent-Aublant, E.; Delaye, J.M. [CEA-Marcoule, DEN/DTCD/SECM, B.P. 17171, 30207 Bagnols sur Ceze cedex (France); Van Brutzel, L. [CEA-Saclay, DEN-DANS/DPC/SCP/LM2T, 91191 Gif-sur-Yvette (France)
2008-07-01
Molecular dynamics (MD) simulations have been used to study the influence of symmetrical tilt grain boundaries (GBs) in stoichiometric UO{sub 2} on uranium and oxygen self-diffusions. The study was performed on a large range of temperature varying from 300 K to 2100 K. First, the effect of the temperature on the structure and the formation energies of 6 relaxed tilt GBs was investigated. The {sigma}5 and {sigma}41 GBs geometries were chosen to study the diffusion. O and U diffusion coefficients have been calculated and compared to those obtained in a perfect stoichiometric UO{sub 2} as well as in over and under-stoichiometric matrices. (authors)
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
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
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)
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.
Highly-sensitive and large-dynamic diffuse optical tomography system for breast tumor detection
Du, Wenwen; Zhang, Limin; Yin, Guoyan; Zhang, Yanqi; Zhao, Huijuan; Gao, Feng
2018-02-01
Diffuse optical tomography (DOT) as a new functional imaging has important clinical applications in many aspects such as benign and malignant breast tumor detection, tumor staging and so on. For quantitative detection of breast tumor, a three-wavelength continuous-wave DOT prototype system combined the ultra-high sensitivity of the photon-counting detection and the measurement parallelism of the lock-in technique was developed to provide high temporal resolution, high sensitivity, large dynamic detection range and signal-to-noise ratio. Additionally, a CT-analogous scanning mode was proposed to cost-effectively increase the detection data. To evaluate the feasibility of the system, a series of assessments were conducted. The results demonstrate that the system can obtain high linearity, stability and negligible inter-wavelength crosstalk. The preliminary phantom experiments show the absorption coefficient is able to be successfully reconstructed, indicating that the system is one of the ideal platforms for optical breast tumor detection.
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
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
Turbulent structure and dynamics of swirled, strongly pulsed jet diffusion flames
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.
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.
Correlation Networks from Flows. The Case of Forced and Time-Dependent Advection-Diffusion Dynamics.
Directory of Open Access Journals (Sweden)
Liubov Tupikina
Full Text Available Complex network theory provides an elegant and powerful framework to statistically investigate different types of systems such as society, brain or the structure of local and long-range dynamical interrelationships in the climate system. Network links in climate networks typically imply information, mass or energy exchange. However, the specific connection between oceanic or atmospheric flows and the climate network's structure is still unclear. We propose a theoretical approach for verifying relations between the correlation matrix and the climate network measures, generalizing previous studies and overcoming the restriction to stationary flows. Our methods are developed for correlations of a scalar quantity (temperature, for example which satisfies an advection-diffusion dynamics in the presence of forcing and dissipation. Our approach reveals that correlation networks are not sensitive to steady sources and sinks and the profound impact of the signal decay rate on the network topology. We illustrate our results with calculations of degree and clustering for a meandering flow resembling a geophysical ocean jet.
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.
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.
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)
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...... even in the extreme winter case. • Designed control strategies can be used in the future application of this system....
Anomalous water absorption in porous materials
Lockington, D A
2003-01-01
The absorption of fluid by unsaturated, rigid porous materials may be characterized by the sorptivity. This is a simple parameter to determine and is increasingly being used as a measure of a material's resistance to exposure to fluids (especially moisture and reactive solutes) in aggressive environments. The complete isothermal absorption process is described by a nonlinear diffusion equation, with the hydraulic diffusivity being a strongly nonlinear function of the degree of saturation of the material. This diffusivity can be estimated from the sorptivity test. In a typical test the cumulative absorption is proportional to the square root of time. However, a number of researchers have observed deviation from this behaviour when the infiltrating fluid is water and there is some potential for chemo-mechanical interaction with the material. In that case the current interpretation of the test and estimation of the hydraulic diffusivity is no longer appropriate. Kuentz and Lavallee (2001) discuss the anomalous b...
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.
Directory of Open Access Journals (Sweden)
Tao eLi
2016-02-01
Full Text Available The stimulating effect of diffuse light on radiation use efficiency (RUE of crops is often explained by the more homogeneous spatial light distribution, while rarely considering differences in temporal light distribution at leaf level. This study investigated whether diffuse light effects on crop RUE can be explained by dynamic responses of leaf photosynthesis to temporal changes of photosynthetic photon flux density (PPFD.Two Anthurium andreanum cultivars (‘Pink Champion’ and ‘Royal Champion’ were grown in two glasshouses covered by clear (control and diffuse glass, with similar light transmission. On clear days, diffusing the light resulted in less temporal fluctuations of PPFD. Stomatal conductance (gs varied strongly in response to transient PPFD in ‘Royal Champion’, whereas it remained relatively constant in ‘Pink Champion’. Instantaneous net leaf photosynthesis (Pn in both cultivars approached steady state Pn in diffuse light treatment. In control treatment this only occurred in ‘Pink Champion’. These cultivar differences were reflected by a higher RUE (8% in ‘Royal Champion’ in diffuse light treatment compared with control, whereas no effect on RUE was observed in ‘Pink Champion’. We conclude that the stimulating effect of diffuse light on RUE depends on the stomatal response to temporal PPFD fluctuations, which response is cultivar dependent.
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
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...
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…
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.
Theory of the propagation dynamics of spiral edges of diffusion flames in von Karman swirling flows
Energy Technology Data Exchange (ETDEWEB)
Urzay, Javier; Williams, Forman A. [Department of Mechanical and Aerospace Engineering, University of California San Diego, La Jolla, CA 92093-0411 (United States); Nayagam, Vedha [National Center for Space Exploration Research, NASA Glenn Research Center, Cleveland, OH 44135 (United States)
2011-02-15
This analysis addresses the propagation of spiral edge flames found in von Karman swirling flows induced in rotating porous-disk burners. In this configuration, a porous disk is spun at a constant angular velocity in an otherwise quiescent oxidizing atmosphere. Gaseous methane is injected through the disk pores and burns in a flat diffusion flame adjacent to the disk. Among other flame patterns experimentally found, a stable, rotating spiral flame is observed for sufficiently large rotation velocities and small fuel flow rates as a result of partial extinction of the underlying diffusion flame. The tip of the spiral can undergo a steady rotation for sufficiently large rotational velocities or small fuel flow rates, whereas a meandering tip in an epicycloidal trajectory is observed for smaller rotational velocities and larger fuel flow rates. A formulation of this problem is presented in the equidiffusional and thermodiffusive limits within the framework of one-step chemistry with large activation energies. Edge-flame propagation regimes are obtained by scaling analyses of the conservation equations and exemplified by numerical simulations of straight two-dimensional edge flames near a cold porous wall, for which lateral heat losses to the disk and large strains induce extinction of the trailing diffusion flame but are relatively unimportant in the front region, consistent with the existence of the cooling tail found in the experiments. The propagation dynamics of a steadily rotating spiral edge is studied in the large-core limit, for which the characteristic Markstein length is much smaller than the distance from the center at which the spiral tip is anchored. An asymptotic description of the edge tangential structure is obtained, spiral edge shapes are calculated, and an expression is found that relates the spiral rotational velocity to the rest of the parameters. A quasiestatic stability analysis of the edge shows that the edge curvature at extinction in the tip
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.
Energy Technology Data Exchange (ETDEWEB)
Tsili, Athina C., E-mail: a_tsili@yahoo.gr [Department of Radiology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Sylakos, Anastasios, E-mail: anasylakos@yahoo.gr [Department of Urology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Ntorkou, Alexandra, E-mail: alexdorkou@yahoo.com [Department of Radiology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Stavrou, Sotirios, E-mail: s.sotiris@yahoo.gr [Department of Urology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Astrakas, Loukas G., E-mail: astrakas@uoi.gr [Department of Medical Physics, Medical School, University of Ioannina, 45110 Ioannina (Greece); Sofikitis, Nikolaos, E-mail: akrosnin@hotmail.com [Department of Urology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Argyropoulou, Maria I., E-mail: margyrop@cc.uoi.gr [Department of Radiology, Medical School, University of Ioannina, 45110 Ioannina (Greece)
2015-07-15
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{sup 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{sup −3} mm{sup 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{sup −3} mm{sup 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.
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
Anomalous vacuum expectation values
International Nuclear Information System (INIS)
Suzuki, H.
1986-01-01
The anomalous vacuum expectation value is defined as the expectation value of a quantity that vanishes by means of the field equations. Although this value is expected to vanish in quantum systems, regularization in general produces a finite value of this quantity. Calculation of this anomalous vacuum expectation value can be carried out in the general framework of field theory. The result is derived by subtraction of divergences and by zeta-function regularization. Various anomalies are included in these anomalous vacuum expectation values. This method is useful for deriving not only the conformal, chiral, and gravitational anomalies but also the supercurrent anomaly. The supercurrent anomaly is obtained in the case of N = 1 supersymmetric Yang-Mills theory in four, six, and ten dimensions. The original form of the energy-momentum tensor and the supercurrent have anomalies in their conservation laws. But the modification of these quantities to be equivalent to the original one on-shell causes no anomaly in their conservation laws and gives rise to anomalous traces
Temperature dependent anomalous statistics
International Nuclear Information System (INIS)
Das, A.; Panda, S.
