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Sample records for reaction diffusion equations

  1. Reaction diffusion equations with boundary degeneracy

    Directory of Open Access Journals (Sweden)

    Huashui Zhan

    2016-03-01

    Full Text Available In this article, we consider the reaction diffusion equation $$ \\frac{\\partial u}{\\partial t} = \\Delta A(u,\\quad (x,t\\in \\Omega \\times (0,T, $$ with the homogeneous boundary condition. Inspired by the Fichera-Oleinik theory, if the equation is not only strongly degenerate in the interior of $\\Omega$, but also degenerate on the boundary, we show that the solution of the equation is free from any limitation of the boundary condition.

  2. Diffusive instabilities in hyperbolic reaction-diffusion equations

    Science.gov (United States)

    Zemskov, Evgeny P.; Horsthemke, Werner

    2016-03-01

    We investigate two-variable reaction-diffusion systems of the hyperbolic type. A linear stability analysis is performed, and the conditions for diffusion-driven instabilities are derived. Two basic types of eigenvalues, real and complex, are described. Dispersion curves for both types of eigenvalues are plotted and their behavior is analyzed. The real case is related to the Turing instability, and the complex one corresponds to the wave instability. We emphasize the interesting feature that the wave instability in the hyperbolic equations occurs in two-variable systems, whereas in the parabolic case one needs three reaction-diffusion equations.

  3. Study of ODE limit problems for reaction-diffusion equations

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    Jacson Simsen

    2018-01-01

    Full Text Available In this work we study ODE limit problems for reaction-diffusion equations for large diffusion and we study the sensitivity of nonlinear ODEs with respect to initial conditions and exponent parameters. Moreover, we prove continuity of the flow and weak upper semicontinuity of a family of global attractors for reaction-diffusion equations with spatially variable exponents when the exponents go to 2 in \\(L^{\\infty}(\\Omega\\ and the diffusion coefficients go to infinity.

  4. Exact analytical solutions for nonlinear reaction-diffusion equations

    International Nuclear Information System (INIS)

    Liu Chunping

    2003-01-01

    By using a direct method via the computer algebraic system of Mathematica, some exact analytical solutions to a class of nonlinear reaction-diffusion equations are presented in closed form. Subsequently, the hyperbolic function solutions and the triangular function solutions of the coupled nonlinear reaction-diffusion equations are obtained in a unified way

  5. Speed ot travelling waves in reaction-diffusion equations

    International Nuclear Information System (INIS)

    Benguria, R.D.; Depassier, M.C.; Mendez, V.

    2002-01-01

    Reaction diffusion equations arise in several problems of population dynamics, flame propagation and others. In one dimensional cases the systems may evolve into travelling fronts. Here we concentrate on a reaction diffusion equation which arises as a simple model for chemotaxis and present results for the speed of the travelling fronts. (Author)

  6. Nonlinear analysis of a reaction-diffusion system: Amplitude equations

    Energy Technology Data Exchange (ETDEWEB)

    Zemskov, E. P., E-mail: zemskov@ccas.ru [Russian Academy of Sciences, Dorodnicyn Computing Center (Russian Federation)

    2012-10-15

    A reaction-diffusion system with a nonlinear diffusion term is considered. Based on nonlinear analysis, the amplitude equations are obtained in the cases of the Hopf and Turing instabilities in the system. Turing pattern-forming regions in the parameter space are determined for supercritical and subcritical instabilities in a two-component reaction-diffusion system.

  7. Analysis of discrete reaction-diffusion equations for autocatalysis and continuum diffusion equations for transport

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chi-Jen [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    In this thesis, we analyze both the spatiotemporal behavior of: (A) non-linear “reaction” models utilizing (discrete) reaction-diffusion equations; and (B) spatial transport problems on surfaces and in nanopores utilizing the relevant (continuum) diffusion or Fokker-Planck equations. Thus, there are some common themes in these studies, as they all involve partial differential equations or their discrete analogues which incorporate a description of diffusion-type processes. However, there are also some qualitative differences, as shall be discussed below.

  8. Amplitude equations for a sub-diffusive reaction-diffusion system

    International Nuclear Information System (INIS)

    Nec, Y; Nepomnyashchy, A A

    2008-01-01

    A sub-diffusive reaction-diffusion system with a positive definite memory operator and a nonlinear reaction term is analysed. Amplitude equations (Ginzburg-Landau type) are derived for short wave (Turing) and long wave (Hopf) bifurcation points

  9. Feynman-Kac equations for reaction and diffusion processes

    Science.gov (United States)

    Hou, Ru; Deng, Weihua

    2018-04-01

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

  10. Numerical solution of a reaction-diffusion equation

    International Nuclear Information System (INIS)

    Moyano, Edgardo A.; Scarpettini, Alberto F.

    2000-01-01

    The purpose of the present work to continue the observations and the numerical experiences on a reaction-diffusion model, that is a simplified form of the neutronic flux equation. The model is parabolic, nonlinear, with Dirichlet boundary conditions. The purpose is to approximate non trivial solutions, asymptotically stables for t → ∞, that is solutions that tend to the elliptic problem, in the Lyapunov sense. It belongs to the so-called reaction-diffusion equations of semi linear kind, that is, linear equations in the heat operator and they have a nonlinear reaction function, in this case f (u, a, b) = u (a - b u), being u concentration, a and b parameters. The study of the incidence of these parameters take an interest to the neutronic flux physics. So that we search non trivial, positive and bounded solutions. The used algorithm is based on the concept of monotone and ordered sequences, and on the existence theorem of Amann and Sattinger. (author)

  11. Explosive instabilities of reaction-diffusion equations including pinch effects

    International Nuclear Information System (INIS)

    Wilhelmsson, H.

    1992-01-01

    Particular solutions of reaction-diffusion equations for temperature are obtained for explosively unstable situations. As a result of the interplay between inertial, diffusion, pinch and source processes certain 'bell-shaped' distributions may grow explosively in time with preserved shape of the spatial distribution. The effect of the pinch, which requires a density inhomogeneity, is found to diminish the effect of diffusion, or inversely to support the inertial and source processes in creating the explosion. The results may be described in terms of elliptic integrals or. more simply, by means of expansions in the spatial coordinate. An application is the temperature evolution of a burning fusion plasma. (au) (18 refs.)

  12. Maximum Principles for Discrete and Semidiscrete Reaction-Diffusion Equation

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    Petr Stehlík

    2015-01-01

    Full Text Available We study reaction-diffusion equations with a general reaction function f on one-dimensional lattices with continuous or discrete time ux′  (or  Δtux=k(ux-1-2ux+ux+1+f(ux, x∈Z. We prove weak and strong maximum and minimum principles for corresponding initial-boundary value problems. Whereas the maximum principles in the semidiscrete case (continuous time exhibit similar features to those of fully continuous reaction-diffusion model, in the discrete case the weak maximum principle holds for a smaller class of functions and the strong maximum principle is valid in a weaker sense. We describe in detail how the validity of maximum principles depends on the nonlinearity and the time step. We illustrate our results on the Nagumo equation with the bistable nonlinearity.

  13. Traveling wavefront solutions to nonlinear reaction-diffusion-convection equations

    International Nuclear Information System (INIS)

    Indekeu, Joseph O; Smets, Ruben

    2017-01-01

    Physically motivated modified Fisher equations are studied in which nonlinear convection and nonlinear diffusion is allowed for besides the usual growth and spread of a population. It is pointed out that in a large variety of cases separable functions in the form of exponentially decaying sharp wavefronts solve the differential equation exactly provided a co-moving point source or sink is active at the wavefront. The velocity dispersion and front steepness may differ from those of some previously studied exact smooth traveling wave solutions. For an extension of the reaction-diffusion-convection equation, featuring a memory effect in the form of a maturity delay for growth and spread, also smooth exact wavefront solutions are obtained. The stability of the solutions is verified analytically and numerically. (paper)

  14. Traveling wavefront solutions to nonlinear reaction-diffusion-convection equations

    Science.gov (United States)

    Indekeu, Joseph O.; Smets, Ruben

    2017-08-01

    Physically motivated modified Fisher equations are studied in which nonlinear convection and nonlinear diffusion is allowed for besides the usual growth and spread of a population. It is pointed out that in a large variety of cases separable functions in the form of exponentially decaying sharp wavefronts solve the differential equation exactly provided a co-moving point source or sink is active at the wavefront. The velocity dispersion and front steepness may differ from those of some previously studied exact smooth traveling wave solutions. For an extension of the reaction-diffusion-convection equation, featuring a memory effect in the form of a maturity delay for growth and spread, also smooth exact wavefront solutions are obtained. The stability of the solutions is verified analytically and numerically.

  15. Attractor of reaction-diffusion equations in Banach spaces

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    José Valero

    2001-04-01

    Full Text Available In this paper we prove first some abstract theorems on existence of global attractors for differential inclusions generated by w-dissipative operators. Then these results are applied to reaction-diffusion equations in which the Babach space Lp is used as phase space. Finally, new results concerning the fractal dimension of the global attractor in the space L2 are obtained.

  16. Mixed, Nonsplit, Extended Stability, Stiff Integration of Reaction Diffusion Equations

    KAUST Repository

    Alzahrani, Hasnaa H.

    2016-01-01

    A tailored integration scheme is developed to treat stiff reaction-diffusion prob- lems. The construction adapts a stiff solver, namely VODE, to treat reaction im- plicitly together with explicit treatment of diffusion. The second-order Runge

  17. On the solutions of fractional reaction-diffusion equations

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    Jagdev Singh

    2013-05-01

    Full Text Available In this paper, we obtain the solution of a fractional reaction-diffusion equation associated with the generalized Riemann-Liouville fractional derivative as the time derivative and Riesz-Feller fractional derivative as the space-derivative. The results are derived by the application of the Laplace and Fourier transforms in compact and elegant form in terms of Mittag-Leffler function and H-function. The results obtained here are of general nature and include the results investigated earlier by many authors.

  18. Similarity solutions of reaction–diffusion equation with space- and time-dependent diffusion and reaction terms

    Energy Technology Data Exchange (ETDEWEB)

    Ho, C.-L. [Department of Physics, Tamkang University, Tamsui 25137, Taiwan (China); Lee, C.-C., E-mail: chieh.no27@gmail.com [Center of General Education, Aletheia University, Tamsui 25103, Taiwan (China)

    2016-01-15

    We consider solvability of the generalized reaction–diffusion equation with both space- and time-dependent diffusion and reaction terms by means of the similarity method. By introducing the similarity variable, the reaction–diffusion equation is reduced to an ordinary differential equation. Matching the resulting ordinary differential equation with known exactly solvable equations, one can obtain corresponding exactly solvable reaction–diffusion systems. Several representative examples of exactly solvable reaction–diffusion equations are presented.

  19. Parabolic equations in biology growth, reaction, movement and diffusion

    CERN Document Server

    Perthame, Benoît

    2015-01-01

    This book presents several fundamental questions in mathematical biology such as Turing instability, pattern formation, reaction-diffusion systems, invasion waves and Fokker-Planck equations. These are classical modeling tools for mathematical biology with applications to ecology and population dynamics, the neurosciences, enzymatic reactions, chemotaxis, invasion waves etc. The book presents these aspects from a mathematical perspective, with the aim of identifying those qualitative properties of the models that are relevant for biological applications. To do so, it uncovers the mechanisms at work behind Turing instability, pattern formation and invasion waves. This involves several mathematical tools, such as stability and instability analysis, blow-up in finite time, asymptotic methods and relative entropy properties. Given the content presented, the book is well suited as a textbook for master-level coursework.

  20. Guiding brine shrimp through mazes by solving reaction diffusion equations

    Science.gov (United States)

    Singal, Krishma; Fenton, Flavio

    Excitable systems driven by reaction diffusion equations have been shown to not only find solutions to mazes but to also to find the shortest path between the beginning and the end of the maze. In this talk we describe how we can use the Fitzhugh-Nagumo model, a generic model for excitable media, to solve a maze by varying the basin of attraction of its two fixed points. We demonstrate how two dimensional mazes are solved numerically using a Java Applet and then accelerated to run in real time by using graphic processors (GPUs). An application of this work is shown by guiding phototactic brine shrimp through a maze solved by the algorithm. Once the path is obtained, an Arduino directs the shrimp through the maze using lights from LEDs placed at the floor of the Maze. This method running in real time could be eventually used for guiding robots and cars through traffic.

  1. Mixed, Nonsplit, Extended Stability, Stiff Integration of Reaction Diffusion Equations

    KAUST Repository

    Alzahrani, Hasnaa H.

    2016-07-26

    A tailored integration scheme is developed to treat stiff reaction-diffusion prob- lems. The construction adapts a stiff solver, namely VODE, to treat reaction im- plicitly together with explicit treatment of diffusion. The second-order Runge-Kutta- Chebyshev (RKC) scheme is adjusted to integrate diffusion. Spatial operator is de- scretised by second-order finite differences on a uniform grid. The overall solution is advanced over S fractional stiff integrations, where S corresponds to the number of RKC stages. The behavior of the scheme is analyzed by applying it to three simple problems. The results show that it achieves second-order accuracy, thus, preserving the formal accuracy of the original RKC. The presented development sets the stage for future extensions, particularly, to multidimensional reacting flows with detailed chemistry.

  2. An Application of Equivalence Transformations to Reaction Diffusion Equations

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    Mariano Torrisi

    2015-10-01

    Full Text Available In this paper, we consider a quite general class of advection reaction diffusion systems. By using an equivalence generator, derived in a previous paper, the authors apply a projection theorem to determine some special forms of the constitutive functions that allow the extension by one of the two-dimensional principal Lie algebra. As an example, a special case is discussed at the end of the paper.

  3. Study on monostable and bistable reaction-diffusion equations by iteration of travelling wave maps

    Science.gov (United States)

    Yi, Taishan; Chen, Yuming

    2017-12-01

    In this paper, based on the iterative properties of travelling wave maps, we develop a new method to obtain spreading speeds and asymptotic propagation for monostable and bistable reaction-diffusion equations. Precisely, for Dirichlet problems of monostable reaction-diffusion equations on the half line, by making links between travelling wave maps and integral operators associated with the Dirichlet diffusion kernel (the latter is NOT invariant under translation), we obtain some iteration properties of the Dirichlet diffusion and some a priori estimates on nontrivial solutions of Dirichlet problems under travelling wave transformation. We then provide the asymptotic behavior of nontrivial solutions in the space-time region for Dirichlet problems. These enable us to develop a unified method to obtain results on heterogeneous steady states, travelling waves, spreading speeds, and asymptotic spreading behavior for Dirichlet problem of monostable reaction-diffusion equations on R+ as well as of monostable/bistable reaction-diffusion equations on R.

  4. Wong-Zakai approximations and attractors for stochastic reaction-diffusion equations on unbounded domains

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    Wang, Xiaohu; Lu, Kening; Wang, Bixiang

    2018-01-01

    In this paper, we study the Wong-Zakai approximations given by a stationary process via the Wiener shift and their associated long term behavior of the stochastic reaction-diffusion equation driven by a white noise. We first prove the existence and uniqueness of tempered pullback attractors for the Wong-Zakai approximations of stochastic reaction-diffusion equation. Then, we show that the attractors of Wong-Zakai approximations converges to the attractor of the stochastic reaction-diffusion equation for both additive and multiplicative noise.

  5. Nonlinear reaction-diffusion equations with delay: some theorems, test problems, exact and numerical solutions

    Science.gov (United States)

    Polyanin, A. D.; Sorokin, V. G.

    2017-12-01

    The paper deals with nonlinear reaction-diffusion equations with one or several delays. We formulate theorems that allow constructing exact solutions for some classes of these equations, which depend on several arbitrary functions. Examples of application of these theorems for obtaining new exact solutions in elementary functions are provided. We state basic principles of construction, selection, and use of test problems for nonlinear partial differential equations with delay. Some test problems which can be suitable for estimating accuracy of approximate analytical and numerical methods of solving reaction-diffusion equations with delay are presented. Some examples of numerical solutions of nonlinear test problems with delay are considered.

  6. Traveling Wave Solutions of Reaction-Diffusion Equations Arising in Atherosclerosis Models

    Directory of Open Access Journals (Sweden)

    Narcisa Apreutesei

    2014-05-01

    Full Text Available In this short review article, two atherosclerosis models are presented, one as a scalar equation and the other one as a system of two equations. They are given in terms of reaction-diffusion equations in an infinite strip with nonlinear boundary conditions. The existence of traveling wave solutions is studied for these models. The monostable and bistable cases are introduced and analyzed.

  7. Bifurcation of positive solutions to scalar reaction-diffusion equations with nonlinear boundary condition

    Science.gov (United States)

    Liu, Ping; Shi, Junping

    2018-01-01

    The bifurcation of non-trivial steady state solutions of a scalar reaction-diffusion equation with nonlinear boundary conditions is considered using several new abstract bifurcation theorems. The existence and stability of positive steady state solutions are proved using a unified approach. The general results are applied to a Laplace equation with nonlinear boundary condition and bistable nonlinearity, and an elliptic equation with superlinear nonlinearity and sublinear boundary conditions.

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

    Science.gov (United States)

    Hu, Wenjie; Duan, Yueliang

    2018-04-01

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

  9. Density-Dependent Conformable Space-time Fractional Diffusion-Reaction Equation and Its Exact Solutions

    Science.gov (United States)

    Hosseini, Kamyar; Mayeli, Peyman; Bekir, Ahmet; Guner, Ozkan

    2018-01-01

    In this article, a special type of fractional differential equations (FDEs) named the density-dependent conformable fractional diffusion-reaction (DDCFDR) equation is studied. Aforementioned equation has a significant role in the modelling of some phenomena arising in the applied science. The well-organized methods, including the \\exp (-φ (\\varepsilon )) -expansion and modified Kudryashov methods are exerted to generate the exact solutions of this equation such that some of the solutions are new and have been reported for the first time. Results illustrate that both methods have a great performance in handling the DDCFDR equation.

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

    KAUST Repository

    Burrage, Kevin

    2012-01-01

    Fractional differential equations are becoming increasingly used as a modelling tool for processes associated with anomalous diffusion or spatial heterogeneity. However, the presence of a fractional differential operator causes memory (time fractional) or nonlocality (space fractional) issues that impose a number of computational constraints. In this paper we develop efficient, scalable techniques for solving fractional-in-space reaction diffusion equations using the finite element method on both structured and unstructured grids via robust techniques for computing the fractional power of a matrix times a vector. Our approach is show-cased by solving the fractional Fisher and fractional Allen-Cahn reaction-diffusion equations in two and three spatial dimensions, and analyzing the speed of the traveling wave and size of the interface in terms of the fractional power of the underlying Laplacian operator. © 2012 Society for Industrial and Applied Mathematics.

  11. Existence and Stability of Traveling Waves for Degenerate Reaction-Diffusion Equation with Time Delay

    Science.gov (United States)

    Huang, Rui; Jin, Chunhua; Mei, Ming; Yin, Jingxue

    2018-01-01

    This paper deals with the existence and stability of traveling wave solutions for a degenerate reaction-diffusion equation with time delay. The degeneracy of spatial diffusion together with the effect of time delay causes us the essential difficulty for the existence of the traveling waves and their stabilities. In order to treat this case, we first show the existence of smooth- and sharp-type traveling wave solutions in the case of c≥c^* for the degenerate reaction-diffusion equation without delay, where c^*>0 is the critical wave speed of smooth traveling waves. Then, as a small perturbation, we obtain the existence of the smooth non-critical traveling waves for the degenerate diffusion equation with small time delay τ >0 . Furthermore, we prove the global existence and uniqueness of C^{α ,β } -solution to the time-delayed degenerate reaction-diffusion equation via compactness analysis. Finally, by the weighted energy method, we prove that the smooth non-critical traveling wave is globally stable in the weighted L^1 -space. The exponential convergence rate is also derived.

  12. Existence and Stability of Traveling Waves for Degenerate Reaction-Diffusion Equation with Time Delay

    Science.gov (United States)

    Huang, Rui; Jin, Chunhua; Mei, Ming; Yin, Jingxue

    2018-06-01

    This paper deals with the existence and stability of traveling wave solutions for a degenerate reaction-diffusion equation with time delay. The degeneracy of spatial diffusion together with the effect of time delay causes us the essential difficulty for the existence of the traveling waves and their stabilities. In order to treat this case, we first show the existence of smooth- and sharp-type traveling wave solutions in the case of c≥c^* for the degenerate reaction-diffusion equation without delay, where c^*>0 is the critical wave speed of smooth traveling waves. Then, as a small perturbation, we obtain the existence of the smooth non-critical traveling waves for the degenerate diffusion equation with small time delay τ >0. Furthermore, we prove the global existence and uniqueness of C^{α ,β }-solution to the time-delayed degenerate reaction-diffusion equation via compactness analysis. Finally, by the weighted energy method, we prove that the smooth non-critical traveling wave is globally stable in the weighted L^1-space. The exponential convergence rate is also derived.

  13. Evans functions and bifurcations of nonlinear waves of some nonlinear reaction diffusion equations

    Science.gov (United States)

    Zhang, Linghai

    2017-10-01

    The main purposes of this paper are to accomplish the existence, stability, instability and bifurcation of the nonlinear waves of the nonlinear system of reaction diffusion equations ut =uxx + α [ βH (u - θ) - u ] - w, wt = ε (u - γw) and to establish the existence, stability, instability and bifurcation of the nonlinear waves of the nonlinear scalar reaction diffusion equation ut =uxx + α [ βH (u - θ) - u ], under different conditions on the model constants. To establish the bifurcation for the system, we will study the existence and instability of a standing pulse solution if 0 1; the existence and instability of two standing wave fronts if 2 (1 + αγ) θ = αβγ and 0 traveling wave front as well as the existence and instability of a standing pulse solution if 0 traveling wave front as well as the existence and instability of an upside down standing pulse solution if 0 traveling wave back of the nonlinear scalar reaction diffusion equation ut =uxx + α [ βH (u - θ) - u ] -w0, where w0 = α (β - 2 θ) > 0 is a positive constant, if 0 motivation to study the existence, stability, instability and bifurcations of the nonlinear waves is to study the existence and stability/instability of infinitely many fast/slow multiple traveling pulse solutions of the nonlinear system of reaction diffusion equations. The existence and stability of infinitely many fast multiple traveling pulse solutions are of great interests in mathematical neuroscience.

  14. Bifurcation Analysis of Gene Propagation Model Governed by Reaction-Diffusion Equations

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    Guichen Lu

    2016-01-01

    Full Text Available We present a theoretical analysis of the attractor bifurcation for gene propagation model governed by reaction-diffusion equations. We investigate the dynamical transition problems of the model under the homogeneous boundary conditions. By using the dynamical transition theory, we give a complete characterization of the bifurcated objects in terms of the biological parameters of the problem.

  15. Boundedness for a system of reaction-diffusion equations with more general Arrhenius term. Pt. 1

    International Nuclear Information System (INIS)

    Okoya, S.S.

    1992-11-01

    In this paper, we consider an extended model of a coupled nonlinear reaction-diffusion equation with Neumann-Neumann boundary conditions. We obtain upper linear growth bound for one of the components. We also find the corresponding bound for the case of Dirichlet-Dirichlet boundary conditions. (author). 12 refs

  16. An analytic algorithm for the space-time fractional reaction-diffusion equation

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    M. G. Brikaa

    2015-11-01

    Full Text Available In this paper, we solve the space-time fractional reaction-diffusion equation by the fractional homotopy analysis method. Solutions of different examples of the reaction term will be computed and investigated. The approximation solutions of the studied models will be put in the form of convergent series to be easily computed and simulated. Comparison with the approximation solution of the classical case of the studied modeled with their approximation errors will also be studied.

  17. Existence and Asymptotic Stability of Periodic Solutions of the Reaction-Diffusion Equations in the Case of a Rapid Reaction

    Science.gov (United States)

    Nefedov, N. N.; Nikulin, E. I.

    2018-01-01

    A singularly perturbed periodic in time problem for a parabolic reaction-diffusion equation in a two-dimensional domain is studied. The case of existence of an internal transition layer under the conditions of balanced and unbalanced rapid reaction is considered. An asymptotic expansion of a solution is constructed. To justify the asymptotic expansion thus constructed, the asymptotic method of differential inequalities is used. The Lyapunov asymptotic stability of a periodic solution is investigated.

  18. Entropy methods for reaction-diffusion equations: slowly growing a-priori bounds

    KAUST Repository

    Desvillettes, Laurent; Fellner, Klemens

    2008-01-01

    In the continuation of [Desvillettes, L., Fellner, K.: Exponential Decay toward Equilibrium via Entropy Methods for Reaction-Diffusion Equations. J. Math. Anal. Appl. 319 (2006), no. 1, 157-176], we study reversible reaction-diffusion equations via entropy methods (based on the free energy functional) for a 1D system of four species. We improve the existing theory by getting 1) almost exponential convergence in L1 to the steady state via a precise entropy-entropy dissipation estimate, 2) an explicit global L∞ bound via interpolation of a polynomially growing H1 bound with the almost exponential L1 convergence, and 3), finally, explicit exponential convergence to the steady state in all Sobolev norms.

  19. Numerical solution of the unsteady diffusion-convection-reaction equation based on improved spectral Galerkin method

    Science.gov (United States)

    Zhong, Jiaqi; Zeng, Cheng; Yuan, Yupeng; Zhang, Yuzhe; Zhang, Ye

    2018-04-01

    The aim of this paper is to present an explicit numerical algorithm based on improved spectral Galerkin method for solving the unsteady diffusion-convection-reaction equation. The principal characteristics of this approach give the explicit eigenvalues and eigenvectors based on the time-space separation method and boundary condition analysis. With the help of Fourier series and Galerkin truncation, we can obtain the finite-dimensional ordinary differential equations which facilitate the system analysis and controller design. By comparing with the finite element method, the numerical solutions are demonstrated via two examples. It is shown that the proposed method is effective.

  20. Automatic simplification of systems of reaction-diffusion equations by a posteriori analysis.

    Science.gov (United States)

    Maybank, Philip J; Whiteley, Jonathan P

    2014-02-01

    Many mathematical models in biology and physiology are represented by systems of nonlinear differential equations. In recent years these models have become increasingly complex in order to explain the enormous volume of data now available. A key role of modellers is to determine which components of the model have the greatest effect on a given observed behaviour. An approach for automatically fulfilling this role, based on a posteriori analysis, has recently been developed for nonlinear initial value ordinary differential equations [J.P. Whiteley, Model reduction using a posteriori analysis, Math. Biosci. 225 (2010) 44-52]. In this paper we extend this model reduction technique for application to both steady-state and time-dependent nonlinear reaction-diffusion systems. Exemplar problems drawn from biology are used to demonstrate the applicability of the technique. Copyright © 2014 Elsevier Inc. All rights reserved.

  1. Scalable implicit methods for reaction-diffusion equations in two and three space dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Veronese, S.V.; Othmer, H.G. [Univ. of Utah, Salt Lake City, UT (United States)

    1996-12-31

    This paper describes the implementation of a solver for systems of semi-linear parabolic partial differential equations in two and three space dimensions. The solver is based on a parallel implementation of a non-linear Alternating Direction Implicit (ADI) scheme which uses a Cartesian grid in space and an implicit time-stepping algorithm. Various reordering strategies for the linearized equations are used to reduce the stride and improve the overall effectiveness of the parallel implementation. We have successfully used this solver for large-scale reaction-diffusion problems in computational biology and medicine in which the desired solution is a traveling wave that may contain rapid transitions. A number of examples that illustrate the efficiency and accuracy of the method are given here; the theoretical analysis will be presented.

  2. A New Approach and Solution Technique to Solve Time Fractional Nonlinear Reaction-Diffusion Equations

    Directory of Open Access Journals (Sweden)

    Inci Cilingir Sungu

    2015-01-01

    Full Text Available A new application of the hybrid generalized differential transform and finite difference method is proposed by solving time fractional nonlinear reaction-diffusion equations. This method is a combination of the multi-time-stepping temporal generalized differential transform and the spatial finite difference methods. The procedure first converts the time-evolutionary equations into Poisson equations which are then solved using the central difference method. The temporal differential transform method as used in the paper takes care of stability and the finite difference method on the resulting equation results in a system of diagonally dominant linear algebraic equations. The Gauss-Seidel iterative procedure then used to solve the linear system thus has assured convergence. To have optimized convergence rate, numerical experiments were done by using a combination of factors involving multi-time-stepping, spatial step size, and degree of the polynomial fit in time. It is shown that the hybrid technique is reliable, accurate, and easy to apply.

  3. On the solution of reaction-diffusion equations with double diffusivity

    Directory of Open Access Journals (Sweden)

    B. D. Aggarwala

    1987-01-01

    Full Text Available In this paper, solution of a pair of Coupled Partial Differential equations is derived. These equations arise in the solution of problems of flow of homogeneous liquids in fissured rocks and heat conduction involving two temperatures. These equations have been considered by Hill and Aifantis, but the technique we use appears to be simpler and more direct, and some new results are derived. Also, discussion about the propagation of initial discontinuities is given and illustrated with graphs of some special cases.

  4. Regularity of random attractors for fractional stochastic reaction-diffusion equations on Rn

    Science.gov (United States)

    Gu, Anhui; Li, Dingshi; Wang, Bixiang; Yang, Han

    2018-06-01

    We investigate the regularity of random attractors for the non-autonomous non-local fractional stochastic reaction-diffusion equations in Hs (Rn) with s ∈ (0 , 1). We prove the existence and uniqueness of the tempered random attractor that is compact in Hs (Rn) and attracts all tempered random subsets of L2 (Rn) with respect to the norm of Hs (Rn). The main difficulty is to show the pullback asymptotic compactness of solutions in Hs (Rn) due to the noncompactness of Sobolev embeddings on unbounded domains and the almost sure nondifferentiability of the sample paths of the Wiener process. We establish such compactness by the ideas of uniform tail-estimates and the spectral decomposition of solutions in bounded domains.

  5. An incomplete assembly with thresholding algorithm for systems of reaction-diffusion equations in three space dimensions IAT for reaction-diffusion systems

    International Nuclear Information System (INIS)

    Moore, Peter K.

    2003-01-01

    Solving systems of reaction-diffusion equations in three space dimensions can be prohibitively expensive both in terms of storage and CPU time. Herein, I present a new incomplete assembly procedure that is designed to reduce storage requirements. Incomplete assembly is analogous to incomplete factorization in that only a fixed number of nonzero entries are stored per row and a drop tolerance is used to discard small values. The algorithm is incorporated in a finite element method-of-lines code and tested on a set of reaction-diffusion systems. The effect of incomplete assembly on CPU time and storage and on the performance of the temporal integrator DASPK, algebraic solver GMRES and preconditioner ILUT is studied

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

    KAUST Repository

    Burrage, Kevin; Hale, Nicholas; Kay, David

    2012-01-01

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

  7. Fourier spectral methods for fractional-in-space reaction-diffusion equations

    KAUST Repository

    Bueno-Orovio, Alfonso

    2014-04-01

    © 2014, Springer Science+Business Media Dordrecht. Fractional differential equations are becoming increasingly used as a powerful modelling approach for understanding the many aspects of nonlocality and spatial heterogeneity. However, the numerical approximation of these models is demanding and imposes a number of computational constraints. In this paper, we introduce Fourier spectral methods as an attractive and easy-to-code alternative for the integration of fractional-in-space reaction-diffusion equations described by the fractional Laplacian in bounded rectangular domains of ℝ. The main advantages of the proposed schemes is that they yield a fully diagonal representation of the fractional operator, with increased accuracy and efficiency when compared to low-order counterparts, and a completely straightforward extension to two and three spatial dimensions. Our approach is illustrated by solving several problems of practical interest, including the fractional Allen–Cahn, FitzHugh–Nagumo and Gray–Scott models, together with an analysis of the properties of these systems in terms of the fractional power of the underlying Laplacian operator.

  8. Fourth order Douglas implicit scheme for solving three dimension reaction diffusion equation with non-linear source term

    Directory of Open Access Journals (Sweden)

    Shahid Hasnain

    2017-07-01

    Full Text Available This research paper represents a numerical approximation to non-linear three dimension reaction diffusion equation with non-linear source term from population genetics. Since various initial and boundary value problems exist in three dimension reaction diffusion phenomena, which are studied numerically by different numerical methods, here we use finite difference schemes (Alternating Direction Implicit and Fourth Order Douglas Implicit to approximate the solution. Accuracy is studied in term of L2, L∞ and relative error norms by random selected grids along time levels for comparison with analytical results. The test example demonstrates the accuracy, efficiency and versatility of the proposed schemes. Numerical results showed that Fourth Order Douglas Implicit scheme is very efficient and reliable for solving 3-D non-linear reaction diffusion equation.

  9. Fourth order Douglas implicit scheme for solving three dimension reaction diffusion equation with non-linear source term

    Science.gov (United States)

    Hasnain, Shahid; Saqib, Muhammad; Mashat, Daoud Suleiman

    2017-07-01

    This research paper represents a numerical approximation to non-linear three dimension reaction diffusion equation with non-linear source term from population genetics. Since various initial and boundary value problems exist in three dimension reaction diffusion phenomena, which are studied numerically by different numerical methods, here we use finite difference schemes (Alternating Direction Implicit and Fourth Order Douglas Implicit) to approximate the solution. Accuracy is studied in term of L2, L∞ and relative error norms by random selected grids along time levels for comparison with analytical results. The test example demonstrates the accuracy, efficiency and versatility of the proposed schemes. Numerical results showed that Fourth Order Douglas Implicit scheme is very efficient and reliable for solving 3-D non-linear reaction diffusion equation.