1991-07-01
We show that the anomalous statistics which arises in 2 + 1 dimensional Chern-Simons gauge theories can become temperature dependent in the most natural way. We analyze and show that a statistic's changing phase transition can happen in these theories only as T → ∞. (author). 14 refs
Vermorel, Romain; Oulebsir, Fouad; Galliero, Guillaume
2017-09-14
The computation of diffusion coefficients in molecular systems ranks among the most useful applications of equilibrium molecular dynamics simulations. However, when dealing with the problem of fluid diffusion through vanishingly thin interfaces, classical techniques are not applicable. This is because the volume of space in which molecules diffuse is ill-defined. In such conditions, non-equilibrium techniques allow for the computation of transport coefficients per unit interface width, but their weak point lies in their inability to isolate the contribution of the different physical mechanisms prone to impact the flux of permeating molecules. In this work, we propose a simple and accurate method to compute the diffusional transport coefficient of a pure fluid through a planar interface from equilibrium molecular dynamics simulations, in the form of a diffusion coefficient per unit interface width. In order to demonstrate its validity and accuracy, we apply our method to the case study of a dilute gas diffusing through a smoothly repulsive single-layer porous solid. We believe this complementary technique can benefit to the interpretation of the results obtained on single-layer membranes by means of complex non-equilibrium methods.
Directory of Open Access Journals (Sweden)
Rosa Ma Alsina-Pagès
2018-04-01
Full Text Available One of the main aspects affecting the quality of life of people living in urban and suburban areas is the continuous exposure to high road traffic noise (RTN levels. Nowadays, thanks to Wireless Acoustic Sensor Networks (WASN noise in Smart Cities has started to be automatically mapped. To obtain a reliable picture of the RTN, those anomalous noise events (ANE unrelated to road traffic (sirens, horns, people, etc. should be removed from the noise map computation by means of an Anomalous Noise Event Detector (ANED. In Hybrid WASNs, with master-slave architecture, ANED should be implemented in both high-capacity (Hi-Cap and low-capacity (Lo-Cap sensors, following the same principle to obtain consistent results. This work presents an ANED version to run in real-time on μ Controller-based Lo-Cap sensors of a hybrid WASN, discriminating RTN from ANE through their Mel-based spectral energy differences. The experiments, considering 9 h and 8 min of real-life acoustic data from both urban and suburban environments, show the feasibility of the proposal both in terms of computational load and in classification accuracy. Specifically, the ANED Lo-Cap requires around 1 6 of the computational load of the ANED Hi-Cap, while classification accuracies are slightly lower (around 10%. However, preliminary analyses show that these results could be improved in around 4% in the future by means of considering optimal frequency selection.
Alsina-Pagès, Rosa Ma; Alías, Francesc; Socoró, Joan Claudi; Orga, Ferran
2018-04-20
One of the main aspects affecting the quality of life of people living in urban and suburban areas is the continuous exposure to high road traffic noise (RTN) levels. Nowadays, thanks to Wireless Acoustic Sensor Networks (WASN) noise in Smart Cities has started to be automatically mapped. To obtain a reliable picture of the RTN, those anomalous noise events (ANE) unrelated to road traffic (sirens, horns, people, etc.) should be removed from the noise map computation by means of an Anomalous Noise Event Detector (ANED). In Hybrid WASNs, with master-slave architecture, ANED should be implemented in both high-capacity (Hi-Cap) and low-capacity (Lo-Cap) sensors, following the same principle to obtain consistent results. This work presents an ANED version to run in real-time on μ Controller-based Lo-Cap sensors of a hybrid WASN, discriminating RTN from ANE through their Mel-based spectral energy differences. The experiments, considering 9 h and 8 min of real-life acoustic data from both urban and suburban environments, show the feasibility of the proposal both in terms of computational load and in classification accuracy. Specifically, the ANED Lo-Cap requires around 1 6 of the computational load of the ANED Hi-Cap, while classification accuracies are slightly lower (around 10%). However, preliminary analyses show that these results could be improved in around 4% in the future by means of considering optimal frequency selection.
Singh, Anar; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Pandey, Dhananjai
2018-04-01
We report here the relaxor ferroelectric (RFE) behaviour in a multiferroic solid solution system, (Bi1-xBax)(Fe1-xTix)O3, at a critical disorder level of xC ˜ 0.35 in BiFeO3 and 0.65 (i.e., 1-xC = 0.35) in BaTiO3 similar to the 1:2 ratio of Mg2+ and Nb5+ in the canonical RFE Pb(Mg1/3Nb2/3)O3. This Pb-free system, like canonical Pb-based RFEs, does not exhibit macroscopic symmetry breaking and shows only the signatures of ergodicity breaking at Vogel-Fulcher freezing temperature (TVF). The atomic displacement parameters (ADPs) of Fe3+/Ti4+ and O2-, obtained using high wave vector (Q) and high-resolution synchrotron x-ray diffraction data as a function of temperature, show anomalous diffuse peaks in the Curie range. It is shown that the diffuse peak in ADPs is due to softening of the vibrational frequencies of the B-O chain (B = Fe3+/Ti4+ and O = O2-) below the Burns temperature (TB) followed by hardening below the characteristic temperature (T'm), which corresponds to a peak in the dielectric permittivity (ɛ').
Ma, Wanling; Li, Na; Zhao, Weiwei; Ren, Jing; Wei, Mengqi; Yang, Yong; Wang, Yingmei; Fu, Xin; Zhang, Zhuoli; Larson, Andrew C; Huan, Yi
2016-01-01
To clarify diffusion and perfusion abnormalities and evaluate correlation between apparent diffusion coefficient (ADC), MR perfusion and histopathologic parameters of pancreatic cancer (PC). Eighteen patients with PC underwent diffusion-weighted imaging and dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI). Parameters of DCE-MRI and ADC of cancer and non-cancerous tissue were compared. Correlation between the rate constant that represents transfer of contrast agent from the arterial blood into the extravascular extracellular space (K, volume of the extravascular extracellular space per unit volume of tissue (Ve), and ADC of PC and histopathologic parameters were analyzed. The rate constant that represents transfer of contrast agent from the extravascular extracellular space into blood plasma, K, tissue volume fraction occupied by vascular space, and ADC of PC were significantly lower than nontumoral pancreases. Ve of PC was significantly higher than that of nontumoral pancreas. Apparent diffusion coefficient and K values of PC were negatively correlated to fibrosis content and fibroblast activation protein staining score. Fibrosis content was positively correlated to Ve. Apparent diffusion coefficient values and parameters of DCE-MRI can differentiate PC from nontumoral pancreases. There are correlations between ADC, K, Ve, and fibrosis content of PC. Fibroblast activation protein staining score of PC is negatively correlated to ADC and K. Apparent diffusion coefficient, K, and Ve may be feasible to predict prognosis of PC.
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.
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
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.)
Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion
Philip, B.; Wang, Z.; Berrill, M. A.; Birke, M.; Pernice, M.
2014-04-01
The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.
Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion
International Nuclear Information System (INIS)
Philip, B.; Wang, Z.; Berrill, M.A.; Birke, M.; Pernice, M.
2014-01-01
The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton–Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence
Convection and reaction in a diffusive boundary layer in a porous medium: nonlinear dynamics.
Andres, Jeanne Therese H; Cardoso, Silvana S S
2012-09-01
We study numerically the nonlinear interactions between chemical reaction and convective fingering in a diffusive boundary layer in a porous medium. The reaction enhances stability by consuming a solute that is unstably distributed in a gravitational field. We show that chemical reaction profoundly changes the dynamics of the system, by introducing a steady state, shortening the evolution time, and altering the spatial patterns of velocity and concentration of solute. In the presence of weak reaction, finger growth and merger occur effectively, driving strong convective currents in a thick layer of solute. However, as the reaction becomes stronger, finger growth is inhibited, tip-splitting is enhanced and the layer of solute becomes much thinner. Convection enhances the mass flux of solute consumed by reaction in the boundary layer but has a diminishing effect as reaction strength increases. This nonlinear behavior has striking differences to the density fingering of traveling reaction fronts, for which stronger chemical kinetics result in more effective finger merger owing to an increase in the speed of the front. In a boundary layer, a strong stabilizing effect of reaction can maintain a long-term state of convection in isolated fingers of wavelength comparable to that at onset of instability.
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.
Anomalous high-frequency wave activity flux preceding anomalous changes in the Northern polar jet
Nakamura, Mototaka; Kadota, Minoru; Yamane, Shozo
2010-05-01
Anomalous forcing by quasi-geostrophic (QG) waves has been reported as an important forcing factor in the Northern Annular Mode (NAM) in recent literatures. In order to shed a light on the dynamics of the NAM from a different angle, we have examined anomalous behavior of the winter jets in the upper troposphere and stratosphere by focusing our diagnosis on not the anomalous geopotential height (Z) itself, but on the anomalous change in the Z (dZ) between two successive months and preceding transient QG wave activity flux during the cold season. We calculated EOFs of dZ between two successive months at 150hPa for a 46-year period, from 1958 to 2003, using the monthly mean NCEP reanalysis data. We then formed anomaly composites of changes in Z and the zonal velocity (U), as well as the preceding and following wave activity flux, Z, U, and temperature at various heights, for both positive and negative phases of the first EOF. For the wave forcing fields, we adopted the diagnostic system for the three-dimensional QG transient wave activity flux in the zonally-varying three-dimensional mean flow developed by Plumb (1986) with a slight modification in its application to the data. Our choice of the Plumb86 is based on the fact that the winter mean flow in the Northern Hemisphere is characterized by noticeable zonal asymmetry, and has a symbiotic relationship with waves in the extra-tropics. The Plumb86 flux was calculated for high-frequency (period of 2 to 7 days) and low-frequency (period of 10 to 20 days) waves with the ultra-low-frequency (period of 30 days or longer) flow as the reference state for each time frame of the 6 hourly NCEP reanalysis data from 1958 to 2003. By replacing the mean flow with the ultra-low-frequency flow in the application of the Plumb86 formula, the flux fields were calculated as time series at 6 hour intervals. The time series of the wave activity flux was then averaged for each month. The patterns of composited anomalous dZ and dU clearly
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.