  10. Traveling wave solutions of a biological reaction-convection-diffusion equation model by using $(G'/G$ expansion method

    Directory of Open Access Journals (Sweden)

    Shahnam Javadi

    2013-07-01

    Full Text Available In this paper, the $(G'/G$-expansion method is applied to solve a biological reaction-convection-diffusion model arising in mathematical biology. Exact traveling wave solutions are obtained by this method. This scheme can be applied to a wide class of nonlinear partial differential equations.

  11. Numerical Solutions of Singularly Perturbed Reaction Diffusion Equation with Sobolev Gradients

    Directory of Open Access Journals (Sweden)

    Nauman Raza

    2013-01-01

    Full Text Available Critical points related to the singular perturbed reaction diffusion models are calculated using weighted Sobolev gradient method in finite element setting. Performance of different Sobolev gradients has been discussed for varying diffusion coefficient values. A comparison is shown between the weighted and unweighted Sobolev gradients in two and three dimensions. The superiority of the method is also demonstrated by showing comparison with Newton's method.

  12. Fractional Diffusion Equations and Anomalous Diffusion

    Science.gov (United States)

    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.

  13. Degenerate nonlinear diffusion equations

    CERN Document Server

    Favini, Angelo

    2012-01-01

    The aim of these notes is to include in a uniform presentation style several topics related to the theory of degenerate nonlinear diffusion equations, treated in the mathematical framework of evolution equations with multivalued m-accretive operators in Hilbert spaces. The problems concern nonlinear parabolic equations involving two cases of degeneracy. More precisely, one case is due to the vanishing of the time derivative coefficient and the other is provided by the vanishing of the diffusion coefficient on subsets of positive measure of the domain. From the mathematical point of view the results presented in these notes can be considered as general results in the theory of degenerate nonlinear diffusion equations. However, this work does not seek to present an exhaustive study of degenerate diffusion equations, but rather to emphasize some rigorous and efficient techniques for approaching various problems involving degenerate nonlinear diffusion equations, such as well-posedness, periodic solutions, asympt...

  14. Coupled reaction-diffusion equations to model the fission gas release in the irradiation of the uranium dioxide

    International Nuclear Information System (INIS)

    Moyano, Edgardo A.; Scarpettini, Alberto F.

    2003-01-01

    A semi linear model of weakly coupled parabolic p.d.e. with reaction-diffusion is investigated. The system describes fission gas transfer from grain interior of UO 2 to grain boundaries. The problem is studied in a bounded domain. Using the upper-lower solutions method, two monotone sequences for the finite differences equations are constructed. Reasons are mentioned that allow to affirm that in the proposed functional sector the algorithm converges to the unique solution of the differential system. (author)

  15. Asymptotic properties of blow-up solutions in reaction-diffusion equations with nonlocal boundary flux

    Science.gov (United States)

    Liu, Bingchen; Dong, Mengzhen; Li, Fengjie

    2018-04-01

    This paper deals with a reaction-diffusion problem with coupled nonlinear inner sources and nonlocal boundary flux. Firstly, we propose the critical exponents on nonsimultaneous blow-up under some conditions on the initial data. Secondly, we combine the scaling technique and the Green's identity method to determine four kinds of simultaneous blow-up rates. Thirdly, the lower and the upper bounds of blow-up time are derived by using Sobolev-type differential inequalities.

  16. Drift-Diffusion Equation

    Directory of Open Access Journals (Sweden)

    K. Banoo

    1998-01-01

    equation in the discrete momentum space. This is shown to be similar to the conventional drift-diffusion equation except that it is a more rigorous solution to the Boltzmann equation because the current and carrier densities are resolved into M×1 vectors, where M is the number of modes in the discrete momentum space. The mobility and diffusion coefficient become M×M matrices which connect the M momentum space modes. This approach is demonstrated by simulating electron transport in bulk silicon.

  17. Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes II: Size Effects on Ionic Distributions and Diffusion-Reaction Rates

    Science.gov (United States)

    Lu, Benzhuo; Zhou, Y.C.

    2011-01-01

    The effects of finite particle size on electrostatics, density profiles, and diffusion have been a long existing topic in the study of ionic solution. The previous size-modified Poisson-Boltzmann and Poisson-Nernst-Planck models are revisited in this article. In contrast to many previous works that can only treat particle species with a single uniform size or two sizes, we generalize the Borukhov model to obtain a size-modified Poisson-Nernst-Planck (SMPNP) model that is able to treat nonuniform particle sizes. The numerical tractability of the model is demonstrated as well. The main contributions of this study are as follows. 1), We show that an (arbitrarily) size-modified PB model is indeed implied by the SMPNP equations under certain boundary/interface conditions, and can be reproduced through numerical solutions of the SMPNP. 2), The size effects in the SMPNP effectively reduce the densities of highly concentrated counterions around the biomolecule. 3), The SMPNP is applied to the diffusion-reaction process for the first time, to our knowledge. In the case of low substrate density near the enzyme reactive site, it is observed that the rate coefficients predicted by SMPNP model are considerably larger than those by the PNP model, suggesting both ions and substrates are subject to finite size effects. 4), An accurate finite element method and a convergent Gummel iteration are developed for the numerical solution of the completely coupled nonlinear system of SMPNP equations. PMID:21575582

  18. On one model problem for the reaction-diffusion-advection equation

    Science.gov (United States)

    Davydova, M. A.; Zakharova, S. A.; Levashova, N. T.

    2017-09-01

    The asymptotic behavior of the solution with boundary layers in the time-independent mathematical model of reaction-diffusion-advection arising when describing the distribution of greenhouse gases in the surface atmospheric layer is studied. On the basis of the asymptotic method of differential inequalities, the existence of a boundary-layer solution and its asymptotic Lyapunov stability as a steady-state solution of the corresponding parabolic problem is proven. One of the results of this work is the determination of the local domain of the attraction of a boundary-layer solution.

  19. Nonlinear diffusion equations

    CERN Document Server

    Wu Zhuo Qun; Li Hui Lai; Zhao Jun Ning

    2001-01-01

    Nonlinear diffusion equations, an important class of parabolic equations, come from a variety of diffusion phenomena which appear widely in nature. They are suggested as mathematical models of physical problems in many fields, such as filtration, phase transition, biochemistry and dynamics of biological groups. In many cases, the equations possess degeneracy or singularity. The appearance of degeneracy or singularity makes the study more involved and challenging. Many new ideas and methods have been developed to overcome the special difficulties caused by the degeneracy and singularity, which

  20. Monostable traveling waves for a time-periodic and delayed nonlocal reaction-diffusion equation

    Science.gov (United States)

    Li, Panxiao; Wu, Shi-Liang

    2018-04-01

    This paper is concerned with a time-periodic and delayed nonlocal reaction-diffusion population model with monostable nonlinearity. Under quasi-monotone or non-quasi-monotone assumptions, it is known that there exists a critical wave speed c_*>0 such that a periodic traveling wave exists if and only if the wave speed is above c_*. In this paper, we first prove the uniqueness of non-critical periodic traveling waves regardless of whether the model is quasi-monotone or not. Further, in the quasi-monotone case, we establish the exponential stability of non-critical periodic traveling fronts. Finally, we illustrate the main results by discussing two types of death and birth functions arising from population biology.

  1. Rigorous Derivation of a Nonlinear Diffusion Equation as Fast-Reaction Limit of a Continuous Coagulation-Fragmentation Model with Diffusion

    KAUST Repository

    Carrillo, J. A.; Desvillettes, L.; Fellner, K.

    2009-01-01

    Weak solutions of the spatially inhomogeneous (diffusive) Aizenmann-Bak model of coagulation-breakup within a bounded domain with homogeneous Neumann boundary conditions are shown to converge, in the fast reaction limit, towards local equilibria determined by their mass. Moreover, this mass is the solution of a nonlinear diffusion equation whose nonlinearity depends on the (size-dependent) diffusion coefficient. Initial data are assumed to have integrable zero order moment and square integrable first order moment in size, and finite entropy. In contrast to our previous result [5], we are able to show the convergence without assuming uniform bounds from above and below on the number density of clusters. © Taylor & Francis Group, LLC.

  2. Rigorous Derivation of a Nonlinear Diffusion Equation as Fast-Reaction Limit of a Continuous Coagulation-Fragmentation Model with Diffusion

    KAUST Repository

    Carrillo, J. A.

    2009-10-30

    Weak solutions of the spatially inhomogeneous (diffusive) Aizenmann-Bak model of coagulation-breakup within a bounded domain with homogeneous Neumann boundary conditions are shown to converge, in the fast reaction limit, towards local equilibria determined by their mass. Moreover, this mass is the solution of a nonlinear diffusion equation whose nonlinearity depends on the (size-dependent) diffusion coefficient. Initial data are assumed to have integrable zero order moment and square integrable first order moment in size, and finite entropy. In contrast to our previous result [5], we are able to show the convergence without assuming uniform bounds from above and below on the number density of clusters. © Taylor & Francis Group, LLC.

  3. Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes I: Finite Element Solutions.

    Science.gov (United States)

    Lu, Benzhuo; Holst, Michael J; McCammon, J Andrew; Zhou, Y C

    2010-09-20

    In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised for time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems.

  4. Fitted Fourier-pseudospectral methods for solving a delayed reaction-diffusion partial differential equation in biology

    Science.gov (United States)

    Adam, A. M. A.; Bashier, E. B. M.; Hashim, M. H. A.; Patidar, K. C.

    2017-07-01

    In this work, we design and analyze a fitted numerical method to solve a reaction-diffusion model with time delay, namely, a delayed version of a population model which is an extension of the logistic growth (LG) equation for a food-limited population proposed by Smith [F.E. Smith, Population dynamics in Daphnia magna and a new model for population growth, Ecology 44 (1963) 651-663]. Seeing that the analytical solution (in closed form) is hard to obtain, we seek for a robust numerical method. The method consists of a Fourier-pseudospectral semi-discretization in space and a fitted operator implicit-explicit scheme in temporal direction. The proposed method is analyzed for convergence and we found that it is unconditionally stable. Illustrative numerical results will be presented at the conference.

  5. Fourier spectral methods for fractional-in-space reaction-diffusion equations

    KAUST Repository

    Bueno-Orovio, Alfonso; Kay, David; Burrage, Kevin

    2014-01-01

    approximation of these models is demanding and imposes a number of computational constraints. In this paper, we introduce Fourier spectral methods as an attractive and easy-to-code alternative for the integration of fractional-in-space reaction

  6. Dynamically Adapted Mesh Construction for the Efficient Numerical Solution of a Singular Perturbed Reaction-diffusion-advection Equation

    Directory of Open Access Journals (Sweden)

    Dmitry V. Lukyanenko

    2017-01-01

    Full Text Available This  work develops  a theory  of the  asymptotic-numerical investigation of the  moving fronts  in reaction-diffusion-advection models.  By considering  the  numerical  solution  of the  singularly perturbed Burgers’s  equation  we discuss a method  of dynamically  adapted mesh  construction that is able to significantly  improve  the  numerical  solution  of this  type of equations.  For  the  construction we use a priori information that is based  on the  asymptotic analysis  of the  problem.  In  particular, we take  into account the information about  the speed of the transition layer, its width  and structure. Our algorithms  are able to reduce significantly complexity and enhance stability of the numerical  calculations in comparison  with classical approaches for solving this class of problems.  The numerical  experiment is presented to demonstrate the effectiveness of the proposed  method.The article  is published  in the authors’  wording. 

  7. Lie and Q-Conditional Symmetries of Reaction-Diffusion-Convection Equations with Exponential Nonlinearities and Their Application for Finding Exact Solutions

    Directory of Open Access Journals (Sweden)

    Roman Cherniha

    2018-04-01

    Full Text Available This review is devoted to search for Lie and Q-conditional (nonclassical symmetries and exact solutions of a class of reaction-diffusion-convection equations with exponential nonlinearities. A complete Lie symmetry classification of the class is derived via two different algorithms in order to show that the result depends essentially on the type of equivalence transformations used for the classification. Moreover, a complete description of Q-conditional symmetries for PDEs from the class in question is also presented. It is shown that all the well-known results for reaction-diffusion equations with exponential nonlinearities follow as particular cases from the results derived for this class of reaction-diffusion-convection equations. The symmetries obtained for constructing exact solutions of the relevant equations are successfully applied. The exact solutions are compared with those found by means of different techniques. Finally, an application of the exact solutions for solving boundary-value problems arising in population dynamics is presented.

  8. Predicting in vivo glioma growth with the reaction diffusion equation constrained by quantitative magnetic resonance imaging data

    International Nuclear Information System (INIS)

    Hormuth II, David A; Weis, Jared A; Barnes, Stephanie L; Miga, Michael I; Yankeelov, Thomas E; Rericha, Erin C; Quaranta, Vito

    2015-01-01

    Reaction–diffusion models have been widely used to model glioma growth. However, it has not been shown how accurately this model can predict future tumor status using model parameters (i.e., tumor cell diffusion and proliferation) estimated from quantitative in vivo imaging data. To this end, we used in silico studies to develop the methods needed to accurately estimate tumor specific reaction–diffusion model parameters, and then tested the accuracy with which these parameters can predict future growth. The analogous study was then performed in a murine model of glioma growth. The parameter estimation approach was tested using an in silico tumor ‘grown’ for ten days as dictated by the reaction–diffusion equation. Parameters were estimated from early time points and used to predict subsequent growth. Prediction accuracy was assessed at global (total volume and Dice value) and local (concordance correlation coefficient, CCC) levels. Guided by the in silico study, rats (n = 9) with C6 gliomas, imaged with diffusion weighted magnetic resonance imaging, were used to evaluate the model’s accuracy for predicting in vivo tumor growth. The in silico study resulted in low global (tumor volume error 0.92) and local (CCC values >0.80) level errors for predictions up to six days into the future. The in vivo study showed higher global (tumor volume error >11.7%, Dice <0.81) and higher local (CCC <0.33) level errors over the same time period. The in silico study shows that model parameters can be accurately estimated and used to accurately predict future tumor growth at both the global and local scale. However, the poor predictive accuracy in the experimental study suggests the reaction–diffusion equation is an incomplete description of in vivo C6 glioma biology and may require further modeling of intra-tumor interactions including segmentation of (for example) proliferative and necrotic regions. (paper)

  9. Efficient numerical simulation of non-integer-order space-fractional reaction-diffusion equation via the Riemann-Liouville operator

    Science.gov (United States)

    Owolabi, Kolade M.

    2018-03-01

    In this work, we are concerned with the solution of non-integer space-fractional reaction-diffusion equations with the Riemann-Liouville space-fractional derivative in high dimensions. We approximate the Riemann-Liouville derivative with the Fourier transform method and advance the resulting system in time with any time-stepping solver. In the numerical experiments, we expect the travelling wave to arise from the given initial condition on the computational domain (-∞, ∞), which we terminate in the numerical experiments with a large but truncated value of L. It is necessary to choose L large enough to allow the waves to have enough space to distribute. Experimental results in high dimensions on the space-fractional reaction-diffusion models with applications to biological models (Fisher and Allen-Cahn equations) are considered. Simulation results reveal that fractional reaction-diffusion equations can give rise to a range of physical phenomena when compared to non-integer-order cases. As a result, most meaningful and practical situations are found to be modelled with the concept of fractional calculus.

  10. Fractional diffusion equations and anomalous diffusion

    CERN Document Server

    Evangelista, Luiz Roberto

    2018-01-01

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

  11. The generalized Airy diffusion equation

    Directory of Open Access Journals (Sweden)

    Frank M. Cholewinski

    2003-08-01

    Full Text Available Solutions of a generalized Airy diffusion equation and an associated nonlinear partial differential equation are obtained. Trigonometric type functions are derived for a third order generalized radial Euler type operator. An associated complex variable theory and generalized Cauchy-Euler equations are obtained. Further, it is shown that the Airy expansions can be mapped onto the Bessel Calculus of Bochner, Cholewinski and Haimo.

  12. A computational method for the coupled solution of reaction-diffusion equations on evolving domains and manifolds: Application to a model of cell migration and chemotaxis.

    Science.gov (United States)

    MacDonald, G; Mackenzie, J A; Nolan, M; Insall, R H

    2016-03-15

    In this paper, we devise a moving mesh finite element method for the approximate solution of coupled bulk-surface reaction-diffusion equations on an evolving two dimensional domain. Fundamental to the success of the method is the robust generation of bulk and surface meshes. For this purpose, we use a novel moving mesh partial differential equation (MMPDE) approach. The developed method is applied to model problems with known analytical solutions; these experiments indicate second-order spatial and temporal accuracy. Coupled bulk-surface problems occur frequently in many areas; in particular, in the modelling of eukaryotic cell migration and chemotaxis. We apply the method to a model of the two-way interaction of a migrating cell in a chemotactic field, where the bulk region corresponds to the extracellular region and the surface to the cell membrane.

  13. Derivation of the neutron diffusion equation

    International Nuclear Information System (INIS)

    Mika, J.R.; Banasiak, J.

    1994-01-01

    We discuss the diffusion equation as an asymptotic limit of the neutron transport equation for large scattering cross sections. We show that the classical asymptotic expansion procedure does not lead to the diffusion equation and present two modified approaches to overcome this difficulty. The effect of the initial layer is also discussed. (authors). 9 refs

  14. Numerical solutions of diffusive logistic equation

    International Nuclear Information System (INIS)

    Afrouzi, G.A.; Khademloo, S.

    2007-01-01

    In this paper we investigate numerically positive solutions of a superlinear Elliptic equation on bounded domains. The study of Diffusive logistic equation continues to be an active field of research. The subject has important applications to population migration as well as many other branches of science and engineering. In this paper the 'finite difference scheme' will be developed and compared for solving the one- and three-dimensional Diffusive logistic equation. The basis of the analysis of the finite difference equations considered here is the modified equivalent partial differential equation approach, developed from many authors these years

  15. Symmetry properties of fractional diffusion equations

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-10-15

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

  16. Intermittent Motion, Nonlinear Diffusion Equation and Tsallis Formalism

    Directory of Open Access Journals (Sweden)

    Ervin K. Lenzi

    2017-01-01

    Full Text Available We investigate an intermittent process obtained from the combination of a nonlinear diffusion equation and pauses. We consider the porous media equation with reaction terms related to the rate of switching the particles from the diffusive mode to the resting mode or switching them from the resting to the movement. The results show that in the asymptotic limit of small and long times, the spreading of the system is essentially governed by the diffusive term. The behavior exhibited for intermediate times depends on the rates present in the reaction terms. In this scenario, we show that, in the asymptotic limits, the distributions for this process are given by in terms of power laws which may be related to the q-exponential present in the Tsallis statistics. Furthermore, we also analyze a situation characterized by different diffusive regimes, which emerges when the diffusive term is a mixing of linear and nonlinear terms.

  17. Exact solutions of certain nonlinear chemotaxis diffusion reaction ...

    Indian Academy of Sciences (India)

    constructed coupled differential equations. The results obtained ... Nonlinear diffusion reaction equation; chemotaxis; auxiliary equation method; solitary wave solutions. ..... fact limits the scope of applications of the derived results. ... Research Fellowship and AP acknowledges DU and DST for PURSE grant for financial.

  18. Fractional Diffusion Limit for Collisional Kinetic Equations

    KAUST Repository

    Mellet, Antoine

    2010-08-20

    This paper is devoted to diffusion limits of linear Boltzmann equations. When the equilibrium distribution function is a Maxwellian distribution, it is well known that for an appropriate time scale, the small mean free path limit gives rise to a diffusion equation. In this paper, we consider situations in which the equilibrium distribution function is a heavy-tailed distribution with infinite variance. We then show that for an appropriate time scale, the small mean free path limit gives rise to a fractional diffusion equation. © 2010 Springer-Verlag.

  19. RKC time-stepping for advection-diffusion-reaction problems

    International Nuclear Information System (INIS)

    Verwer, J.G.; Sommeijer, B.P.; Hundsdorfer, W.

    2004-01-01

    The original explicit Runge-Kutta-Chebyshev (RKC) method is a stabilized second-order integration method for pure diffusion problems. Recently, it has been extended in an implicit-explicit manner to also incorporate highly stiff reaction terms. This implicit-explicit RKC method thus treats diffusion terms explicitly and the highly stiff reaction terms implicitly. The current paper deals with the incorporation of advection terms for the explicit method, thus aiming at the implicit-explicit RKC integration of advection-diffusion-reaction equations in a manner that advection and diffusion terms are treated simultaneously and explicitly and the highly stiff reaction terms implicitly

  20. Numerical Analysis of the Reaction-diffusion Equation for Soluble Starch and Dextrin as Substrates of Immobilized Amyloglucosidase in a Porous Support by Using Least Square Method

    Directory of Open Access Journals (Sweden)

    Ali Izadi

    2015-10-01

    Full Text Available In this study, substrates concentration profile has been studied in a porous matrix containing immobilized amyloglucosidase for glucose production. This analysis has been performed by using of an analytical method called Least Square Method and results have been compared with numerical solution. Effects of effective diffusivity (, Michael's constant (, maximum reaction rate ( and initial substrate concentration ( are studied on Soluble Starch and Dextrin concentration in the spherical support. Outcomes reveal that Least Square Method has an excellent agreement with numerical solution and in the center of support, substrate concentration is minimum and increasing of effective diffusivity and Michael's constant reduce the Soluble Starch and Dextrin profile gradient.

  1. Exponential attractors for a nonclassical diffusion equation

    Directory of Open Access Journals (Sweden)

    Qiaozhen Ma

    2009-01-01

    Full Text Available In this article, we prove the existence of exponential attractors for a nonclassical diffusion equation in ${H^{2}(Omega}cap{H}^{1}_{0}(Omega$ when the space dimension is less than 4.

  2. Fractional Diffusion Limit for Collisional Kinetic Equations

    KAUST Repository

    Mellet, Antoine; Mischler, Sté phane; Mouhot, Clé ment

    2010-01-01

    This paper is devoted to diffusion limits of linear Boltzmann equations. When the equilibrium distribution function is a Maxwellian distribution, it is well known that for an appropriate time scale, the small mean free path limit gives rise to a

  3. Diffusive limits for linear transport equations

    International Nuclear Information System (INIS)

    Pomraning, G.C.

    1992-01-01

    The authors show that the Hibert and Chapman-Enskog asymptotic treatments that reduce the nonlinear Boltzmann equation to the Euler and Navier-Stokes fluid equations have analogs in linear transport theory. In this linear setting, these fluid limits are described by diffusion equations, involving familiar and less familiar diffusion coefficients. Because of the linearity extant, one can carry out explicitly the initial and boundary layer analyses required to obtain asymptotically consistent initial and boundary conditions for the diffusion equations. In particular, the effects of boundary curvature and boundary condition variation along the surface can be included in the boundary layer analysis. A brief review of heuristic (nonasymptotic) diffusion description derivations is also included in our discussion

  4. Diffusion equation and non-holonomy

    International Nuclear Information System (INIS)

    Gomes, Luiz Carlos; Lobo, R.; Simao, F.R.A.

    1980-01-01

    The diffusion equation for particles in a Riemannian space subject to a single constraint is discussed. The implications of the holonomy and non-holonomy of this single constraint is also discussed. (L.C.) [pt

  5. Modeling methanol transfer in the mesoporous catalyst for the methanol-to-olefins reaction by the time-fractional diffusion equation

    Science.gov (United States)

    Zhokh, Alexey A.; Strizhak, Peter E.

    2018-04-01

    The solutions of the time-fractional diffusion equation for the short and long times are obtained via an application of the asymptotic Green's functions. The derived solutions are applied to analysis of the methanol mass transfer through H-ZSM-5/alumina catalyst grain. It is demonstrated that the methanol transport in the catalysts pores may be described by the obtained solutions in a fairly good manner. The measured fractional exponent is equal to 1.20 ± 0.02 and reveals the super-diffusive regime of the methanol mass transfer. The presence of the anomalous transport may be caused by geometrical restrictions and the adsorption process on the internal surface of the catalyst grain's pores.

  6. Diffusion phenomenon for linear dissipative wave equations

    KAUST Repository

    Said-Houari, Belkacem

    2012-01-01

    In this paper we prove the diffusion phenomenon for the linear wave equation. To derive the diffusion phenomenon, a new method is used. In fact, for initial data in some weighted spaces, we prove that for {equation presented} decays with the rate {equation presented} [0,1] faster than that of either u or v, where u is the solution of the linear wave equation with initial data {equation presented} [0,1], and v is the solution of the related heat equation with initial data v 0 = u 0 + u 1. This result improves the result in H. Yang and A. Milani [Bull. Sci. Math. 124 (2000), 415-433] in the sense that, under the above restriction on the initial data, the decay rate given in that paper can be improved by t -γ/2. © European Mathematical Society.

  7. Distributed order reaction-diffusion systems associated with Caputo derivatives

    Science.gov (United States)

    Saxena, R. K.; Mathai, A. M.; Haubold, H. J.

    2014-08-01

    This paper deals with the investigation of the solution of an unified fractional reaction-diffusion equation of distributed order associated with the Caputo derivatives as the time-derivative and Riesz-Feller fractional derivative as the space-derivative. The solution is derived by the application of the joint Laplace and Fourier transforms in compact and closed form in terms of the H-function. The results derived are of general nature and include the results investigated earlier by other authors, notably by Mainardi et al. ["The fundamental solution of the space-time fractional diffusion equation," Fractional Calculus Appl. Anal. 4, 153-202 (2001); Mainardi et al. "Fox H-functions in fractional diffusion," J. Comput. Appl. Math. 178, 321-331 (2005)] for the fundamental solution of the space-time fractional equation, including Haubold et al. ["Solutions of reaction-diffusion equations in terms of the H-function," Bull. Astron. Soc. India 35, 681-689 (2007)] and Saxena et al. ["Fractional reaction-diffusion equations," Astrophys. Space Sci. 305, 289-296 (2006a)] for fractional reaction-diffusion equations. The advantage of using the Riesz-Feller derivative lies in the fact that the solution of the fractional reaction-diffusion equation, containing this derivative, includes the fundamental solution for space-time fractional diffusion, which itself is a generalization of fractional diffusion, space-time fraction diffusion, and time-fractional diffusion, see Schneider and Wyss ["Fractional diffusion and wave equations," J. Math. Phys. 30, 134-144 (1989)]. These specialized types of diffusion can be interpreted as spatial probability density functions evolving in time and are expressible in terms of the H-function in compact forms. The convergence conditions for the double series occurring in the solutions are investigated. It is interesting to observe that the double series comes out to be a special case of the Srivastava-Daoust hypergeometric function of two variables

  8. Exact solutions of some coupled nonlinear diffusion-reaction ...

    Indian Academy of Sciences (India)

    certain coupled diffusion-reaction (D-R) equations of very general nature. In recent years, various direct methods have been proposed to find the exact solu- tions not only of nonlinear partial differential equations but also of their coupled versions. These methods include unified ansatz approach [3], extended hyperbolic func ...

  9. Solitary wave solutions of selective nonlinear diffusion-reaction ...

    Indian Academy of Sciences (India)

    An auto-Bäcklund transformation derived in the homogeneous balance method is employed to obtain several new exact solutions of certain kinds of nonlin- ear diffusion-reaction (D-R) equations. These equations arise in a variety of problems in physical, chemical, biological, social and ecological sciences. Keywords.

  10. Fractional diffusion equation for heterogeneous medium

    International Nuclear Information System (INIS)

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

    2011-11-01

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

  11. Iterative solutions of finite difference diffusion equations

    International Nuclear Information System (INIS)

    Menon, S.V.G.; Khandekar, D.C.; Trasi, M.S.

    1981-01-01

    The heterogeneous arrangement of materials and the three-dimensional character of the reactor physics problems encountered in the design and operation of nuclear reactors makes it necessary to use numerical methods for solution of the neutron diffusion equations which are based on the linear Boltzmann equation. The commonly used numerical method for this purpose is the finite difference method. It converts the diffusion equations to a system of algebraic equations. In practice, the size of this resulting algebraic system is so large that the iterative methods have to be used. Most frequently used iterative methods are discussed. They include : (1) basic iterative methods for one-group problems, (2) iterative methods for eigenvalue problems, and (3) iterative methods which use variable acceleration parameters. Application of Chebyshev theorem to iterative methods is discussed. The extension of the above iterative methods to multigroup neutron diffusion equations is also considered. These methods are applicable to elliptic boundary value problems in reactor design studies in particular, and to elliptic partial differential equations in general. Solution of sample problems is included to illustrate their applications. The subject matter is presented in as simple a manner as possible. However, a working knowledge of matrix theory is presupposed. (M.G.B.)

  12. Pattern formation in reaction diffusion systems with finite geometry

    International Nuclear Information System (INIS)

    Borzi, C.; Wio, H.

    1990-04-01

    We analyze the one-component, one-dimensional, reaction-diffusion equation through a simple inverse method. We confine the system and fix the boundary conditions as to induce pattern formation. We analyze the stability of those patterns. Our goal is to get information about the reaction term out of the preknowledgment of the pattern. (author). 5 refs

  13. Field theory of propagating reaction-diffusion fronts

    International Nuclear Information System (INIS)

    Escudero, C.

    2004-01-01

    The problem of velocity selection of reaction-diffusion fronts has been widely investigated. While the mean-field limit results are well known theoretically, there is a lack of analytic progress in those cases in which fluctuations are to be taken into account. Here, we construct an analytic theory connecting the first principles of the reaction-diffusion process to an effective equation of motion via field-theoretic arguments, and we arrive at results already confirmed by numerical simulations

  14. Cross-diffusional effect in a telegraph reaction diffusion Lotka-Volterra two competitive system

    International Nuclear Information System (INIS)

    Abdusalam, H.A; Fahmy, E.S.

    2003-01-01

    It is known now that, telegraph equation is more suitable than ordinary diffusion equation in modelling reaction diffusion in several branches of sciences. Telegraph reaction diffusion Lotka-Volterra two competitive system is considered. We observed that this system can give rise to diffusive instability only in the presence of cross-diffusion. Local and global stability analysis in the cross-diffusional effect are studied by considering suitable Lyapunov functional

  15. Particle Simulation of Fractional Diffusion Equations

    KAUST Repository

    Allouch, Samer

    2017-07-12

    This work explores different particle-based approaches to the simulation of one-dimensional fractional subdiffusion equations in unbounded domains. We rely on smooth particle approximations, and consider four methods for estimating the fractional diffusion term. The first method is based on direct differentiation of the particle representation, it follows the Riesz definition of the fractional derivative and results in a non-conservative scheme. The other three methods follow the particle strength exchange (PSE) methodology and are by construction conservative, in the sense that the total particle strength is time invariant. The first PSE algorithm is based on using direct differentiation to estimate the fractional diffusion flux, and exploiting the resulting estimates in an integral representation of the divergence operator. Meanwhile, the second one relies on the regularized Riesz representation of the fractional diffusion term to derive a suitable interaction formula acting directly on the particle representation of the diffusing field. A third PSE construction is considered that exploits the Green\\'s function of the fractional diffusion equation. The performance of all four approaches is assessed for the case of a one-dimensional diffusion equation with constant diffusivity. This enables us to take advantage of known analytical solutions, and consequently conduct a detailed analysis of the performance of the methods. This includes a quantitative study of the various sources of error, namely filtering, quadrature, domain truncation, and time integration, as well as a space and time self-convergence analysis. These analyses are conducted for different values of the order of the fractional derivatives, and computational experiences are used to gain insight that can be used for generalization of the present constructions.

  16. Particle Simulation of Fractional Diffusion Equations

    KAUST Repository

    Allouch, Samer; Lucchesi, Marco; Maî tre, O. P. Le; Mustapha, K. A.; Knio, Omar

    2017-01-01

    This work explores different particle-based approaches to the simulation of one-dimensional fractional subdiffusion equations in unbounded domains. We rely on smooth particle approximations, and consider four methods for estimating the fractional diffusion term. The first method is based on direct differentiation of the particle representation, it follows the Riesz definition of the fractional derivative and results in a non-conservative scheme. The other three methods follow the particle strength exchange (PSE) methodology and are by construction conservative, in the sense that the total particle strength is time invariant. The first PSE algorithm is based on using direct differentiation to estimate the fractional diffusion flux, and exploiting the resulting estimates in an integral representation of the divergence operator. Meanwhile, the second one relies on the regularized Riesz representation of the fractional diffusion term to derive a suitable interaction formula acting directly on the particle representation of the diffusing field. A third PSE construction is considered that exploits the Green's function of the fractional diffusion equation. The performance of all four approaches is assessed for the case of a one-dimensional diffusion equation with constant diffusivity. This enables us to take advantage of known analytical solutions, and consequently conduct a detailed analysis of the performance of the methods. This includes a quantitative study of the various sources of error, namely filtering, quadrature, domain truncation, and time integration, as well as a space and time self-convergence analysis. These analyses are conducted for different values of the order of the fractional derivatives, and computational experiences are used to gain insight that can be used for generalization of the present constructions.