Anomalous transport in tokamaks
International Nuclear Information System (INIS)
Wootton, A.J.
1989-01-01
A review is presented of what is known about anomalous transport in tokamaks. It is generally thought that this anomalous transport is the result of fluctuations in various plasma parameters. In the plasma edge detailed measurements of the quantities required to directly determine the fluctuation driven fluxes are available. The total flux of particles is well explained by the measured electrostatic fluctuation driven flux. However, a satisfactory model to explain the origin of the fluctuations has not been identified. The processes responsible for determining the edge energy flux are less clear, but electrostatic convection plays an important part. In the confinement region experimental observations are presently restricted to measurements of density and potential fluctuations and their correlations. The characteristics of the measured fluctuations are discussed and compared with the predictions of various models. Comparisons between measured particle, electron heat and ion heat fluxes, and those fluxes predicted to result from the measured fluctuations, are made. Magnetic fluctuations is discussed
International Nuclear Information System (INIS)
Karmanov, V.A.
1983-01-01
Experimental data are given, the status of anomalon problem is discussed, theoretical approaches to this problem are outlined. Anomalons are exotic objects formed following fragmentation of nuclei-targets under the effect of nuclei - a beam at the energy of several GeV/nucleon. These nuclear fragments have an anomalously large cross section of interaction and respectively, small free path, considerably shorter than primary nuclei have. The experimental daa are obtained in accelerators following irradiation of nuclear emulsions by 16 O, 56 Fe, 40 Ar beams, as well as propane by 12 C beams. The experimental data testify to dependence of fragment free path on the distance L from the point of the fragment formation. A decrease in the fragment free path is established more reliably than its dependence on L. The problem of the anomalon existence cannot be yet considered resolved. Theoretical models suggested for explanation of anomalously large cross sections of nuclear fragment interaction are variable and rather speculative
The Shannon entropy as a measure of diffusion in multidimensional dynamical systems
Giordano, C. M.; Cincotta, P. M.
2018-05-01
In the present work, we introduce two new estimators of chaotic diffusion based on the Shannon entropy. Using theoretical, heuristic and numerical arguments, we show that the entropy, S, provides a measure of the diffusion extent of a given small initial ensemble of orbits, while an indicator related with the time derivative of the entropy, S', estimates the diffusion rate. We show that in the limiting case of near ergodicity, after an appropriate normalization, S' coincides with the standard homogeneous diffusion coefficient. The very first application of this formulation to a 4D symplectic map and to the Arnold Hamiltonian reveals very successful and encouraging results.
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.
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.
International Nuclear Information System (INIS)
Perng, Shiang-Wuu; Horng, Rong-Fang; Wu, Horng-Wen
2017-01-01
Highlights: •We enhance performance of a cylindrical MSR to get higher net power of fuel cell. •We study diffuser angle and length and wall temperature on net power of fuel cell. •We study methanol conversion, hydrogen production, CO of a novel reformer. •Diffuser in catalyst bed upstream raises methanol conversion, hydrogen production. •The MSR raises hydrogen production up to 44.6% and net fuel cell power up to 24.6%. -- Abstract: Proton exchange membrane fuel cells (PEMFC) connected with a methanol steam reformer designed to enhance its performance is considered as a promising future power source. Enhancing the performance of a cylindrical methanol steam reformer due to diffuser effects was then investigated applying three-dimensional computational fluid dynamics by the SIMPLE-C algorithm and an Arrhenius form of reaction model. The effect of the angle and length of the diffuser, and wall temperature have been explored on heat and fluid flow, methanol conversion, hydrogen production, carbon monoxide reduction, as well as estimated net power of fuel cell with the same catalyst volume and entrance condition in a cylindrical methanol steam reformer. The results indicate that the diffuser obviously enhances methanol conversion and hydrogen production of a cylindrical methanol steam reformer. In comparison with a traditional reformer, the reformer with a diffuser of θ d = 6° and L d = 75 mm obtains the maximum enhancement of 22.96% in methanol conversion, 44.62% in hydrogen production, and 24.59% in estimated net power of fuel cell at wall temperature of 250 °C. In addition, the novel reformer with a diffuser of θ d = 9° and L d = 100 mm generates the maximum reduction of 44.17% in CO production at T W = 250 °C.
Cooper, R. F.
2010-12-01
Measurements of redox dynamics in silicate melts and glasses suggest that, for many compositions and for many external environments, the reaction proceeds and is rate-limited by the diffusive flux of divalent-cation network modifiers. Application of ion-backscattering spectrometry either (i) on oxidized or reduced melts (subsequently quenched before analysis) or (ii) on similarly reacted glasses, both of basalt-composition polymerization, demonstrates that the network modifiers move relative to the (first-order-rigid) aluminosilicate network. Thus, the textures associated with such reactions are often surprising, and frequently include metastable or unstable phases and/or spatial compositional differences. This response is only possible if the motion of cations can be decoupled from that of anions. In many cases, decoupling is accomplished by the presence in the melt/glass of transition-metal cations, whose heterovalency creates distortions in the electronic band structure resulting in electronic defects: electron “holes” in the valence band or electrons in the conduction band. (The prevalence of holes or electrons being a function of bulk chemistry and oxygen activity.) These electronic species make the melt/glass a “defect semiconductor.” Because (a) the critical issue in reaction dynamics is the transport coefficient (the product of species mobility and species concentration) and (b) the electronic species are many orders of magnitude more mobile than are the ions, very low concentrations of transition-metal ions are required for flux decoupling. For example, 0.04 at% Fe keeps a magnesium aluminosilicate melt/glass a defect semiconductor down to 800°C [Cook & Cooper, 2000]. Depending on composition, high-temperature melts can see ion species having a high-enough transport coefficient to allow decoupling, e.g., alkali cations in a basaltic melt [e.g., Pommier et al., 2010]. In this presentation, these ideas will be illustrated by examining redox dynamics
DEFF Research Database (Denmark)
Hansen, Flemming Yssing; Criswell, L.; Fuhrmann, D
2004-01-01
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...... 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....
Diffusion in reactor materials
International Nuclear Information System (INIS)
Fedorov, G.B.; Smirnov, E.A.
1984-01-01
The monograph contains a brief description of the principles underlying the theory of diffusion, as well as modern methods of studying diffusion. Data on self-diffusion and diffusion of impurities in a nuclear fuel and fissionable materials (uranium, plutonium, thorium, zirconium, titanium, hafnium, niobium, molybdenum, tungsten, beryllium, etc.) is presented. Anomalous diffusion, diffusion of components, and interdiffusion in binary and ternary alloys were examined. The monograph presents the most recent reference material on diffusion. It is intended for a wide range of researchers working in the field of diffusion in metals and alloys and attempting to discover new materials for application in nuclear engineering. It will also be useful for teachers, research scholars and students of physical metallurgy
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.
Serag, Maged F.; Abadi, Maram; Habuchi, Satoshi
2014-01-01
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.
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)
Four-fermi anomalous dimension with adjoint fermions
Del Debbio, Luigi; Ruano, Carlos Pena
2014-01-01
The four-fermi interaction can play an important role in models of strong dynamical EW sym- metry breaking if the anomalous dimensions of the four-fermi operators become large in the IR. We discuss a number of issues that are relevant for the nonperturbative computation of the four- fermi anomalous dimensions for the SU(2) gauge theory with two flavors of Dirac fermions in the adjoint representation, using a Schrödinger functional formalism.