  17. 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.

  18. Entropy methods for diffusive partial differential equations

    CERN Document Server

    Jüngel, Ansgar

    2016-01-01

    This book presents a range of entropy methods for diffusive PDEs devised by many researchers in the course of the past few decades, which allow us to understand the qualitative behavior of solutions to diffusive equations (and Markov diffusion processes). Applications include the large-time asymptotics of solutions, the derivation of convex Sobolev inequalities, the existence and uniqueness of weak solutions, and the analysis of discrete and geometric structures of the PDEs. The purpose of the book is to provide readers an introduction to selected entropy methods that can be found in the research literature. In order to highlight the core concepts, the results are not stated in the widest generality and most of the arguments are only formal (in the sense that the functional setting is not specified or sufficient regularity is supposed). The text is also suitable for advanced master and PhD students and could serve as a textbook for special courses and seminars.

  19. Derivation of a volume-averaged neutron diffusion equation; Atomos para el desarrollo de Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Vazquez R, R.; Espinosa P, G. [UAM-Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, Mexico D.F. 09340 (Mexico); Morales S, Jaime B. [UNAM, Laboratorio de Analisis en Ingenieria de Reactores Nucleares, Paseo Cuauhnahuac 8532, Jiutepec, Morelos 62550 (Mexico)]. e-mail: rvr@xanum.uam.mx

    2008-07-01

    This paper presents a general theoretical analysis of the problem of neutron motion in a nuclear reactor, where large variations on neutron cross sections normally preclude the use of the classical neutron diffusion equation. A volume-averaged neutron diffusion equation is derived which includes correction terms to diffusion and nuclear reaction effects. A method is presented to determine closure-relationships for the volume-averaged neutron diffusion equation (e.g., effective neutron diffusivity). In order to describe the distribution of neutrons in a highly heterogeneous configuration, it was necessary to extend the classical neutron diffusion equation. Thus, the volume averaged diffusion equation include two corrections factor: the first correction is related with the absorption process of the neutron and the second correction is a contribution to the neutron diffusion, both parameters are related to neutron effects on the interface of a heterogeneous configuration. (Author)

  20. Analysis and application of diffusion equations involving a new fractional derivative without singular kernel

    Directory of Open Access Journals (Sweden)

    Lihong Zhang

    2017-11-01

    Full Text Available In this article, a family of nonlinear diffusion equations involving multi-term Caputo-Fabrizio time fractional derivative is investigated. Some maximum principles are obtained. We also demonstrate the application of the obtained results by deriving some estimation for solution to reaction-diffusion equations.

  1. Turing instability in reaction-diffusion systems with nonlinear diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Zemskov, E. P., E-mail: zemskov@ccas.ru [Russian Academy of Sciences, Dorodnicyn Computing Center (Russian Federation)

    2013-10-15

    The Turing instability is studied in two-component reaction-diffusion systems with nonlinear diffusion terms, and the regions in parametric space where Turing patterns can form are determined. The boundaries between super- and subcritical bifurcations are found. Calculations are performed for one-dimensional brusselator and oregonator models.

  2. Multiple Scale Reaction-Diffusion-Advection Problems with Moving Fronts

    Science.gov (United States)

    Nefedov, Nikolay

    2016-06-01

    In this work we discuss the further development of the general scheme of the asymptotic method of differential inequalities to investigate stability and motion of sharp internal layers (fronts) for nonlinear singularly perturbed parabolic equations, which are called in applications reaction-diffusion-advection equations. Our approach is illustrated for some new important cases of initial boundary value problems. We present results on stability and on the motion of the fronts.

  3. Differential constraints and exact solutions of nonlinear diffusion equations

    International Nuclear Information System (INIS)

    Kaptsov, Oleg V; Verevkin, Igor V

    2003-01-01

    The differential constraints are applied to obtain explicit solutions of nonlinear diffusion equations. Certain linear determining equations with parameters are used to find such differential constraints. They generalize the determining equations used in the search for classical Lie symmetries

  4. A numerical method to solve the 1D and the 2D reaction diffusion equation based on Bessel functions and Jacobian free Newton-Krylov subspace methods

    Science.gov (United States)

    Parand, K.; Nikarya, M.

    2017-11-01

    In this paper a novel method will be introduced to solve a nonlinear partial differential equation (PDE). In the proposed method, we use the spectral collocation method based on Bessel functions of the first kind and the Jacobian free Newton-generalized minimum residual (JFNGMRes) method with adaptive preconditioner. In this work a nonlinear PDE has been converted to a nonlinear system of algebraic equations using the collocation method based on Bessel functions without any linearization, discretization or getting the help of any other methods. Finally, by using JFNGMRes, the solution of the nonlinear algebraic system is achieved. To illustrate the reliability and efficiency of the proposed method, we solve some examples of the famous Fisher equation. We compare our results with other methods.

  5. Identification of a time-varying point source in a system of two coupled linear diffusion-advection- reaction equations: application to surface water pollution

    International Nuclear Information System (INIS)

    Hamdi, Adel

    2009-01-01

    This paper deals with the identification of a point source (localization of its position and recovering the history of its time-varying intensity function) that constitutes the right-hand side of the first equation in a system of two coupled 1D linear transport equations. Assuming that the source intensity function vanishes before reaching the final control time, we prove the identifiability of the sought point source from recording the state relative to the second coupled transport equation at two observation points framing the source region. Note that at least one of the two observation points should be strategic. We establish an identification method that uses these records to identify the source position as the root of a continuous and strictly monotonic function. Whereas the source intensity function is recovered using a recursive formula without any need of an iterative process. Some numerical experiments on a variant of the surface water pollution BOD–OD coupled model are presented

  6. Solution of time dependent atmospheric diffusion equation with a proposed diffusion coefficient

    International Nuclear Information System (INIS)

    Mayhoub, A.B.; Essa, KH.S.M.; Aly, SH.

    2004-01-01

    One-dimensional model for the dispersion of passive atmospheric contaminant (not included chemical reactions) in the atmospheric boundary layer is considered. On the basis of the gradient transfer theory (K-theory), the time dependent diffusion equation represents the dispersion of the pollutants is solved analytically. The solution depends on diffusion coefficient K', which is expressed in terms of the friction velocity 'u the vertical coordinate -L and the depth of the mixing layer 'h'. The solution is obtained to either the vertical coordinate 'z' is less or greater than the mixing height 'h'. The obtained solution may be applied to study the atmospheric dispersion of pollutants

  7. Different microscopic interpretations of the reaction-telegrapher equation

    Energy Technology Data Exchange (ETDEWEB)

    Campos, Daniel; Mendez, Vicenc [Grup de Fisica EstadIstica, Departament de Fisica, Universitat Autonoma de Barcelona, 08193 Bellaterra (Barcelona) (Spain)

    2009-02-20

    In this paper we provide some new insights into the microscopic interpretation of the telegrapher's and the reaction-telegrapher equations. We use the framework of continuous-time random walks to derive the telegrapher's equation from two different perspectives reported before: the kinetic derivation (KD) and the delayed random-walk derivation (DRWD). We analyze the similarities and the differences between both derivations, paying special attention to the case when a reaction process is also present in the system. As a result, we are able to show that the equivalence between the KD and the DRWD can break down when transport and reaction are coupled processes. Also, this analysis allows us to elaborate on the specific role of relaxation effects in reaction-diffusion processes.

  8. Solution of the atmospheric diffusion equation with a realistic diffusion coefficient and time dependent mixing height

    International Nuclear Information System (INIS)

    Mayhoub, A.B.; Etman, S.M.

    1997-01-01

    One dimensional model for the dispersion of a passive atmospheric contaminant (neglecting chemical reactions) in the atmospheric boundary layer is introduced. The differential equation representing the dispersion of pollutants is solved on the basis of gradient-transfer theory (K- theory). The present approach deals with a more appropriate and realistic profile for the diffusion coefficient K, which is expressed in terms of the friction velocity U, the vertical coordinate z and the depth of the mixing layer h, which is taken time dependent. After some mathematical simplification, the equation analytic obtained solution can be easily applied to case study concerning atmospheric dispersion of pollutants

  9. Inertial effects in diffusion-limited reactions

    International Nuclear Information System (INIS)

    Dorsaz, N; Foffi, G; De Michele, C; Piazza, F

    2010-01-01

    Diffusion-limited reactions are commonly found in biochemical processes such as enzyme catalysis, colloid and protein aggregation and binding between different macromolecules in cells. Usually, such reactions are modeled within the Smoluchowski framework by considering purely diffusive boundary problems. However, inertial effects are not always negligible in real biological or physical media on typical observation time frames. This is all the more so for non-bulk phenomena involving physical boundaries, that introduce additional time and space constraints. In this paper, we present and test a novel numerical scheme, based on event-driven Brownian dynamics, that allows us to explore a wide range of velocity relaxation times, from the purely diffusive case to the underdamped regime. We show that our algorithm perfectly reproduces the solution of the Fokker-Planck problem with absorbing boundary conditions in all the regimes considered and is thus a good tool for studying diffusion-guided reactions in complex biological environments.

  10. An efficient nonlinear finite-difference approach in the computational modeling of the dynamics of a nonlinear diffusion-reaction equation in microbial ecology.

    Science.gov (United States)

    Macías-Díaz, J E; Macías, Siegfried; Medina-Ramírez, I E

    2013-12-01

    In this manuscript, we present a computational model to approximate the solutions of a partial differential equation which describes the growth dynamics of microbial films. The numerical technique reported in this work is an explicit, nonlinear finite-difference methodology which is computationally implemented using Newton's method. Our scheme is compared numerically against an implicit, linear finite-difference discretization of the same partial differential equation, whose computer coding requires an implementation of the stabilized bi-conjugate gradient method. Our numerical results evince that the nonlinear approach results in a more efficient approximation to the solutions of the biofilm model considered, and demands less computer memory. Moreover, the positivity of initial profiles is preserved in the practice by the nonlinear scheme proposed. Copyright © 2013 Elsevier Ltd. All rights reserved.

  11. Reaction-diffusion systems in intracellular molecular transport and control.

    Science.gov (United States)

    Soh, Siowling; Byrska, Marta; Kandere-Grzybowska, Kristiana; Grzybowski, Bartosz A

    2010-06-07

    Chemical reactions make cells work only if the participating chemicals are delivered to desired locations in a timely and precise fashion. Most research to date has focused on active-transport mechanisms, although passive diffusion is often equally rapid and energetically less costly. Capitalizing on these advantages, cells have developed sophisticated reaction-diffusion (RD) systems that control a wide range of cellular functions-from chemotaxis and cell division, through signaling cascades and oscillations, to cell motility. These apparently diverse systems share many common features and are "wired" according to "generic" motifs such as nonlinear kinetics, autocatalysis, and feedback loops. Understanding the operation of these complex (bio)chemical systems requires the analysis of pertinent transport-kinetic equations or, at least on a qualitative level, of the characteristic times of the constituent subprocesses. Therefore, in reviewing the manifestations of cellular RD, we also describe basic theory of reaction-diffusion phenomena.

  12. Solution of diffusion equation in deformable spheroids

    Energy Technology Data Exchange (ETDEWEB)

    Ayyoubzadeh, Seyed Mohsen [Department of Energy Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Safari, Mohammad Javad, E-mail: iFluka@gmail.com [Department of Energy Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Vosoughi, Naser [Department of Energy Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of)

    2011-05-15

    Research highlights: > Developing an explicit solution for the diffusion equation in spheroidal geometry. > Proving an orthogonality relation for spheroidal eigenfunctions. > Developing a relation for the extrapolation distance in spheroidal geometry. > Considering the sphere and slab as limiting cases for a spheroid. > Cross-validation of the analytical solution with Monte Carlo simulations. - Abstract: The time-dependent diffusion of neutrons in a spheroid as a function of the focal distance has been studied. The solution is based on an orthogonal basis and an extrapolation distanced related boundary condition for the spheroidal geometry. It has been shown that spheres and disks are two limiting cases for the spheroids, for which there is a smooth transition for the systems properties between these two limits. Furthermore, it is demonstrated that a slight deformation from a sphere does not affect the fundamental mode properties, to the first order. The calculations for both multiplying and non-multiplying media have been undertaken, showing good agreement with direct Monte Carlo simulations.

  13. Neutron transport equation - indications on homogenization and neutron diffusion

    International Nuclear Information System (INIS)

    Argaud, J.P.

    1992-06-01

    In PWR nuclear reactor, the practical study of the neutrons in the core uses diffusion equation to describe the problem. On the other hand, the most correct method to describe these neutrons is to use the Boltzmann equation, or neutron transport equation. In this paper, we give some theoretical indications to obtain a diffusion equation from the general transport equation, with some simplifying hypothesis. The work is organised as follows: (a) the most general formulations of the transport equation are presented: integro-differential equation and integral equation; (b) the theoretical approximation of this Boltzmann equation by a diffusion equation is introduced, by the way of asymptotic developments; (c) practical homogenization methods of transport equation is then presented. In particular, the relationships with some general and useful methods in neutronic are shown, and some homogenization methods in energy and space are indicated. A lot of other points of view or complements are detailed in the text or the remarks

  14. Reaction-Diffusion Automata Phenomenology, Localisations, Computation

    CERN Document Server

    Adamatzky, Andrew

    2013-01-01

    Reaction-diffusion and excitable media are amongst most intriguing substrates. Despite apparent simplicity of the physical processes involved the media exhibit a wide range of amazing patterns: from target and spiral waves to travelling localisations and stationary breathing patterns. These media are at the heart of most natural processes, including morphogenesis of living beings, geological formations, nervous and muscular activity, and socio-economic developments.   This book explores a minimalist paradigm of studying reaction-diffusion and excitable media using locally-connected networks of finite-state machines: cellular automata and automata on proximity graphs. Cellular automata are marvellous objects per se because they show us how to generate and manage complexity using very simple rules of dynamical transitions. When combined with the reaction-diffusion paradigm the cellular automata become an essential user-friendly tool for modelling natural systems and designing future and emergent computing arch...

  15. Laser spot detection based on reaction diffusion

    Czech Academy of Sciences Publication Activity Database

    Vázquez-Otero, Alejandro; Khikhlukha, Danila; Solano-Altamirano, J. M.; Dormido, R.; Duro, N.

    2016-01-01

    Roč. 16, č. 3 (2016), s. 1-11, č. článku 315. ISSN 1424-8220 R&D Projects: GA MŠk EF15_008/0000162 Grant - others:ELI Beamlines(XE) CZ.02.1.01/0.0/0.0/15_008/0000162 Institutional support: RVO:68378271 Keywords : laser spot detection * laser beam detection * reaction diffusion models * Fitzhugh-Nagumo model * reaction diffusion computation * Turing patterns Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 2.677, year: 2016

  16. A Weak Comparison Principle for Reaction-Diffusion Systems

    Directory of Open Access Journals (Sweden)

    José Valero

    2012-01-01

    Full Text Available We prove a weak comparison principle for a reaction-diffusion system without uniqueness of solutions. We apply the abstract results to the Lotka-Volterra system with diffusion, a generalized logistic equation, and to a model of fractional-order chemical autocatalysis with decay. Moreover, in the case of the Lotka-Volterra system a weak maximum principle is given, and a suitable estimate in the space of essentially bounded functions L∞ is proved for at least one solution of the problem.

  17. Evolution of density profiles for reaction-diffusion processes

    International Nuclear Information System (INIS)

    Ondarza-Rovira, R.

    1990-01-01

    The purpose of this work is to study the reaction diffusion equations for the concentration of one species in one spatial dimension. Nonlinear diffusion equations paly an important role in several fields: Physics, Kinetic Chemistry, Poblational Biology, Neurophysics, etc. The study of the behavior of solutions, with nonlinear diffusion coefficient, and monomial creation and annihilation terms, is considered. It is found, that when the exponent of the annihilation term is smaller than the one of the creation term, unstable equilibrium solutions may exist, for which solutions above it explode in finite time, but solutions below it decay exponentially. By means of the reduction to quadratures technique, it is found that is possible to obtain travelling wave solution in those cases when the annihilation term is greater than the creation term. This method of solution always permits to know the propagation velocity of the front, even if the concentration cannot be written in closed form. The portraits of the solutions in phase space show the existence of solutions which velocities may be smaller or greater than the ones found analytically. Linear and nonlinear diffusion equations, differ significantly in that the former are of change of solutions are considered. This is reminiscent of the fact that linear diffusion yields infinite propagation speed, even though the speed of the front is finite. When the strength of the annihilation term increases, as compared with that of the creation term, arbitrary initial conditions (studied numerically) relax to stable platforms that move indefinitly with constant speed. (Author)

  18. Diffusion equations and the time evolution of foreign exchange rates

    Energy Technology Data Exchange (ETDEWEB)

    Figueiredo, Annibal; Castro, Marcio T. de [Institute of Physics, Universidade de Brasília, Brasília DF 70910-900 (Brazil); Fonseca, Regina C.B. da [Department of Mathematics, Instituto Federal de Goiás, Goiânia GO 74055-110 (Brazil); Gleria, Iram, E-mail: iram@fis.ufal.br [Institute of Physics, Federal University of Alagoas, Brazil, Maceió AL 57072-900 (Brazil)

    2013-10-01

    We investigate which type of diffusion equation is most appropriate to describe the time evolution of foreign exchange rates. We modify the geometric diffusion model assuming a non-exponential time evolution and the stochastic term is the sum of a Wiener noise and a jump process. We find the resulting diffusion equation to obey the Kramers–Moyal equation. Analytical solutions are obtained using the characteristic function formalism and compared with empirical data. The analysis focus on the first four central moments considering the returns of foreign exchange rate. It is shown that the proposed model offers a good improvement over the classical geometric diffusion model.

  19. Diffusion equations and the time evolution of foreign exchange rates

    Science.gov (United States)

    Figueiredo, Annibal; de Castro, Marcio T.; da Fonseca, Regina C. B.; Gleria, Iram

    2013-10-01

    We investigate which type of diffusion equation is most appropriate to describe the time evolution of foreign exchange rates. We modify the geometric diffusion model assuming a non-exponential time evolution and the stochastic term is the sum of a Wiener noise and a jump process. We find the resulting diffusion equation to obey the Kramers-Moyal equation. Analytical solutions are obtained using the characteristic function formalism and compared with empirical data. The analysis focus on the first four central moments considering the returns of foreign exchange rate. It is shown that the proposed model offers a good improvement over the classical geometric diffusion model.

  20. Diffusion equations and the time evolution of foreign exchange rates

    International Nuclear Information System (INIS)

    Figueiredo, Annibal; Castro, Marcio T. de; Fonseca, Regina C.B. da; Gleria, Iram

    2013-01-01

    We investigate which type of diffusion equation is most appropriate to describe the time evolution of foreign exchange rates. We modify the geometric diffusion model assuming a non-exponential time evolution and the stochastic term is the sum of a Wiener noise and a jump process. We find the resulting diffusion equation to obey the Kramers–Moyal equation. Analytical solutions are obtained using the characteristic function formalism and compared with empirical data. The analysis focus on the first four central moments considering the returns of foreign exchange rate. It is shown that the proposed model offers a good improvement over the classical geometric diffusion model.

  1. Nodal spectrum method for solving neutron diffusion equation

    International Nuclear Information System (INIS)

    Sanchez, D.; Garcia, C. R.; Barros, R. C. de; Milian, D.E.

    1999-01-01

    Presented here is a new numerical nodal method for solving static multidimensional neutron diffusion equation in rectangular geometry. Our method is based on a spectral analysis of the nodal diffusion equations. These equations are obtained by integrating the diffusion equation in X, Y directions and then considering flat approximations for the current. These flat approximations are the only approximations that are considered in this method, as a result the numerical solutions are completely free from truncation errors. We show numerical results to illustrate the methods accuracy for coarse mesh calculations

  2. Coupled diffusion systems with localized nonlinear reactions

    DEFF Research Database (Denmark)

    Pedersen, M.; Lin, Zhigui

    2001-01-01

    This paper deals with the blowup rate and profile near the blowup time for the system of diffusion equations uit - δui = ui+1Pi(x0, t), (i = 1,...,k, uk+1 := uu) in Ω × (0, T) with boundary conditions ui = 0 on ∂Ω × [0, T). We show that the solution has a global blowup. The exact rate...

  3. Permanganate diffusion and reaction in sedimentary rocks.

    Science.gov (United States)

    Huang, Qiuyuan; Dong, Hailiang; Towne, Rachael M; Fischer, Timothy B; Schaefer, Charles E

    2014-04-01

    In situ chemical oxidation using permanganate has frequently been used to treat chlorinated solvents in fractured bedrock aquifers. However, in systems where matrix back-diffusion is an important process, the ability of the oxidant to migrate and treat target contaminants within the rock matrix will likely determine the overall effectiveness of this remedial approach. In this study, a series of diffusion experiments were performed to measure the permanganate diffusion and reaction in four different types of sedimentary rocks (dark gray mudstone, light gray mudstone, red sandstone, and tan sandstone). Results showed that, within the experimental time frame (~2 months), oxidant migration into the rock was limited to distances less than 500 μm. The observed diffusivities for permanganate into the rock matrices ranged from 5.3 × 10(-13) to 1.3 × 10(-11) cm(2)/s. These values were reasonably predicted by accounting for both the rock oxidant demand and the effective diffusivity of the rock. Various Mn minerals formed as surface coatings from reduction of permanganate coupled with oxidation of total organic carbon (TOC), and the nature of the formed Mn minerals was dependent upon the rock type. Post-treatment tracer testing showed that these Mn mineral coatings had a negligible impact on diffusion through the rock. Overall, our results showed that the extent of permanganate diffusion and reaction depended on rock properties, including porosity, mineralogy, and organic carbon. These results have important implications for our understanding of long-term organic contaminant remediation in sedimentary rocks using permanganate. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. Decay to Equilibrium for Energy-Reaction-Diffusion Systems

    KAUST Repository

    Haskovec, Jan

    2018-02-06

    We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient flow. The novelty of the approach is the Onsager structure, which is the dual form of a gradient system, and the formulation in terms of the densities and the internal energy. In these variables it is possible to assume that the entropy density is strictly concave such that there is a unique maximizer (thermodynamical equilibrium) given linear constraints on the total energy and suitable density constraints. We consider two particular systems of this type, namely, a diffusion-reaction bipolar energy transport system, and a drift-diffusion-reaction energy transport system with confining potential. We prove corresponding entropy-entropy production inequalities with explicitly calculable constants and establish the convergence to thermodynamical equilibrium, first in entropy and later in L norm using Cziszár–Kullback–Pinsker type inequalities.

  5. Decay to Equilibrium for Energy-Reaction-Diffusion Systems

    KAUST Repository

    Haskovec, Jan; Hittmeir, Sabine; Markowich, Peter A.; Mielke, Alexander

    2018-01-01

    We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient flow. The novelty of the approach is the Onsager structure, which is the dual form of a gradient system, and the formulation in terms of the densities and the internal energy. In these variables it is possible to assume that the entropy density is strictly concave such that there is a unique maximizer (thermodynamical equilibrium) given linear constraints on the total energy and suitable density constraints. We consider two particular systems of this type, namely, a diffusion-reaction bipolar energy transport system, and a drift-diffusion-reaction energy transport system with confining potential. We prove corresponding entropy-entropy production inequalities with explicitly calculable constants and establish the convergence to thermodynamical equilibrium, first in entropy and later in L norm using Cziszár–Kullback–Pinsker type inequalities.

  6. Reaction-diffusion pulses: a combustion model

    International Nuclear Information System (INIS)

    Campos, Daniel; Llebot, Josep Enric; Fort, Joaquim

    2004-01-01

    We focus on a reaction-diffusion approach proposed recently for experiments on combustion processes, where the heat released by combustion follows first-order reaction kinetics. This case allows us to perform an exhaustive analytical study. Specifically, we obtain the exact expressions for the speed of the thermal pulses, their maximum temperature and the condition of self-sustenance. Finally, we propose two generalizations of the model, namely, the case of several reactants burning together, and that of time-delayed heat conduction. We find an excellent agreement between our analytical results and simulations

  7. Reaction-diffusion pulses: a combustion model

    Energy Technology Data Exchange (ETDEWEB)

    Campos, Daniel [Grup de FIsica EstadIstica, Dept. de FIsica, Universitat Autonoma de Barcelona, E-08193 Bellaterrra (Spain); Llebot, Josep Enric [Grup de FIsica EstadIstica, Dept. de FIsica, Universitat Autonoma de Barcelona, E-08193 Bellaterrra (Spain); Fort, Joaquim [Dept. de FIsica, Univ. de Girona, Campus de Montilivi, 17071 Girona, Catalonia (Spain)

    2004-07-02

    We focus on a reaction-diffusion approach proposed recently for experiments on combustion processes, where the heat released by combustion follows first-order reaction kinetics. This case allows us to perform an exhaustive analytical study. Specifically, we obtain the exact expressions for the speed of the thermal pulses, their maximum temperature and the condition of self-sustenance. Finally, we propose two generalizations of the model, namely, the case of several reactants burning together, and that of time-delayed heat conduction. We find an excellent agreement between our analytical results and simulations.

  8. Laser Spot Detection Based on Reaction Diffusion

    OpenAIRE

    Alejandro Vázquez-Otero; Danila Khikhlukha; J. M. Solano-Altamirano; Raquel Dormido; Natividad Duro

    2016-01-01

    Center-location of a laser spot is a problem of interest when the laser is used for processing and performing measurements. Measurement quality depends on correctly determining the location of the laser spot. Hence, improving and proposing algorithms for the correct location of the spots are fundamental issues in laser-based measurements. In this paper we introduce a Reaction Diffusion (RD) system as the main computational framework for robustly finding laser spot centers. The method presente...

  9. Reaction effects in diffusive shock acceleration

    International Nuclear Information System (INIS)

    Drury, L.Oc.

    1984-01-01

    The effects of the reaction of accelerated particles back on the shock wave in the diffusive-shock-acceleration model of cosmic-ray generation are investigated theoretically. Effects examined include changes in the shock structure, modifications of the input and output spectra, scattering effects, and possible instabilities in the small-scale structure. It is pointed out that the latter two effects are applicable to any spatially localized acceleration mechanism. 14 references

  10. Diffusion limited reactions in crystalline solids

    International Nuclear Information System (INIS)

    Fastenau, R.

    1982-01-01

    Diffusion limited reactions in crystal lattices are studied with diffusion and random walk theory. First the random walk on a crystal lattice is studied. These results are used in a formal study of diffusion limited reactions in which the following simplified traps are discussed: planes, cylinders, spheres, disks and rings. The traps are either present at the start of the process (annealing) or fed into the crystal at a constant rate (continuous production). For the study of trapping processes occurring in real crystals it was necessary to investigate the interaction of the reacting species on the atomic level. Using lattice relaxation calculations, several reactions were studied. These calculations result in a model for the potential energy of the crystal versus the separation of the reaction partners. This model is used in Monte Carlo simulations of the trapping process, which are made at a high trap density, since the extrapolation to the low density regime can be made using the formal part of this work. The following reactions were studied: the trapping of interstitial helium atoms by vacancies, self interstitial vacancy recombination, the trapping of vacancies by immobile, helium filled, vacancies and the capture of self interstitials and vacancies by dislocations. A part of these results is used in two models for the low temperature nucleation and growth of bubbles due to helium bombardment. The models described give the right bubble density versus helium dose, but differ widely in the fraction of helium present in the bubbles found. A mechanism of blistering based on a percolation effect is also discussed. (Auth.)

  11. External boundary effects on simultaneous diffusion and reaction processes

    International Nuclear Information System (INIS)

    Le Roux, M.N.; Wilhelmsson, H.

    1989-01-01

    External boundaries influence the spatial and temporal structure of evolution of dynamic systems governed by reaction-diffusion equations. Critical limits, i.e. thresholds for explosive growth or onset of diffusion dominated decay, are found to be caused by the presence of the boundary and to depend on: the position of the boundary, where the density is assumed to be zero at any instant of time: the mutual weights (coefficients) and powers of the nonlinear reaction and diffusion processes; and the initial spatial distribution. However, for particular relations between the nonlinear powers of the reaction and diffusion terms the critical limits do not depend on the initial conditions. The results are obtained by simulation experiment for one, two and three dimensions. Trends in the dynamic evolution of the system with an external boundary imposed are compared with the corresponding analytic results obtained for free boundary. Interesting applications are found in various areas, e.g. in the field of high temperature fusion plasma where the evolution of the temperature profile for the so-called H-mode (constant plasma density) is described

  12. Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium.

    Science.gov (United States)

    Horowitz, Jordan M

    2015-07-28

    The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochastic thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.

  13. Size dependent diffusive parameters and tensorial diffusion equations in neutronic models for optically small nuclear systems

    International Nuclear Information System (INIS)

    Premuda, F.

    1983-01-01

    Two lines in improved neutron diffusion theory extending the efficiency of finite-difference diffusion codes to the field of optically small systems, are here reviewed. The firs involves the nodal solution for tensorial diffusion equation in slab geometry and tensorial formulation in parallelepiped and cylindrical gemometry; the dependence of critical eigenvalue from small slab thicknesses is also analitically investigated and finally a regularized tensorial diffusion equation is derived for slab. The other line refer to diffusion models formally unchanged with respect to the classical one, but where new size-dependent RTGB definitions for diffusion parameters are adopted, requiring that they allow to reproduce, in diffusion approach, the terms of neutron transport global balance; the trascendental equation for the buckling, arising in slab, sphere and parallelepiped geometry from the above requirement, are reported and the sizedependence of the new diffusion coefficient and extrapolated end point is investigated

  14. Final report [on solving the multigroup diffusion equations

    International Nuclear Information System (INIS)

    Birkhoff, G.

    1975-01-01

    Progress achieved in the development of variational methods for solving the multigroup neutron diffusion equations is described. An appraisal is made of the extent to which improved variational methods could advantageously replace difference methods currently used

  15. Diffusive Wave Approximation to the Shallow Water Equations: Computational Approach

    KAUST Repository

    Collier, Nathan; Radwan, Hany; Dalcin, Lisandro; Calo, Victor M.

    2011-01-01

    We discuss the use of time adaptivity applied to the one dimensional diffusive wave approximation to the shallow water equations. A simple and computationally economical error estimator is discussed which enables time-step size adaptivity

  16. Distribution in flowing reaction-diffusion systems

    KAUST Repository

    Kamimura, Atsushi; Herrmann, Hans J.; Ito, Nobuyasu

    2009-01-01

    A power-law distribution is found in the density profile of reacting systems A+B→C+D and 2A→2C under a flow in two and three dimensions. Different densities of reactants A and B are fixed at both ends. For the reaction A+B, the concentration of reactants asymptotically decay in space as x-1/2 and x-3/4 in two dimensions and three dimensions, respectively. For 2A, it decays as log (x) /x in two dimensions. The decay of A+B is explained considering the effect of segregation of reactants in the isotropic case. The decay for 2A is explained by the marginal behavior of two-dimensional diffusion. A logarithmic divergence of the diffusion constant with system size is found in two dimensions. © 2009 The American Physical Society.

  17. Distribution in flowing reaction-diffusion systems

    KAUST Repository

    Kamimura, Atsushi

    2009-12-28

    A power-law distribution is found in the density profile of reacting systems A+B→C+D and 2A→2C under a flow in two and three dimensions. Different densities of reactants A and B are fixed at both ends. For the reaction A+B, the concentration of reactants asymptotically decay in space as x-1/2 and x-3/4 in two dimensions and three dimensions, respectively. For 2A, it decays as log (x) /x in two dimensions. The decay of A+B is explained considering the effect of segregation of reactants in the isotropic case. The decay for 2A is explained by the marginal behavior of two-dimensional diffusion. A logarithmic divergence of the diffusion constant with system size is found in two dimensions. © 2009 The American Physical Society.

  18. 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)

  19. The numerical simulation of convection delayed dominated diffusion equation

    Directory of Open Access Journals (Sweden)

    Mohan Kumar P. Murali

    2016-01-01

    Full Text Available In this paper, we propose a fitted numerical method for solving convection delayed dominated diffusion equation. A fitting factor is introduced and the model equation is discretized by cubic spline method. The error analysis is analyzed for the consider problem. The numerical examples are solved using the present method and compared the result with the exact solution.

  20. Higher Order and Fractional Diffusive Equations

    Directory of Open Access Journals (Sweden)

    D. Assante

    2015-07-01

    Full Text Available We discuss the solution of various generalized forms of the Heat Equation, by means of different tools ranging from the use of Hermite-Kampé de Fériet polynomials of higher and fractional order to operational techniques. We show that these methods are useful to obtain either numerical or analytical solutions.

  1. Galerkin method for solving diffusion equations

    International Nuclear Information System (INIS)

    Tsapelkin, E.S.