Directory of Open Access Journals (Sweden)
Yu.V. Buldyhina
2015-09-01
Full Text Available The dynamics of structural and functional state of thyroid gland was studied, as well as the levels of antithyroid antibodies in patients with diffuse toxic goiter (DTG during long-term treatment with thyrostatic agents. Objective of the study — to perform the analysis of changes in the levels of thyrotropin receptor antibodies (TRAbs, antibodies to thyreoproxidase (ATPO at DTG manifestation and during long-term drug therapy, as well as to determine TRAbs levels in relapsing course of disease. Materials and methods. 112 patients with DTG were examined. The duration of the disease at the examination beginning was from 1 month to 15 years. All patients were divided into two groups depending on the DTG duration: the first group consisted of 46 patients with disease duration up to 1 year (3.96 months in average, the second one consisted of 66 patients with disease duration more than 1 year (3.32 years in average. This distribution was specified by desire to study the dynamics of antithyroid antibody levels at disease manifestation and during long-term course of autoimmune process. Results. On the background of thyrostatic therapy, the number of patients with focal thyroid gland formations increased. When analyzing the levels of antithyroid antibodies at baseline, it was revealed that ATPO level in both groups of patients with DTG significantly exceeded the performance of the control group (group1 — 283.33 ± 86.61 U/ml vs 35.65 ± 4.90 U/ml; group 2 — 207.34 ± 42.52 U/ml vs 35.65 ± ± 4.90 U/ml and did not depend on disease duration and preliminary treatment duration. In 6 months of treatment, the level of ATPO in both groups was not decreased. The study of TRAbs dynamics during thyrostatic therapy revealed that in patients of the first and second groups, the decrease of TRAbs level was noted only 6–12 months after the start of thyrostatic therapy (group 1 — from 17.19 ± 2.17 IU/l to 6.95 ± 2.39 IU/l, p < 0.05; group 2 — from 14
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
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
International Nuclear Information System (INIS)
Upadhyay, Ranjit Kumar; Kumari, Nitu; Rai, Vikas
2009-01-01
In this paper, dynamical complexities in two reaction-diffusion (RD) model systems are explored. A spatial heterogeneity in the form of linear spatial gradient in the reproductive growth rate of the phytoplankton is incorporated in both the model systems. Extra mortality of the zooplankton due to toxin production by the phytoplankton is included in the second reaction diffusion model system. Effect of toxin production and spatial heterogeneity in the model systems are studied. Toxin production does not seem to have an appreciable effect on the asymptotic dynamics of the model systems. On the other hand, spatial heterogeneity does influence the dynamics. In particular, it increases the frequency of occurrence of chaos as evident from two dimensional parameter scans. Both these model systems display short term recurrent chaos [Rai V. Chaos in natural populations: edge or wedge? Ecol Complex 2004;1: 127-38] as they reside on 'edges of chaos' (EOC) [Rai V, Upadhyay RK. Evolving to the edge of chaos: chance or necessity? Chaos, Solitons and Fractals 2006;30:1074-87]. This suggests that the ecological systems have a tendency to evolve to EOC. The study corroborates the inferences drawn from an earlier study by Rai and Upadhyay [Rai V, Upadhyay RK. Evolving to the edge of chaos: chance or necessity? Chaos, Solitons and Fractals 2006;30:1074-87]. The system's dynamics is largely unpredictable and admits bursts of short-term predictability.
Directory of Open Access Journals (Sweden)
Hironobu Saito
2018-06-01
Full Text Available Dynamics of solvent molecules restricted in poly (acryl amide gels immersed in solvent mixtures of acetone–, 1,4-dioxane–, and dimethyl sulfoxide–water were analyzed by the time domain reflectometry method of dielectric spectroscopy and the pulse field gradient method of nuclear magnetic resonance. Restrictions of dynamic behaviors of solvent molecules were evaluated from relaxation parameters such as the relaxation time, its distribution parameter, and the relaxation strength obtained by dielectric measurements, and similar behaviors with polymer concentration dependences for the solutions were obtained except for the high polymer concentration in collapsed gels. Scaling analyses for the relaxation time and diffusion coefficient respectively normalized by those for bulk solvent suggested that the scaling exponent determined from the scaling variable defined as a ratio of the size of solvent molecule to mesh size of polymer networks were three and unity, respectively, except for collapsed gels. The difference in these components reflects characteristic molecular interactions in the rotational and translational diffusions, and offered a physical picture of the restriction of solvent dynamics. A universal treatment of slow dynamics due to the restriction from polymer chains suggests a new methodology of characterization of water structures.
National Research Council Canada - National Science Library
James, William F
2009-01-01
...) concentration in large river systems. However, in-stream processes such as equilibrium P flux from suspended sediment and diffusive P flux from deposited sediment stored in river channels may also play a role in soluble P control...
Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes.
Kondratyuk, Nikolay D; Norman, Genri E; Stegailov, Vladimir V
2016-11-28
Diffusion is one of the key subjects of molecular modeling and simulation studies. However, there is an unresolved lack of consistency between Einstein-Smoluchowski (E-S) and Green-Kubo (G-K) methods for diffusion coefficient calculations in systems of complex molecules. In this paper, we analyze this problem for the case of liquid n-triacontane. The non-conventional long-time tails of the velocity autocorrelation function (VACF) are found for this system. Temperature dependence of the VACF tail decay exponent is defined. The proper inclusion of the long-time tail contributions to the diffusion coefficient calculation results in the consistency between G-K and E-S methods. Having considered the major factors influencing the precision of the diffusion rate calculations in comparison with experimental data (system size effects and force field parameters), we point to hydrogen nuclear quantum effects as, presumably, the last obstacle to fully consistent n-alkane description.
Gallium surface diffusion on GaAs (001) surfaces measured by crystallization dynamics of Ga droplets
International Nuclear Information System (INIS)
Bietti, Sergio; Somaschini, Claudio; Esposito, Luca; Sanguinetti, Stefano; Fedorov, Alexey
2014-01-01
We present accurate measurements of Ga cation surface diffusion on GaAs surfaces. The measurement method relies on atomic force microscopy measurement of the morphology of nano–disks that evolve, under group V supply, from nanoscale group III droplets, earlier deposited on the substrate surface. The dependence of the radius of such nano-droplets on crystallization conditions gives direct access to Ga diffusion length. We found an activation energy for Ga on GaAs(001) diffusion E A =1.31±0.15 eV, a diffusivity prefactor of D 0 = 0.53(×2.1±1) cm 2 s −1 that we compare with the values present in literature. The obtained results permit to better understand the fundamental physics governing the motion of group III ad–atoms on III–V crystal surfaces and the fabrication of designable nanostructures.
Cerbino, Roberto; Sun, Yifei; Donev, Aleksandar; Vailati, Alberto
2015-09-30
Diffusion processes are widespread in biological and chemical systems, where they play a fundamental role in the exchange of substances at the cellular level and in determining the rate of chemical reactions. Recently, the classical picture that portrays diffusion as random uncorrelated motion of molecules has been revised, when it was shown that giant non-equilibrium fluctuations develop during diffusion processes. Under microgravity conditions and at steady-state, non-equilibrium fluctuations exhibit scale invariance and their size is only limited by the boundaries of the system. In this work, we investigate the onset of non-equilibrium concentration fluctuations induced by thermophoretic diffusion in microgravity, a regime not accessible to analytical calculations but of great relevance for the understanding of several natural and technological processes. A combination of state of the art simulations and experiments allows us to attain a fully quantitative description of the development of fluctuations during transient diffusion in microgravity. Both experiments and simulations show that during the onset the fluctuations exhibit scale invariance at large wave vectors. In a broader range of wave vectors simulations predict a spinodal-like growth of fluctuations, where the amplitude and length-scale of the dominant mode are determined by the thickness of the diffuse layer.
Fickian dispersion is anomalous
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.
Anomalous photoconductivity of ferrocene
Energy Technology Data Exchange (ETDEWEB)
Chakraborty, A K [Indian Association for the Cultivation of Science, Calcutta (India). Dept. of Spectroscopy; Mallik, B [Indian Association for the Cultivation of Science, Calcutta (India). Dept. of Spectroscopy
1995-08-15
Photoconductivity behaviour of ferrocene, a very useful metallo-organic sandwich compound, has been investigated at different constant temperatures using powdery material in a sandwich type of cell configuration and with the exposure of a polychromatic light source (mercury lamp of 125 W). Measurements with a constant d.c. bias voltage (27 V) across the sample cell and a fixed intensity of the exciting light source have shown a drastic change in the photocurrent versus time profile with the increase in temperature. Anomalous changes have been observed in the plot of the photocurrent versus reciprocal of temperature. Such changes are completely absent in the corresponding dark current behaviour. The photoinduced changes have been observed to be almost reversible in the entire temperature range. In a particular temperature range the reversibility of photocurrent is accompanied by fluctuations in equilibrium current obtained after switching off the light source. The observed anomalous changes in photocurrent have been explained by photoinduced phase transition in ferrocene. The possible origin and implications of this photoinduced phase transition are discussed. (orig.)
Diffusion-advection within dynamic biological gaps driven by structural motion
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.
Danel, J.-F.; Kazandjian, L.; Zérah, G.
2012-06-01
Computations of the self-diffusion coefficient and viscosity in warm dense matter are presented with an emphasis on obtaining numerical convergence and a careful evaluation of the standard deviation. The transport coefficients are computed with the Green-Kubo relation and orbital-free molecular dynamics at the Thomas-Fermi-Dirac level. The numerical parameters are varied until the Green-Kubo integral is equal to a constant in the t→+∞ limit; the transport coefficients are deduced from this constant and not by extrapolation of the Green-Kubo integral. The latter method, which gives rise to an unknown error, is tested for the computation of viscosity; it appears that it should be used with caution. In the large domain of coupling constant considered, both the self-diffusion coefficient and viscosity turn out to be well approximated by simple analytical laws using a single effective atomic number calculated in the average-atom model.
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.
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)
Dependence of O{sub 2} diffusion dynamics on pressure and temperature in silica nanoparticles
Energy Technology Data Exchange (ETDEWEB)
Iovino, G., E-mail: giuseppe.iovino@unipa.it; Agnello, S., E-mail: simonpietro.agnello@unipa.it; Gelardi, F. M., E-mail: franco.gelardi@unipa.it [University of Palermo, Department of Physics and Chemistry (Italy)
2013-10-15
An experimental study of the molecular O{sub 2} diffusion process in high purity non-porous silica nanoparticles having 50 m{sup 2}/g BET specific surface and 20 nm average radius was carried out in the temperature range from 127 to 177 Degree-Sign C at O{sub 2} pressure in the range from 0.2 to 66 bar. The study was performed by measuring the volume average interstitial O{sub 2} concentration by a Raman and photoluminescence technique using a 1,064 nm excitation laser to detect the singlet to triplet emission at 1,272 nm of the molecular oxygen in silica. A dependence of the diffusion kinetics on the O{sub 2} absolute pressure, in addition to temperature dependence, was found. The kinetics can be fit by the solution of Fick's diffusion equation using an effective diffusion coefficient related to temperature and O{sub 2} external pressure. The fit results have evidenced that the temperature and pressure dependencies can be disentangled and that the pressure effects are more pronounced at lower temperatures. An Arrhenius temperature law is determined for the effective diffusion coefficient and the activation energy and pre-exponential factor are found in the explored experimental range. The reported findings have not been evidenced previously in the studies in bulk silica and could probably be originated by the reduced spatial extension of the considered system.
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.
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)
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...
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.
Anomalous growth of Ba on Ag(111)
International Nuclear Information System (INIS)
Teodoro, O.M.N.D.; Los, J.; Moutinho, A.M.C.
2002-01-01
Electropositive elements are often adsorbed on metals to produce a well-known decrease in the surface work function. During deposition, the work function drops steeply and reaches a minimum at coverage lower than one monolayer. Then, it increases slightly and the work function converges to the value of the deposited element. In this work, we report anomalous behavior found during the deposition of barium on a Ag(111) surface. After a minimum of about 2.4 eV the work function did not increase up to 2.7 eV, the bulk barium work function, no matter what amount of barium was deposited. Auger electron spectroscopy corroborated these results in which we measured a permanent and constant intensity of the Ag MNN peak for high barium coverage. To explain this anomalous growth of barium on Ag(111) we propose an explanation based on the diffusion of silver atoms into the barium film. Further experiments showed that coadsorption of oxygen before a second deposition of barium blocked the diffusion thus allowing the work function to reach 2.7 eV
Effect of the initial domain on the dispersion dynamics of a diffusing substance
Bestuzheva, A. N.; Smirnov, A. L.
2018-05-01
The formulation and analysis of ecological problems involves the mathematical modeling, when some assumptions concerning the nature of the processes are introduced. These assumptions must be justified. In the present paper the effect of the form of the initial domain occupied with a diffusing substance on the process of diffusion is studied. It's shown that the form of the initial domain plays unimportant role and it may be modeled as semi-sphere, for which the problem has analytical solution. That solution may serves as the zeroth approximation in modeling of actual ecological problem taking into account the relief of the bottom and the bottom currents.
A classical picture of anomalous effects in a tokamak
International Nuclear Information System (INIS)
Hirano, K.
1984-01-01
It is demonstrated that the atomic collisions between plasma ions and a very small amount of neutral particles remaining in a hot plasma plays a very important role for plasma transports and may be an origin of anomalous effects observed in a tokamak such as the diffusion coefficient independent of the field strength, a rapid plasma density increase during gas puffing and current penetration with anomalously high speed in the start-up phase. The Ohm's law derived by Cowling is used for the analysis. (author)
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...
Ferragut, Erik M.; Laska, Jason A.; Bridges, Robert A.
2016-06-07
A system is described for receiving a stream of events and scoring the events based on anomalousness and maliciousness (or other classification). The system can include a plurality of anomaly detectors that together implement an algorithm to identify low-probability events and detect atypical traffic patterns. The anomaly detector provides for comparability of disparate sources of data (e.g., network flow data and firewall logs.) Additionally, the anomaly detector allows for regulatability, meaning that the algorithm can be user configurable to adjust a number of false alerts. The anomaly detector can be used for a variety of probability density functions, including normal Gaussian distributions, irregular distributions, as well as functions associated with continuous or discrete variables.
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......-limited conditions K(trans) equals the blood plasma flow per unit volume of tissue; under permeability-limited conditions K(trans) equals the permeability surface area product per unit volume of tissue. We relate these quantities to previously published work from our groups; our future publications will refer...
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
Novel diffusion cell for in vitro transdermal permeation, compatible with automated dynamic sampling
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
The dynamics of incentive contracting: The role of learning in the diffusion process
Bol, J.; Moers, F.
2010-01-01
Research shows that innovations diffuse gradually rather than rapidly, because their usefulness is not immediately apparent to some adopters. These adopters need to learn about the value of the innovation prior to adoption. Although the importance of learning is recognized in most analytical
International Nuclear Information System (INIS)
Zhao Xinyu; Jing Jun; Corn, Brittany; Yu Ting
2011-01-01
Non-Markovian dynamics is studied for two interacting qubits strongly coupled to a dissipative bosonic environment. We derive a non-Markovian quantum-state-diffusion (QSD) equation for the coupled two-qubit system without any approximations, and in particular, without the Markov approximation. As an application and illustration of our derived time-local QSD equation, we investigate the temporal behavior of quantum coherence dynamics. In particular, we find a strongly non-Markovian regime where entanglement generation is significantly modulated by the environmental memory. Additionally, we study residual entanglement in the steady state by analyzing the steady-state solution of the QSD equation. Finally, we discuss an approximate QSD equation.
International Nuclear Information System (INIS)
Jost, Sarah C.; Ackerman, Joseph W.; Garbow, Joel R.; Manwaring, Linda P.; Gutmann, David H.; McKinstry, Robert C.
2008-01-01
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 μm 2 /ms and mean permeability values of 2.10 ml/min per 100 cm 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.)
Multi-charge-state molecular dynamics and self-diffusion coefficient in the warm dense matter regime
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.
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.
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.
Dynamics of embedded curves by doubly-nonlocal reaction-diffusion systems
von Brecht, James H.; Blair, Ryan
2017-11-01
We study a class of nonlocal, energy-driven dynamical models that govern the motion of closed, embedded curves from both an energetic and dynamical perspective. Our energetic results provide a variety of ways to understand physically motivated energetic models in terms of more classical, combinatorial measures of complexity for embedded curves. This line of investigation culminates in a family of complexity bounds that relate a rather broad class of models to a generalized, or weighted, variant of the crossing number. Our dynamic results include global well-posedness of the associated partial differential equations, regularity of equilibria for these flows as well as a more detailed investigation of dynamics near such equilibria. Finally, we explore a few global dynamical properties of these models numerically.
Diffusive Spin Dynamics in Ferromagnetic Thin Films with a Rashba Interaction
Wang, Xuhui; Manchon, Aurelien
2012-01-01
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.
Diffusive Spin Dynamics in Ferromagnetic Thin Films with a Rashba Interaction
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.
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.
Phase transitions, melting dynamics, and solid-state diffusion in a nano test tube.
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.
Energy Technology Data Exchange (ETDEWEB)
Agusdinata, Datu Buyung, E-mail: bagusdinata@niu.edu; Amouie, Mahbod [Northern Illinois University, Department of Industrial & Systems Engineering and Environment, Sustainability, & Energy Institute (United States); Xu, Tao [Northern Illinois University, Department of Chemistry and Biochemistry (United States)
2015-01-15
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{sup 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{sup 2+} ions under different values of proxy environmental factor parameters. With the only chemistry considered was oxidation, the simulation was able to replicate Cd{sup 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{sup 2+} ions and complexity of tracking of individual atoms of Cd at the same time.
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
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.
Dynamics of the connectome in Huntington's disease: A longitudinal diffusion MRI study
Odish, Omar F.F.; Caeyenberghs, Karen; Hosseini, Hadi; van den Bogaard, Simon J.A.; Roos, Raymund A.C.; Leemans, Alexander
2015-01-01
Abstract Objectives To longitudinally investigate the connectome in different stages of Huntington's disease (HD) by applying graph theoretical analysis to diffusion MRI data. Experimental design We constructed weighted structural networks and calculated their topological properties. Twenty-two premanifest (preHD), 10 early manifest HD and 24 healthy controls completed baseline and 2 year follow-up scans. We stratified the preHD group based on their predicted years to disease onset into a far...
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
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.
Carrier Decay and Diffusion Dynamics in Single-Crystalline CdTe as seen via Microphotoluminescence
Mascarenhas, Angelo; Fluegel, Brian; Alberi, Kirstin; Zhang, Yong-Hang
2015-03-01
The ability to spatially resolve the degree to which extended defects impact carrier diffusion lengths and lifetimes is important for determining upper limits for defect densities in semiconductor devices. We show that a new spatially and temporally resolved photoluminescence (PL) imaging technique can be used to accurately extract carrier lifetimes in the immediate vicinity of dark-line defects in CdTe/MgCdTe double heterostructures. A series of PL images captured during the decay process show that extended defects with a density of 1.4x10-5 cm-2 deplete photogenerated charge carriers from the surrounding semiconductor material on a nanosecond time scale. The technique makes it possible to elucidate the interplay between nonradiative carrier recombination and carrier diffusion and reveals that they both combine to degrade the PL intensity over a fractional area that is much larger than the physical size of the defects. Carrier lifetimes are correctly determined from numerical simulations of the decay behavior by taking these two effects into account. Our study demonstrates that it is crucial to measure and account for the influence of local defects in the measurement of carrier lifetime and diffusion, which are key transport parameters for the design and modeling of advanced solar-cell and light-emitting devices. We acknowledge the financial support of the Department of Energy Office of Science under Grant No. DE-AC36-08GO28308.
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)
International Nuclear Information System (INIS)
Mahieu, Nathalie
1992-01-01
The work reported in this research thesis aimed at characterizing micellar phases formed by some surfactants (sodium carboxylates) in aqueous solution. After some recalls on nuclear magnetic resonance dealing with spin relaxation (longitudinal relaxation, transverse relaxation, relaxation in the rotating coordinate system, and crossed relaxation), and comments on the dipolar mechanism responsible of relaxation phenomena, the author presents the methods used for relaxation parameter measurement and the data processing software issued from experiments. He presents experiments which allowed the self-diffusion coefficient to be measured, reports data processing, and addresses problems of special diffusion and of coherence transfers during diffusion measurements. Results of proton relaxation measurements are then presented and discussed. They are used to determine the micellar state of the studied carboxylates. The case of the oleate is also addressed. Measurements of carbon-13 relaxation times are reported, and exploited in terms of structural parameters by using the Relaxator software. An original method of the hetero-nuclear Overhauser method is presented, and used to assess the average distance between water molecules and micelle surface [fr
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.