    1975-01-01

    A programme for the solution of the three-dimensional two-group multizone neutron diffusion problem in (x, y, z)-geometry is described. The programme XYZ-5 gives the currents of both groups, the effective neutron multiplication coefficient and several integral properties of the reactor. The solution was found with the Galerkin method using speciallly constructed and chosen coordinate functions. The programme is written in ALGOL-60 and consists of 5 parts. Its text is given

  2. New variable separation approach: application to nonlinear diffusion equations

    International Nuclear Information System (INIS)

    Zhang Shunli; Lou, S Y; Qu Changzheng

    2003-01-01

    The concept of the derivative-dependent functional separable solution (DDFSS), as a generalization to the functional separable solution, is proposed. As an application, it is used to discuss the generalized nonlinear diffusion equations based on the generalized conditional symmetry approach. As a consequence, a complete list of canonical forms for such equations which admit the DDFSS is obtained and some exact solutions to the resulting equations are described

  3. Semianalytic Solution of Space-Time Fractional Diffusion Equation

    Directory of Open Access Journals (Sweden)

    A. Elsaid

    2016-01-01

    Full Text Available We study the space-time fractional diffusion equation with spatial Riesz-Feller fractional derivative and Caputo fractional time derivative. The continuation of the solution of this fractional equation to the solution of the corresponding integer order equation is proved. The series solution of this problem is obtained via the optimal homotopy analysis method (OHAM. Numerical simulations are presented to validate the method and to show the effect of changing the fractional derivative parameters on the solution behavior.

  4. Similarity Solutions for Multiterm Time-Fractional Diffusion Equation

    OpenAIRE

    Elsaid, A.; Abdel Latif, M. S.; Maneea, M.

    2016-01-01

    Similarity method is employed to solve multiterm time-fractional diffusion equation. The orders of the fractional derivatives belong to the interval (0,1] and are defined in the Caputo sense. We illustrate how the problem is reduced from a multiterm two-variable fractional partial differential equation to a multiterm ordinary fractional differential equation. Power series solution is obtained for the resulting ordinary problem and the convergence of the series solution is discussed. Based on ...

  5. The Dirichlet problem of a conformable advection-diffusion equation

    Directory of Open Access Journals (Sweden)

    Avci Derya

    2017-01-01

    Full Text Available The fractional advection-diffusion equations are obtained from a fractional power law for the matter flux. Diffusion processes in special types of porous media which has fractal geometry can be modelled accurately by using these equations. However, the existing nonlocal fractional derivatives seem complicated and also lose some basic properties satisfied by usual derivatives. For these reasons, local fractional calculus has recently been emerged to simplify the complexities of fractional models defined by nonlocal fractional operators. In this work, the conformable, a local, well-behaved and limit-based definition, is used to obtain a local generalized form of advection-diffusion equation. In addition, this study is devoted to give a local generalized description to the combination of diffusive flux governed by Fick’s law and the advection flux associated with the velocity field. As a result, the constitutive conformable advection-diffusion equation can be easily achieved. A Dirichlet problem for conformable advection-diffusion equation is derived by applying fractional Laplace transform with respect to time t and finite sin-Fourier transform with respect to spatial coordinate x. Two illustrative examples are presented to show the behaviours of this new local generalized model. The dependence of the solution on the fractional order of conformable derivative and the changing values of problem parameters are validated using graphics held by MATLcodes.

  6. Heat Diffusion in Gases, Including Effects of Chemical Reaction

    Science.gov (United States)

    Hansen, C. Frederick

    1960-01-01

    The diffusion of heat through gases is treated where the coefficients of thermal conductivity and diffusivity are functions of temperature. The diffusivity is taken proportional to the integral of thermal conductivity, where the gas is ideal, and is considered constant over the temperature interval in which a chemical reaction occurs. The heat diffusion equation is then solved numerically for a semi-infinite gas medium with constant initial and boundary conditions. These solutions are in a dimensionless form applicable to gases in general, and they are used, along with measured shock velocity and heat flux through a shock reflecting surface, to evaluate the integral of thermal conductivity for air up to 5000 degrees Kelvin. This integral has the properties of a heat flux potential and replaces temperature as the dependent variable for problems of heat diffusion in media with variable coefficients. Examples are given in which the heat flux at the stagnation region of blunt hypersonic bodies is expressed in terms of this potential.

  7. Modeling of Reaction Processes Controlled by Diffusion

    International Nuclear Information System (INIS)

    Revelli, Jorge

    2003-01-01

    Stochastic modeling is quite powerful in science and technology.The technics derived from this process have been used with great success in laser theory, biological systems and chemical reactions.Besides, they provide a theoretical framework for the analysis of experimental results on the field of particle's diffusion in ordered and disordered materials.In this work we analyze transport processes in one-dimensional fluctuating media, which are media that change their state in time.This fact induces changes in the movements of the particles giving rise to different phenomena and dynamics that will be described and analyzed in this work.We present some random walk models to describe these fluctuating media.These models include state transitions governed by different dynamical processes.We also analyze the trapping problem in a lattice by means of a simple model which predicts a resonance-like phenomenon.Also we study effective diffusion processes over surfaces due to random walks in the bulk.We consider different boundary conditions and transitions movements.We derive expressions that describe diffusion behaviors constrained to bulk restrictions and the dynamic of the particles.Finally it is important to mention that the theoretical results obtained from the models proposed in this work are compared with Monte Carlo simulations.We find, in general, excellent agreements between the theory and the simulations

  8. Linear fractional diffusion-wave equation for scientists and engineers

    CERN Document Server

    Povstenko, Yuriy

    2015-01-01

    This book systematically presents solutions to the linear time-fractional diffusion-wave equation. It introduces the integral transform technique and discusses the properties of the Mittag-Leffler, Wright, and Mainardi functions that appear in the solutions. The time-nonlocal dependence between the flux and the gradient of the transported quantity with the “long-tail” power kernel results in the time-fractional diffusion-wave equation with the Caputo fractional derivative. Time-nonlocal generalizations of classical Fourier’s, Fick’s and Darcy’s laws are considered and different kinds of boundary conditions for this equation are discussed (Dirichlet, Neumann, Robin, perfect contact). The book provides solutions to the fractional diffusion-wave equation with one, two and three space variables in Cartesian, cylindrical and spherical coordinates. The respective sections of the book can be used for university courses on fractional calculus, heat and mass transfer, transport processes in porous media and ...

  9. Stochastic differential equations and diffusion processes

    CERN Document Server

    Ikeda, N

    1989-01-01

    Being a systematic treatment of the modern theory of stochastic integrals and stochastic differential equations, the theory is developed within the martingale framework, which was developed by J.L. Doob and which plays an indispensable role in the modern theory of stochastic analysis.A considerable number of corrections and improvements have been made for the second edition of this classic work. In particular, major and substantial changes are in Chapter III and Chapter V where the sections treating excursions of Brownian Motion and the Malliavin Calculus have been expanded and refined. Sectio

  10. Multi-diffusive nonlinear Fokker–Planck equation

    International Nuclear Information System (INIS)

    Ribeiro, Mauricio S; Casas, Gabriela A; Nobre, Fernando D

    2017-01-01

    Nonlinear Fokker–Planck equations, characterized by more than one diffusion term, have appeared recently in literature. Here, it is shown that these equations may be derived either from approximations in a master equation, or from a Langevin-type approach. An H-theorem is proven, relating these Fokker–Planck equations to an entropy composed by a sum of contributions, each of them associated with a given diffusion term. Moreover, the stationary state of the Fokker–Planck equation is shown to coincide with the equilibrium state, obtained by extremization of the entropy, in the sense that both procedures yield precisely the same equation. Due to the nonlinear character of this equation, the equilibrium probability may be obtained, in most cases, only by means of numerical approaches. Some examples are worked out, where the equilibrium probability distribution is computed for nonlinear Fokker–Planck equations presenting two diffusion terms, corresponding to an entropy characterized by a sum of two contributions. It is shown that the resulting equilibrium distribution, in general, presents a form that differs from a sum of the equilibrium distributions that maximizes each entropic contribution separately, although in some cases one may construct such a linear combination as a good approximation for the equilibrium distribution. (paper)

  11. Representing Rate Equations for Enzyme-Catalyzed Reactions

    Science.gov (United States)

    Ault, Addison

    2011-01-01

    Rate equations for enzyme-catalyzed reactions are derived and presented in a way that makes it easier for the nonspecialist to see how the rate of an enzyme-catalyzed reaction depends upon kinetic constants and concentrations. This is done with distribution equations that show how the rate of the reaction depends upon the relative quantities of…

  12. A discrete model to study reaction-diffusion-mechanics systems.

    Science.gov (United States)

    Weise, Louis D; Nash, Martyn P; Panfilov, Alexander V

    2011-01-01

    This article introduces a discrete reaction-diffusion-mechanics (dRDM) model to study the effects of deformation on reaction-diffusion (RD) processes. The dRDM framework employs a FitzHugh-Nagumo type RD model coupled to a mass-lattice model, that undergoes finite deformations. The dRDM model describes a material whose elastic properties are described by a generalized Hooke's law for finite deformations (Seth material). Numerically, the dRDM approach combines a finite difference approach for the RD equations with a Verlet integration scheme for the equations of the mass-lattice system. Using this framework results were reproduced on self-organized pacemaking activity that have been previously found with a continuous RD mechanics model. Mechanisms that determine the period of pacemakers and its dependency on the medium size are identified. Finally it is shown how the drift direction of pacemakers in RDM systems is related to the spatial distribution of deformation and curvature effects.

  13. A discrete model to study reaction-diffusion-mechanics systems.

    Directory of Open Access Journals (Sweden)

    Louis D Weise

    Full Text Available This article introduces a discrete reaction-diffusion-mechanics (dRDM model to study the effects of deformation on reaction-diffusion (RD processes. The dRDM framework employs a FitzHugh-Nagumo type RD model coupled to a mass-lattice model, that undergoes finite deformations. The dRDM model describes a material whose elastic properties are described by a generalized Hooke's law for finite deformations (Seth material. Numerically, the dRDM approach combines a finite difference approach for the RD equations with a Verlet integration scheme for the equations of the mass-lattice system. Using this framework results were reproduced on self-organized pacemaking activity that have been previously found with a continuous RD mechanics model. Mechanisms that determine the period of pacemakers and its dependency on the medium size are identified. Finally it is shown how the drift direction of pacemakers in RDM systems is related to the spatial distribution of deformation and curvature effects.

  14. Existence of global solutions to reaction-diffusion systems via a Lyapunov functional

    Directory of Open Access Journals (Sweden)

    Said Kouachi

    2001-10-01

    Full Text Available The purpose of this paper is to construct polynomial functionals (according to solutions of the coupled reaction-diffusion equations which give $L^{p}$-bounds for solutions. When the reaction terms are sufficiently regular, using the well known regularizing effect, we deduce the existence of global solutions. These functionals are obtained independently of work done by Malham and Xin [11].

  15. 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)

  16. Synchronization of Reaction-Diffusion Neural Networks With Dirichlet Boundary Conditions and Infinite Delays.

    Science.gov (United States)

    Sheng, Yin; Zhang, Hao; Zeng, Zhigang

    2017-10-01

    This paper is concerned with synchronization for a class of reaction-diffusion neural networks with Dirichlet boundary conditions and infinite discrete time-varying delays. By utilizing theories of partial differential equations, Green's formula, inequality techniques, and the concept of comparison, algebraic criteria are presented to guarantee master-slave synchronization of the underlying reaction-diffusion neural networks via a designed controller. Additionally, sufficient conditions on exponential synchronization of reaction-diffusion neural networks with finite time-varying delays are established. The proposed criteria herein enhance and generalize some published ones. Three numerical examples are presented to substantiate the validity and merits of the obtained theoretical results.

  17. Laser Spot Detection Based on Reaction Diffusion.

    Science.gov (United States)

    Vázquez-Otero, Alejandro; Khikhlukha, Danila; Solano-Altamirano, J M; Dormido, Raquel; Duro, Natividad

    2016-03-01

    Center-location of a laser spot is a problem of interest when the laser is used for processing and performing measurements. Measurement quality depends on correctly determining the location of the laser spot. Hence, improving and proposing algorithms for the correct location of the spots are fundamental issues in laser-based measurements. In this paper we introduce a Reaction Diffusion (RD) system as the main computational framework for robustly finding laser spot centers. The method presented is compared with a conventional approach for locating laser spots, and the experimental results indicate that RD-based computation generates reliable and precise solutions. These results confirm the flexibility of the new computational paradigm based on RD systems for addressing problems that can be reduced to a set of geometric operations.

  18. Laser Spot Detection Based on Reaction Diffusion

    Directory of Open Access Journals (Sweden)

    Alejandro Vázquez-Otero

    2016-03-01

    Full Text Available Center-location of a laser spot is a problem of interest when the laser is used for processing and performing measurements. Measurement quality depends on correctly determining the location of the laser spot. Hence, improving and proposing algorithms for the correct location of the spots are fundamental issues in laser-based measurements. In this paper we introduce a Reaction Diffusion (RD system as the main computational framework for robustly finding laser spot centers. The method presented is compared with a conventional approach for locating laser spots, and the experimental results indicate that RD-based computation generates reliable and precise solutions. These results confirm the flexibility of the new computational paradigm based on RD systems for addressing problems that can be reduced to a set of geometric operations.

  19. Unconditionally stable diffusion-acceleration of the transport equation

    International Nuclear Information System (INIS)

    Larson, E.W.

    1982-01-01

    The standard iterative procedure for solving fixed-source discrete-ordinates problems converges very slowly for problems in optically thick regions with scattering ratios c near unity. The diffusion-synthetic acceleration method has been proposed to make use of the fact that for this class of problems, the diffusion equation is often an accurate approximation to the transport equation. However, stability difficulties have historically hampered the implementation of this method for general transport differencing schemes. In this article we discuss a recently developed procedure for obtaining unconditionally stable diffusion-synthetic acceleration methods for various transport differencing schemes. We motivate the analysis by first discussing the exact transport equation; then we illustrate the procedure by deriving a new stable acceleration method for the linear discontinuous transport differencing scheme. We also provide some numerical results

  20. Unconditionally stable diffusion-acceleration of the transport equation

    International Nuclear Information System (INIS)

    Larsen, E.W.

    1982-01-01

    The standard iterative procedure for solving fixed-source discrete-ordinates problems converges very slowly for problems in optically large regions with scattering ratios c near unity. The diffusion-synthetic acceleration method has been proposed to make use of the fact that for this class of problems the diffusion equation is often an accurate approximation to the transport equation. However, stability difficulties have historically hampered the implementation of this method for general transport differencing schemes. In this article we discuss a recently developed procedure for obtaining unconditionally stable diffusion-synthetic acceleration methods for various transport differencing schemes. We motivate the analysis by first discussing the exact transport equation; then we illustrate the procedure by deriving a new stable acceleration method for the linear discontinuous transport differencing scheme. We also provide some numerical results

  1. Reaction and diffusion in turbulent combustion

    Energy Technology Data Exchange (ETDEWEB)

    Pope, S.B. [Mechanical and Aerospace Engineering, Ithaca, NY (United States)

    1993-12-01

    The motivation for this project is the need to obtain a better quantitative understanding of the technologically-important phenomenon of turbulent combustion. In nearly all applications in which fuel is burned-for example, fossil-fuel power plants, furnaces, gas-turbines and internal-combustion engines-the combustion takes place in a turbulent flow. Designers continually demand more quantitative information about this phenomenon-in the form of turbulent combustion models-so that they can design equipment with increased efficiency and decreased environmental impact. For some time the PI has been developing a class of turbulent combustion models known as PDF methods. These methods have the important virtue that both convection and reaction can be treated without turbulence-modelling assumptions. However, a mixing model is required to account for the effects of molecular diffusion. Currently, the available mixing models are known to have some significant defects. The major motivation of the project is to seek a better understanding of molecular diffusion in turbulent reactive flows, and hence to develop a better mixing model.

  2. Fractional Number Operator and Associated Fractional Diffusion Equations

    Science.gov (United States)

    Rguigui, Hafedh

    2018-03-01

    In this paper, we study the fractional number operator as an analog of the finite-dimensional fractional Laplacian. An important relation with the Ornstein-Uhlenbeck process is given. Using a semigroup approach, the solution of the Cauchy problem associated to the fractional number operator is presented. By means of the Mittag-Leffler function and the Laplace transform, we give the solution of the Caputo time fractional diffusion equation and Riemann-Liouville time fractional diffusion equation in infinite dimensions associated to the fractional number operator.

  3. Separating variables in two-way diffusion equations

    International Nuclear Information System (INIS)

    Fisch, N.J.; Kruskal, M.D.