Sigmund, E E; Baete, S H; Luo, T; Patel, K; Wang, D; Rossi, I; Duarte, A; Bruno, M; Mossa, D; Femia, A; Ramachandran, S; Stoffel, D; Babb, J S; Franks, A; Bencardino, J
2018-06-04
Dermatomyositis (DM) is an idiopathic inflammatory myopathy involving severe debilitation in need of diagnostics. We evaluated the proximal lower extremity musculature with diffusion tensor imaging (DTI), intravoxel incoherent motion (IVIM) and dynamic DTI in DM patients and controls and compared with standard clinical workup. METHODS: In this IRB-approved, HIPAA-compliant study with written informed consent, anatomical, Dixon fat/water and diffusion imaging were collected in bilateral thigh MRI of 22 controls and 27 DM patients in a 3T scanner. Compartments were scored on T1/T2 scales. Single voxel dynamic DTI metrics in quadriceps before and after 3-min leg exercise were measured. Spearman rank correlation and mixed model analysis of variance/covariance (ANOVA/ANCOVA) were used to correlate with T1 and T2 scores and to compare patients with controls. DM patients showed significantly lower pseudo-diffusion and volume in quadriceps than controls. All subjects showed significant correlation between T1 score and signal-weighted fat fraction; tissue diffusion and pseudo-diffusion varied significantly with T1 and T2 score in patients. Radial and mean diffusion exercise response in patients was significantly higher than controls. Static and dynamic diffusion imaging metrics show correlation with conventional imaging scores, reveal spatial heterogeneity, and provide means to differentiate dermatomyositis patients from controls. • Diffusion imaging shows regional differences between thigh muscles of dermatomyositis patients and controls. • Signal-weighted fat fraction and diffusion metrics correlate with T1/T2 scores of disease severity. • Dermatomyositis patients show significantly higher radial diffusion exercise response than controls.
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
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.
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...... fluctuation theory and molecular dynamics scheme exhibit consistent trends and average deviations from experimental data around 10-20%. (c) 2004 Elsevier B.V. All rights reserved....
Anomalous spreading behaviour of polyethyleneglycoldistearate ...
Indian Academy of Sciences (India)
Unknown
Anomalous behaviour; polythyleneglycoldistearate; air/water interface; ... distinguished these monolayer states in terms of molecular ordering, including the .... It has been found that the compressibilities of the materials in the condensed phase.
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.
Unparticles and anomalous dimensions in the cuprates
Energy Technology Data Exchange (ETDEWEB)
Karch, Andreas [Department of Physics, University of Washington,3910 15th Ave. NE, Seattle, WA 98195-1560 (United States); Limtragool, Kridsanaphong; Phillips, Philip W. [Department of Physics and Institute for Condensed Matter Theory, University of Illinois,1110 W. Green Street, Urbana, IL 61801 (United States)
2016-03-25
Motivated by the overwhelming evidence some type of quantum criticality underlies the power-law for the optical conductivity and T−linear resistivity in the cuprates, we demonstrate here how a scale-invariant or unparticle sector can lead to a unifying description of the observed scaling forms. We adopt the continuous mass formalism or multi band (flavor) formalism of the unparticle sector by letting various microscopic parameters be mass-dependent. In particular, we show that an effective mass that varies with the flavor index as well as a running band edge and lifetime capture the AC and DC transport phenomenology of the cuprates. A key consequence of the running mass is that the effective dynamical exponent can differ from the underlying bare critical exponent, thereby providing a mechanism for realizing the fractional values of the dynamical exponent required in a previous analysis http://dx.doi.org/10.1103/PhysRevB.91.155126. We also predict that regardless of the bare dynamical exponent, z, a non-zero anomalous dimension for the current is required. Physically, the anomalous dimension arises because the charge depends on the flavor, mass or energy. The equivalent phenomenon in a d+1 gravitational construction is the running of the charge along the radial direction. The nature of the superconducting instability in the presence of scale invariant stuff shows that the transition temperature is not necessarily a monotonic function of the pairing interaction.
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
From gas dynamics with large friction to gradient flows describing diffusion theories
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.
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.
From gas dynamics with large friction to gradient flows describing diffusion theories
Lattanzio, Corrado; Tzavaras, Athanasios
2016-01-01
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.
Anomalous Price Impact and the Critical Nature of Liquidity in Financial Markets
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.
Anomalous Price Impact and the Critical Nature of Liquidity in Financial Markets
Directory of Open Access Journals (Sweden)
B. Tóth
2011-10-01
Full Text Available We propose a dynamical theory of market liquidity that predicts that the average supply/demand profile is V shaped and vanishes around the current price. This result is generic, and only relies on mild assumptions about the order flow and on the fact that prices are, to a first approximation, diffusive. This naturally accounts for two striking stylized facts: First, large metaorders have to be fragmented in order to be digested by the liquidity funnel, which leads to a long memory in the sign of the order flow. Second, the anomalously small local liquidity induces a breakdown of the linear response and a diverging impact of small orders, explaining the “square-root” impact law, for which we provide additional empirical support. Finally, we test our arguments quantitatively using a numerical model of order flow based on the same minimal ingredients.
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
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
Dynamics of an optically confined nanoparticle diffusing normal to a surface.
Schein, Perry; O'Dell, Dakota; Erickson, David
2016-06-01
Here we measure the hindered diffusion of an optically confined nanoparticle in the direction normal to a surface, and we use this to determine the particle-surface interaction profile in terms of the absolute height. These studies are performed using the evanescent field of an optically excited single-mode silicon nitride waveguide, where the particle is confined in a height-dependent potential energy well generated from the balance of optical gradient and surface forces. Using a high-speed cmos camera, we demonstrate the ability to capture the short time-scale diffusion dominated motion for 800-nm-diam polystyrene particles, with measurement times of only a few seconds per particle. Using established theory, we show how this information can be used to estimate the equilibrium separation of the particle from the surface. As this measurement can be made simultaneously with equilibrium statistical mechanical measurements of the particle-surface interaction energy landscape, we demonstrate the ability to determine these in terms of the absolute rather than relative separation height. This enables the comparison of potential energy landscapes of particle-surface interactions measured under different experimental conditions, enhancing the utility of this technique.
Model of chromosomal loci dynamics in bacteria as fractional diffusion with intermittent transport
Gherardi, Marco; Calabrese, Ludovico; Tamm, Mikhail; Cosentino Lagomarsino, Marco
2017-10-01
The short-time dynamics of bacterial chromosomal loci is a mixture of subdiffusive and active motion, in the form of rapid relocations with near-ballistic dynamics. While previous work has shown that such rapid motions are ubiquitous, we still have little grasp on their physical nature, and no positive model is available that describes them. Here, we propose a minimal theoretical model for loci movements as a fractional Brownian motion subject to a constant but intermittent driving force, and compare simulations and analytical calculations to data from high-resolution dynamic tracking in E. coli. This analysis yields the characteristic time scales for intermittency. Finally, we discuss the possible shortcomings of this model, and show that an increase in the effective local noise felt by the chromosome associates to the active relocations.
Liu, Zhaocheng; Chen, Shuqi; Li, Jianxiong; Cheng, Hua; Li, Zhancheng; Liu, Wenwei; Yu, Ping; Xia, Ji; Tian, Jianguo
2014-12-01
We present a method of fully interferometric, controllable anomalous refraction efficiency by introducing cross-modulated incident light based on plasmonic metasurfaces. Theoretical analyses and numerical simulations indicate that the anomalous and ordinary refracted beams generated from two opposite-helicity incident beams and following the generalized Snell's law will have a superposition for certain incident angles, and the anomalous refraction efficiency can be dynamically controlled by changing the relative phase of the incident sources. As the incident wavelength nears the resonant wavelength of the plasmonic metasurfaces, two equal-amplitude incident beams with opposite helicity can be used to control the anomalous refraction efficiency. Otherwise, two unequal-amplitude incident beams with opposite helicity can be used to fully control the anomalous refraction efficiency. This Letter may offer a further step in the development of controllable anomalous refraction.
Energy Technology Data Exchange (ETDEWEB)
Burda, Zdzislaw, E-mail: zdzislaw.burda@agh.edu.pl [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, PL-30059 Kraków (Poland); Grela, Jacek, E-mail: jacekgrela@gmail.com [M. Smoluchowski Institute of Physics and Mark Kac Complex Systems Research Centre, Jagiellonian University, PL-30348 Kraków (Poland); Nowak, Maciej A., E-mail: nowak@th.if.uj.edu.pl [M. Smoluchowski Institute of Physics and Mark Kac Complex Systems Research Centre, Jagiellonian University, PL-30348 Kraków (Poland); Tarnowski, Wojciech, E-mail: wojciech.tarnowski@uj.edu.pl [M. Smoluchowski Institute of Physics and Mark Kac Complex Systems Research Centre, Jagiellonian University, PL-30348 Kraków (Poland); Warchoł, Piotr, E-mail: piotr.warchol@uj.edu.pl [M. Smoluchowski Institute of Physics and Mark Kac Complex Systems Research Centre, Jagiellonian University, PL-30348 Kraków (Poland)
2015-08-15
Following our recent letter, we study in detail an entry-wise diffusion of non-hermitian complex matrices. We obtain an exact partial differential equation (valid for any matrix size N and arbitrary initial conditions) for evolution of the averaged extended characteristic polynomial. The logarithm of this polynomial has an interpretation of a potential which generates a Burgers dynamics in quaternionic space. The dynamics of the ensemble in the large N limit is completely determined by the coevolution of the spectral density and a certain eigenvector correlation function. This coevolution is best visible in an electrostatic potential of a quaternionic argument built of two complex variables, the first of which governs standard spectral properties while the second unravels the hidden dynamics of eigenvector correlation function. We obtain general formulas for the spectral density and the eigenvector correlation function for large N and for any initial conditions. We exemplify our studies by solving three examples, and we verify the analytic form of our solutions with numerical simulations.
Zhang, Yanqi; Yin, Guoyan; Zhao, Huijuan; Ma, Wenjuan; Gao, Feng; Zhang, Limin
2018-02-01
Real-time and continuous monitoring of drug release in vivo is an important task in pharmaceutical development. Here, we devoted to explore a real-time continuous study of the pharmacokinetics of free indocyanine green (ICG) and ICG loaded in the shell-sheddable nanoparticles in tumor based on a dynamic diffuse fluorescence tomography (DFT) system: A highly-sensitive dynamic DFT system of CT-scanning mode generates informative and instantaneous sampling datasets; An analysis procedure extracts the pharmacokinetic parameters from the reconstructed time curves of the mean ICG concentration in tumor, using the Gauss-Newton scheme based on two-compartment model. Compared with the pharmacokinetic parameters of free ICG in tumor, the ICG loaded in the shell-sheddable nanoparticles shows efficient accumulation in tumor. The results demonstrate our proposed dynamic-DFT can provide an integrated and continuous view of the drug delivery of the injected agents in different formulations, which is helpful for the development of diagnosis and therapy for tumors.
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.
Lizana, L; Ambjörnsson, T
2009-11-01
We solve a nonequilibrium statistical-mechanics problem exactly, namely, the single-file dynamics of N hard-core interacting particles (the particles cannot pass each other) of size Delta diffusing in a one-dimensional system of finite length L with reflecting boundaries at the ends. We obtain an exact expression for the conditional probability density function rhoT(yT,t|yT,0) that a tagged particle T (T=1,...,N) is at position yT at time t given that it at time t=0 was at position yT,0. Using a Bethe ansatz we obtain the N -particle probability density function and, by integrating out the coordinates (and averaging over initial positions) of all particles but particle T , we arrive at an exact expression for rhoT(yT,t|yT,0) in terms of Jacobi polynomials or hypergeometric functions. Going beyond previous studies, we consider the asymptotic limit of large N , maintaining L finite, using a nonstandard asymptotic technique. We derive an exact expression for rhoT(yT,t|yT,0) for a tagged particle located roughly in the middle of the system, from which we find that there are three time regimes of interest for finite-sized systems: (A) for times much smaller than the collision time tparticle concentration and D is the diffusion constant for each particle, the tagged particle undergoes a normal diffusion; (B) for times much larger than the collision time t >taucoll but times smaller than the equilibrium time ttaue , rhoT(yT,t|yT,0) approaches a polynomial-type equilibrium probability density function. Notably, only regimes (A) and (B) are found in the previously considered infinite systems.
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
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
Effects of surface and interface scattering on anomalous Hall effect in Co/Pd multilayers
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.
An analysis of hydrated proton diffusion in ab initio molecular dynamics
Energy Technology Data Exchange (ETDEWEB)
Tse, Ying-Lung Steve; Voth, Gregory A., E-mail: gavoth@uchicago.edu [Department of Chemistry, James Franck Institute, and Computation Institute, University of Chicago, Chicago, Illinois 60637 (United States); Knight, Chris [Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439 (United States)
2015-01-07
A detailed understanding of the inherently multiscale proton transport process raises a number of scientifically challenging questions. For example, there remain many (partially addressed) questions on the molecular mechanism for long-range proton migration and the potential for the formation of long-lived traps giving rise to burst-and-rest proton dynamics. Using results from a sizeable collection of ab initio molecular dynamics (AIMD) simulations (totaling ∼2.7 ns) with various density functional approximations (Becke-Lee-Yang-Parr (BLYP), BLYP–D3, Hamprecht-Cohen-Tozer-Handy, B3LYP) and temperatures (300–330 K), equilibrium and dynamical properties of one excess proton and 128 water molecules are studied. Two features in particular (concerted hops and weak hydrogen-bond donors) are investigated to identify modes in the system that are strongly correlated with the onset of periods of burst-and-rest dynamics. The question of concerted hops seeks to identify those time scales over which long-range proton transport can be classified as a series of sequential water hopping events or as a near-simultaneous concerted process along compressed water wires. The coupling of the observed burst-and-rest dynamics with motions of a fourth neighboring water molecule (a weak hydrogen-bond donor) solvating the protonated water molecule is also investigated. The presence (absence) of hydrogen bonds involving this fourth water molecule before and after successful proton hopping events is found to be strongly correlated with periods of burst (rest) dynamics (and consistent with pre-solvation concepts). By analyzing several realizations of the AIMD trajectories on the 100-ps time scale, convergence of statistics can be assessed. For instance, it was observed that the probability for a fourth water molecule to approach the hydronium, if not already proximal at the beginning of the lifetime of the hydronium, is very low, indicative of the formation of stable void regions
Cluster geometry and survival probability in systems driven by reaction-diffusion dynamics
International Nuclear Information System (INIS)
Windus, Alastair; Jensen, Henrik J
2008-01-01
We consider a reaction-diffusion model incorporating the reactions A→φ, A→2A and 2A→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.
Transnational networks, diffusion dynamics, and electoral revolutions in the postcommunist world
Bunce, Valerie; Wolchik, Sharon L.
2007-05-01
Since 1996, eight elections have taken place in postcommunist Europe and Eurasia that have replaced illiberal with liberal governments. There is ample evidence that these “electoral revolutions” reflected the cross-national diffusion of a distinctive model of regime change that was developed elsewhere and that was designed to promote democratization in authoritarian political contexts featuring semi-competitive elections. This electoral model spread throughout the postcommunist region because of both shared perceptions by opposition groups of similar local conditions and the existence of transnational democracy promotion networks that included local, regional and American participants. As these revolutions spread, however, they were less successful in carrying through democratic change-in part because local conditions were less supportive and in part because authoritarian leaders and their international allies were both forewarned and forearmed.
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.
Dynamics and profiles of a diffusive host-pathogen system with distinct dispersal rates
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.
Diffusion of aqueous solutions of ionic, zwitterionic, and polar solutes
Teng, Xiaojing; Huang, Qi; Dharmawardhana, Chamila Chathuranga; Ichiye, Toshiko
2018-06-01
The properties of aqueous solutions of ionic, zwitterionic, and polar solutes are of interest to many fields. For instance, one of the many anomalous properties of aqueous solutions is the behavior of water diffusion in different monovalent salt solutions. In addition, solutes can affect the stabilities of macromolecules such as proteins in aqueous solution. Here, the diffusivities of aqueous solutions of sodium chloride, potassium chloride, tri-methylamine oxide (TMAO), urea, and TMAO-urea are examined in molecular dynamics simulations. The decrease in the diffusivity of water with the concentration of simple ions and urea can be described by a simple model in which the water molecules hydrogen bonded to the solutes are considered to diffuse at the same rate as the solutes, while the remainder of the water molecules are considered to be bulk and diffuse at almost the same rate as pure water. On the other hand, the decrease in the diffusivity of water with the concentration of TMAO is apparently affected by a decrease in the diffusion rate of the bulk water molecules in addition to the decrease due to the water molecules hydrogen bonded to TMAO. In other words, TMAO enhances the viscosity of water, while urea barely affects it. Overall, this separation of water molecules into those that are hydrogen bonded to solute and those that are bulk can provide a useful means of understanding the short- and long-range effects of solutes on water.
Mutoru, J W; Smith, W; O'Hern, C S; Firoozabadi, A
2013-01-14
Understanding the transport properties of molecular fluids in the critical region is important for a number of industrial and natural systems. In the literature, there are conflicting reports on the behavior of the self diffusion coefficient D(s) in the critical region of single-component molecular systems. For example, D(s) could decrease to zero, reach a maximum, or remain unchanged and finite at the critical point. Moreover, there is no molecular-scale understanding of the behavior of diffusion coefficients in molecular fluids in the critical regime. We perform extensive molecular dynamics simulations in the critical region of single-component fluids composed of medium-chain n-alkanes-n-pentane, n-decane, and n-dodecane-that interact via anisotropic united-atom potentials. For each system, we calculate D(s), and average molecular cluster sizes κ(cl) and numbers N(cl) at various cluster lifetimes τ, as a function of density ρ in the range 0.2ρ(c) ≤ ρ ≤ 2.0ρ(c) at the critical temperature T(c). We find that D(s) decreases with increasing ρ but remains finite at the critical point. Moreover, for any given τ critical point.
Zhu, Xiaolu; Yang, Hao
2017-12-01
The recently emerged four-dimensional (4D) biofabrication technique aims to create dynamic three-dimensional (3D) biological structures that can transform their shapes or functionalities with time when an external stimulus is imposed or when cell postprinting self-assembly occurs. The evolution of 3D pattern of branching geometry via self-assembly of cells is critical for 4D biofabrication of artificial organs or tissues with branched geometry. However, it is still unclear that how the formation and evolution of these branching pattern are biologically encoded. We study the 4D fabrication of lung branching structures utilizing a simulation model on the reaction-diffusion mechanism, which is established using partial differential equations of four variables, describing the reaction and diffusion process of morphogens with time during the development process of lung branching. The simulation results present the forming process of 3D branching pattern, and also interpret the behaviors of side branching and tip splitting as the stalk growing, through 3D visualization of numerical simulation.
Liang, Junshi; Chen, Pengyu; Dong, Bojun; Huang, Zihan; Zhao, Kongyin; Yan, Li-Tang
2016-05-09
Nearly all nanomedical applications of dendrimer-like soft nanoparticles rely on the functionality of attached ligands. Understanding how the ligands interact with the receptors in cell membrane and its further effect on the cellular uptake of dendrimer-like soft nanoparticles is thereby a key issue for their better application in nanomedicine. However, the essential mechanism and detailed kinetics for the ligand-receptor interaction-mediated transmembrane transport of such unconventional nanoparticles remain poorly elucidated. Here, using coarse-grained simulations, we present the very first study of molecular mechanism and kinetics behaviors for the transmembrane transport of dendrimer-like soft nanoparticles conjugated with ligands. A phase diagram of interaction states is constructed through examining ligand densities and membrane tensions that allows us to identify novel endocytosis mechanisms featured by the direct wrapping and the penetration-extraction vesiculation. The results provide an in-depth insight into the diffusivity of receptors and dendrimer in the membrane plane and demonstrate how the ligand density influences receptor diffusion and uptake kinetics. It is interesting to find that the ligand-conjugated dendrimers present superdiffusive behaviors on a membrane, which is revealed to be driven by the random fluctuation dynamics of the membrane. The findings facilitate our understanding of some recent experimental observations and could establish fundamental principles for the future development of such important nanomaterials for widespread nanomedical applications.
Energy Technology Data Exchange (ETDEWEB)
Tarancon, A. [M2E/XaRMAE/IREC, Department of Advanced Materials for Energy Applications, Catalonia Institute for Energy Research (IREC), Josep Pla 2, Torre 2, B2, 08019 Barcelona (Spain); Morata, A.; Peiro, F. [MIND/XaRMAE/IN2UB, Department of Electronics, University of Barcelona, Marti i Franques 1, 08028 Barcelona (Spain); Dezanneau, G. [Laboratoire Structures, Proprietes et Modelisation des Solides, Grande Voie des Vignes, Ecole Centrale Paris, F-92295 Chatenay-Malabry Cedex (France)
2011-02-15
The effect of the dopant distribution on the oxygen diffusion in doped fluorites typically used for solid oxide fuel cells electrolyte applications has been analysed by using molecular dynamics simulations. The oxygen mass transport in both yttria-stabilized zirconia (YSZ) and gadolinia-doped ceria has been studied and compared in the range of temperatures between 1,159 and 1,959 K. A new methodology based on the analysis of local environments is used to describe the diffusion process at an atomic scale. Preferred vacancy migration pathways, most suitable conduction models, energy landscapes and jump efficiency have been detailed for each material. Finally, a particular case of non-random distribution of dopants in YSZ is presented in order to quantitatively evaluate the effect of the dopant pattern on the mass transport properties and the potential of the methodology developed here for understanding and foreseeing real configurations at the nanoscale. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
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.)
International Nuclear Information System (INIS)
Upadhyay, Ranjit Kumar; Kumari, Nitu; Rai, Vikas
2009-01-01
We show that wave of chaos (WOC) can generate two-dimensional time-independent spatial patterns which can be a potential candidate for understanding planktonic patchiness observed in marine environments. These spatio-temporal patterns were obtained in computer simulations of a minimal model of phytoplankton-zooplankton dynamics driven by forces of diffusion. We also attempt to figure out the average lifetimes of these non-linear non-equilibrium patterns. These spatial patterns serve as a realistic model for patchiness found in aquatic systems (e.g., marine and oceanic). Additionally, spatio-temporal chaos produced by bi-directional WOCs is robust to changes in key parameters of the system; e.g., intra-specific competition among individuals of phytoplankton and the rate of fish predation. The ideas contained in the present paper may find applications in diverse fields of human endeavor.
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.)
Molecular dynamics simulations of oxygen vacancy diffusion in SrTiO3
International Nuclear Information System (INIS)
Schie, Marcel; Marchewka, Astrid; Waser, Rainer; Müller, Thomas; De Souza, Roger A
2012-01-01
A classical force-field model with partial ionic charges was applied to study the behaviour of oxygen vacancies in the perovskite oxide strontium titanate (SrTiO 3 ). The dynamical behaviour of these point defects was investigated as a function of temperature and defect concentration by means of molecular dynamics (MD) simulations. The interaction between oxygen vacancies and an extended defect, here a Σ3(111) grain boundary, was also examined by means of MD simulations. Analysis of the vacancy distribution revealed considerable accumulation of vacancies in the envelope of the grain boundary. The possible clustering of oxygen vacancies in bulk SrTiO 3 was studied by means of static lattice calculations within the Mott-Littleton approach. All binary vacancy-vacancy configurations were found to be energetically unfavourable.
Molecular dynamics simulations of oxygen vacancy diffusion in SrTiO3.
Schie, Marcel; Marchewka, Astrid; Müller, Thomas; De Souza, Roger A; Waser, Rainer
2012-12-05
A classical force-field model with partial ionic charges was applied to study the behaviour of oxygen vacancies in the perovskite oxide strontium titanate (SrTiO(3)). The dynamical behaviour of these point defects was investigated as a function of temperature and defect concentration by means of molecular dynamics (MD) simulations. The interaction between oxygen vacancies and an extended defect, here a Σ3(111) grain boundary, was also examined by means of MD simulations. Analysis of the vacancy distribution revealed considerable accumulation of vacancies in the envelope of the grain boundary. The possible clustering of oxygen vacancies in bulk SrTiO(3) was studied by means of static lattice calculations within the Mott-Littleton approach. All binary vacancy-vacancy configurations were found to be energetically unfavourable.
2009-01-01
America (Carignan and Vaithiyanathan 1999). Mayer and Gloss (1980) reported a kd of 600 L kg-1 for TSS of the Colorado River. Higher percentages of...the drainages to the North Atlantic Ocean: Natural and human influences. Biogeochem 35:75-139. Howarth, R. W., A. Sharpley, and D. Walker. 2002... bryophytes in phosphorus dynamics in a headwater stream ecosystem. Limnol Oceanogr 24:365-375. 33 ERDC TN-SWWRP-09-1 January 2009 Meyer, M. L., and S
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.
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
International Nuclear Information System (INIS)
Aydemir, A.Y.
1990-01-01
We derive the dispersion relations for both small and large-Δ' modes (m ≥ 2, and m = 1 modes, respectively) driven by anomalous electron viscosity. Under the assumption that the anomalous kinematic electron viscosity is comparable to the anomalous electron thermal diffusivity, we find that the viscous mode typically has a higher growth rate than the corresponding resistive mode. We compare computational results in cylindrical and toroidal geometries with theory and present some nonlinear results for viscous m = 1 modes in both circular and D-shaped boundaries and discuss their possible rile in fast sawtooth crashes. 30 ref., 5 figs., 1 tab
Energy Technology Data Exchange (ETDEWEB)
Ndanou, S., E-mail: serge.ndanou@univ-amu.fr; Favrie, N., E-mail: nicolas.favrie@univ-amu.fr; Gavrilyuk, S., E-mail: sergey.gavrilyuk@univ-amu.fr
2015-08-15
We extend the model of diffuse solid–fluid interfaces developed earlier by authors of this paper to the case of arbitrary number of interacting hyperelastic solids. Plastic transformations of solids are taken into account through a Maxwell type model. The specific energy of each solid is given in separable form: it is the sum of a hydrodynamic part of the energy depending only on the density and the entropy, and an elastic part of the energy which is unaffected by the volume change. It allows us to naturally pass to the fluid description in the limit of vanishing shear modulus. In spite of a large number of governing equations, the model has a quite simple mathematical structure: it is a duplication of a single visco-elastic model. The model is well posed both mathematically and thermodynamically: it is hyperbolic and compatible with the second law of thermodynamics. The resulting model can be applied in the situations involving an arbitrary number of fluids and solids. In particular, we show the ability of the model to describe spallation and penetration phenomena occurring during high velocity impacts.
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.
Three-dimensional doubly diffusive convectons: instability and transition to complex dynamics
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.
International Nuclear Information System (INIS)
Weiss, Martin; Dittmar, Lars; Junginger, Martin; Patel, Martin K.; Blok, Kornelis
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 produced and sold in the Netherlands between 1981 and 2006. For the most dominant boiler type on the Dutch market, i.e., condensing gas combi boilers, we identify learning rates of 14±1% for the average price and 16±8% for the additional price relative to non-condensing devices. Economies of scale, competitive sourcing of boiler components, and improvements in boiler assembly are among the main drivers behind the observed price decline. The net present value of condensing gas combi boilers shows an overall increasing trend. Purchasing in 2006 a gas boiler of this type instead of a non-condensing device generates a net present value of 970 EUR (Euro) and realizes CO 2 (carbon dioxide) emission savings at negative costs of -120 EUR per tonne CO 2 . We attribute two-thirds of the improvements in the cost-benefit performance of condensing gas combi boilers to technological learning and one-third to a combination of external effects and governmental policies.
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.