    1979-10-01

    It is shown that solutions to a class of diffusion equations of the two-way type may be found by a method akin to separation of variables. The difficulty with such equations is that the boundary data must be specified partly as initial and partly as final conditions. In contrast to the one-way diffusion equation, where the solution separates only into decaying eigenfunctions, the two-way equations separate into both decaying and growing eigenfunctions. Criteria are set forth for the existence of linear eigenfunctions, which may not be found directly by separating variables. A speculation with interesting ramifications is that the growing and decaying eigenfunctions are separately complete in an appropriate half of the problem domain

  4. Modeling of the interplay between single-file diffusion and conversion reaction in mesoporous systems

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jing [Iowa State Univ., Ames, IA (United States)

    2013-01-11

    We analyze the spatiotemporal behavior of species concentrations in a diffusion-mediated conversion reaction which occurs at catalytic sites within linear pores of nanometer diameter. A strict single-file (no passing) constraint occurs in the diffusion within such narrow pores. Both transient and steady-state behavior is precisely characterized by kinetic Monte Carlo simulations of a spatially discrete lattice–gas model for this reaction–diffusion process considering various distributions of catalytic sites. Exact hierarchical master equations can also be developed for this model. Their analysis, after application of mean-field type truncation approximations, produces discrete reaction–diffusion type equations (mf-RDE). For slowly varying concentrations, we further develop coarse-grained continuum hydrodynamic reaction–diffusion equations (h-RDE) incorporating a precise treatment of single-file diffusion (SFD) in this multispecies system. Noting the shortcomings of mf-RDE and h-RDE, we then develop a generalized hydrodynamic (GH) formulation of appropriate gh-RDE which incorporates an unconventional description of chemical diffusion in mixed-component quasi-single-file systems based on a refined picture of tracer diffusion for finite-length pores. The gh-RDE elucidate the non-exponential decay of the steady-state reactant concentration into the pore and the non-mean-field scaling of the reactant penetration depth. Then an extended model of a catalytic conversion reaction within a functionalized nanoporous material is developed to assess the effect of varying the reaction product – pore interior interaction from attractive to repulsive. The analysis is performed utilizing the generalized hydrodynamic formulation of the reaction-diffusion equations which can reliably capture the complex interplay between reaction and restricted transport for both irreversible and reversible reactions.

  5. Analytical solution to the hybrid diffusion-transport equation

    International Nuclear Information System (INIS)

    Nanneh, M.M.; Williams, M.M.R.

    1986-01-01

    A special integral equation was derived in previous work using a hybrid diffusion-transport theory method for calculating the flux distribution in slab lattices. In this paper an analytical solution of this equation has been carried out on a finite reactor lattice. The analytical results of disadvantage factors are shown to be accurate in comparison with the numerical results and accurate transport theory calculations. (author)

  6. Solutions for a diffusion equation with a backbone term

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  7. Liquefaction of Saturated Soil and the Diffusion Equation

    Science.gov (United States)

    Sawicki, Andrzej; Sławińska, Justyna

    2015-06-01

    The paper deals with the diffusion equation for pore water pressures with the source term, which is widely promoted in the marine engineering literature. It is shown that such an equation cannot be derived in a consistent way from the mass balance and the Darcy law. The shortcomings of the artificial source term are pointed out, including inconsistencies with experimental data. It is concluded that liquefaction and the preceding process of pore pressure generation and the weakening of the soil skeleton should be described by constitutive equations within the well-known framework of applied mechanics. Relevant references are provided

  8. High order backward discretization of the neutron diffusion equation

    Energy Technology Data Exchange (ETDEWEB)

    Ginestar, D.; Bru, R.; Marin, J. [Universidad Politecnica de Valencia (Spain). Departamento de Matematica Aplicada; Verdu, G.; Munoz-Cobo, J.L. [Universidad Politecnica de Valencia (Spain). Departamento de Ingenieria Quimica y Nuclear; Vidal, V. [Universidad Politecnica de Valencia (Spain). Departamento de Sistemas Informaticos y Computacion

    1997-11-21

    Fast codes capable of dealing with three-dimensional geometries, are needed to be able to simulate spatially complicated transients in a nuclear reactor. We propose a new discretization technique for the time integration of the neutron diffusion equation, based on the backward difference formulas for systems of stiff ordinary differential equations. This method needs to solve a system of linear equations for each integration step, and for this purpose, we have developed an iterative block algorithm combined with a variational acceleration technique. We tested the algorithm with two benchmark problems, and compared the results with those provided by other codes, concluding that the performance and overall agreement are very good. (author).

  9. Similarity Solutions for Multiterm Time-Fractional Diffusion Equation

    Directory of Open Access Journals (Sweden)

    A. Elsaid

    2016-01-01

    Full Text Available Similarity method is employed to solve multiterm time-fractional diffusion equation. The orders of the fractional derivatives belong to the interval (0,1] and are defined in the Caputo sense. We illustrate how the problem is reduced from a multiterm two-variable fractional partial differential equation to a multiterm ordinary fractional differential equation. Power series solution is obtained for the resulting ordinary problem and the convergence of the series solution is discussed. Based on the obtained results, we propose a definition for a multiterm error function with generalized coefficients.

  10. Mixed and mixed-hybrid elements for the diffusion equation

    International Nuclear Information System (INIS)

    Coulomb, F.; Fedon-Magnaud, C.

    1987-04-01

    To solve the diffusion equation, one often uses a Lagrangian finite element method. We want to introduce the mixed elements which allow a simultaneous approximation of the same order for the flux and its gradient. Though the linear systems are not positive definite, it is possible to make them so by eliminating some of the unknowns

  11. On the numerical solution of the neutron fractional diffusion equation

    International Nuclear Information System (INIS)

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

    2014-01-01

    Highlights: • The new version of neutron diffusion equation which established on the fractional derivatives is presented. • The Neutron Fractional Diffusion Equation (NFDE) is solved in the finite differences frame. • NFDE is solved using shifted Grünwald-Letnikov definition of fractional operators. • The results show that “K eff ” strongly depends on the order of fractional derivative. - Abstract: In order to core calculation in the nuclear reactors there is a new version of neutron diffusion equation which is established on the fractional partial derivatives, named Neutron Fractional Diffusion Equation (NFDE). In the NFDE model, neutron flux in each zone depends directly on the all previous zones (not only on the nearest neighbors). Under this circumstance, it can be said that the NFDE has the space history. We have developed a one-dimension code, NFDE-1D, which can simulate the reactor core using arbitrary exponent of differential operators. In this work a numerical solution of the NFDE is presented using shifted Grünwald-Letnikov definition of fractional derivative in finite differences frame. The model is validated with some numerical experiments where different orders of fractional derivative are considered (e.g. 0.999, 0.98, 0.96, and 0.94). The results show that the effective multiplication factor (K eff ) depends strongly on the order of fractional derivative

  12. 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

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

    Science.gov (United States)

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

    2017-03-14

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

  14. Multiscale Reaction-Diffusion Algorithms: PDE-Assisted Brownian Dynamics

    KAUST Repository

    Franz, Benjamin

    2013-06-19

    Two algorithms that combine Brownian dynami cs (BD) simulations with mean-field partial differential equations (PDEs) are presented. This PDE-assisted Brownian dynamics (PBD) methodology provides exact particle tracking data in parts of the domain, whilst making use of a mean-field reaction-diffusion PDE description elsewhere. The first PBD algorithm couples BD simulations with PDEs by randomly creating new particles close to the interface, which partitions the domain, and by reincorporating particles into the continuum PDE-description when they cross the interface. The second PBD algorithm introduces an overlap region, where both descriptions exist in parallel. It is shown that the overlap region is required to accurately compute variances using PBD simulations. Advantages of both PBD approaches are discussed and illustrative numerical examples are presented. © 2013 Society for Industrial and Applied Mathematics.

  15. Nonlinear variational models for reaction and diffusion systems

    International Nuclear Information System (INIS)

    Tanyi, G.E.

    1983-08-01

    There exists a natural metric w.r.t. which the density dependent diffusion operator is harmonic in the sense of Eells and Sampson. A physical corollary of this statement is the property that any two regular points on the orbit of a reaction or diffusion operator can be connected by a path along which the reaction rate is constant. (author)

  16. Catalytic conversion reactions mediated by single-file diffusion in linear nanopores: hydrodynamic versus stochastic behavior.

    Science.gov (United States)

    Ackerman, David M; Wang, Jing; Wendel, Joseph H; Liu, Da-Jiang; Pruski, Marek; Evans, James W

    2011-03-21

    We analyze the spatiotemporal behavior of species concentrations in a diffusion-mediated conversion reaction which occurs at catalytic sites within linear pores of nanometer diameter. Diffusion within the pores is subject to a strict single-file (no passing) constraint. Both transient and steady-state behavior is precisely characterized by kinetic Monte Carlo simulations of a spatially discrete lattice-gas model for this reaction-diffusion process considering various distributions of catalytic sites. Exact hierarchical master equations can also be developed for this model. Their analysis, after application of mean-field type truncation approximations, produces discrete reaction-diffusion type equations (mf-RDE). For slowly varying concentrations, we further develop coarse-grained continuum hydrodynamic reaction-diffusion equations (h-RDE) incorporating a precise treatment of single-file diffusion in this multispecies system. The h-RDE successfully describe nontrivial aspects of transient behavior, in contrast to the mf-RDE, and also correctly capture unreactive steady-state behavior in the pore interior. However, steady-state reactivity, which is localized near the pore ends when those regions are catalytic, is controlled by fluctuations not incorporated into the hydrodynamic treatment. The mf-RDE partly capture these fluctuation effects, but cannot describe scaling behavior of the reactivity.

  17. Innovation diffusion equations on correlated scale-free networks

    Energy Technology Data Exchange (ETDEWEB)

    Bertotti, M.L., E-mail: marialetizia.bertotti@unibz.it [Free University of Bozen–Bolzano, Faculty of Science and Technology, Bolzano (Italy); Brunner, J., E-mail: johannes.brunner@tis.bz.it [TIS Innovation Park, Bolzano (Italy); Modanese, G., E-mail: giovanni.modanese@unibz.it [Free University of Bozen–Bolzano, Faculty of Science and Technology, Bolzano (Italy)

    2016-07-29

    Highlights: • The Bass diffusion model can be formulated on scale-free networks. • In the trickle-down version, the hubs adopt earlier and act as monitors. • We improve the equations in order to describe trickle-up diffusion. • Innovation is generated at the network periphery, and hubs can act as stiflers. • We compare diffusion times, in dependence on the scale-free exponent. - Abstract: We introduce a heterogeneous network structure into the Bass diffusion model, in order to study the diffusion times of innovation or information in networks with a scale-free structure, typical of regions where diffusion is sensitive to geographic and logistic influences (like for instance Alpine regions). We consider both the diffusion peak times of the total population and of the link classes. In the familiar trickle-down processes the adoption curve of the hubs is found to anticipate the total adoption in a predictable way. In a major departure from the standard model, we model a trickle-up process by introducing heterogeneous publicity coefficients (which can also be negative for the hubs, thus turning them into stiflers) and a stochastic term which represents the erratic generation of innovation at the periphery of the network. The results confirm the robustness of the Bass model and expand considerably its range of applicability.

  18. Innovation diffusion equations on correlated scale-free networks

    International Nuclear Information System (INIS)

    Bertotti, M.L.; Brunner, J.; Modanese, G.

    2016-01-01

    Highlights: • The Bass diffusion model can be formulated on scale-free networks. • In the trickle-down version, the hubs adopt earlier and act as monitors. • We improve the equations in order to describe trickle-up diffusion. • Innovation is generated at the network periphery, and hubs can act as stiflers. • We compare diffusion times, in dependence on the scale-free exponent. - Abstract: We introduce a heterogeneous network structure into the Bass diffusion model, in order to study the diffusion times of innovation or information in networks with a scale-free structure, typical of regions where diffusion is sensitive to geographic and logistic influences (like for instance Alpine regions). We consider both the diffusion peak times of the total population and of the link classes. In the familiar trickle-down processes the adoption curve of the hubs is found to anticipate the total adoption in a predictable way. In a major departure from the standard model, we model a trickle-up process by introducing heterogeneous publicity coefficients (which can also be negative for the hubs, thus turning them into stiflers) and a stochastic term which represents the erratic generation of innovation at the periphery of the network. The results confirm the robustness of the Bass model and expand considerably its range of applicability.

  19. Continuous Dependence in Front Propagation for Convective Reaction-Diffusion Models with Aggregative Movements

    Directory of Open Access Journals (Sweden)

    Luisa Malaguti

    2011-01-01

    Full Text Available The paper deals with a degenerate reaction-diffusion equation, including aggregative movements and convective terms. The model also incorporates a real parameter causing the change from a purely diffusive to a diffusive-aggregative and to a purely aggregative regime. Existence and qualitative properties of traveling wave solutions are investigated, and estimates of their threshold speeds are furnished. Further, the continuous dependence of the threshold wave speed and of the wave profiles on a real parameter is studied, both when the process maintains its diffusion-aggregation nature and when it switches from it to another regime.

  20. An interpolation between the wave and diffusion equations through the fractional evolution equations Dirac like

    International Nuclear Information System (INIS)

    Pierantozzi, T.; Vazquez, L.

    2005-01-01

    Through fractional calculus and following the method used by Dirac to obtain his well-known equation from the Klein-Gordon equation, we analyze a possible interpolation between the Dirac and the diffusion equations in one space dimension. We study the transition between the hyperbolic and parabolic behaviors by means of the generalization of the D'Alembert formula for the classical wave equation and the invariance under space and time inversions of the interpolating fractional evolution equations Dirac like. Such invariance depends on the values of the fractional index and is related to the nonlocal property of the time fractional differential operator. For this system of fractional evolution equations, we also find an associated conserved quantity analogous to the Hamiltonian for the classical Dirac case

  1. Exact substitute processes for diffusion-reaction systems with local complete exclusion rules

    International Nuclear Information System (INIS)

    Schulz, Michael; Reineker, Peter

    2005-01-01

    Lattice systems with one species diffusion-reaction processes under local complete exclusion rules are studied analytically starting from the usual master equations with discrete variables and their corresponding representation in a Fock space. On this basis, a formulation of the transition probability as a Grassmann path integral is derived in a straightforward manner. It will be demonstrated that this Grassmann path integral is equivalent to a set of Ito stochastic differential equations. Averages of arbitrary variables and correlation functions of the underlying diffusion-reaction system can be expressed as weighted averages over all solutions of the system of stochastic differential equations. Furthermore, these differential equations are equivalent to a Fokker-Planck equation describing the probability distribution of the actual Ito solutions. This probability distribution depends on continuous variables in contrast to the original master equation, and their stochastic dynamics may be interpreted as a substitute process which is completely equivalent to the original lattice dynamics. Especially, averages and correlation functions of the continuous variables are connected to the corresponding lattice quantities by simple relations. Although the substitute process for diffusion-reaction systems with exclusion rules has some similarities to the well-known substitute process for the same system without exclusion rules, there exists a set of remarkable differences. The given approach is not only valid for the discussed single-species processes. We give sufficient arguments to show that arbitrary combinations of unimolecular and bimolecular lattice reactions under complete local exclusions may be described in terms of our approach

  2. Delay-induced wave instabilities in single-species reaction-diffusion systems

    Science.gov (United States)

    Otto, Andereas; Wang, Jian; Radons, Günter

    2017-11-01

    The Turing (wave) instability is only possible in reaction-diffusion systems with more than one (two) components. Motivated by the fact that a time delay increases the dimension of a system, we investigate the presence of diffusion-driven instabilities in single-species reaction-diffusion systems with delay. The stability of arbitrary one-component systems with a single discrete delay, with distributed delay, or with a variable delay is systematically analyzed. We show that a wave instability can appear from an equilibrium of single-species reaction-diffusion systems with fluctuating or distributed delay, which is not possible in similar systems with constant discrete delay or without delay. More precisely, we show by basic analytic arguments and by numerical simulations that fast asymmetric delay fluctuations or asymmetrically distributed delays can lead to wave instabilities in these systems. Examples, for the resulting traveling waves are shown for a Fisher-KPP equation with distributed delay in the reaction term. In addition, we have studied diffusion-induced instabilities from homogeneous periodic orbits in the same systems with variable delay, where the homogeneous periodic orbits are attracting resonant periodic solutions of the system without diffusion, i.e., periodic orbits of the Hutchinson equation with time-varying delay. If diffusion is introduced, standing waves can emerge whose temporal period is equal to the period of the variable delay.

  3. Flexible single molecule simulation of reaction-diffusion processes

    International Nuclear Information System (INIS)

    Hellander, Stefan; Loetstedt, Per

    2011-01-01

    An algorithm is developed for simulation of the motion and reactions of single molecules at a microscopic level. The molecules diffuse in a solvent and react with each other or a polymer and molecules can dissociate. Such simulations are of interest e.g. in molecular biology. The algorithm is similar to the Green's function reaction dynamics (GFRD) algorithm by van Zon and ten Wolde where longer time steps can be taken by computing the probability density functions (PDFs) and then sample from the distribution functions. Our computation of the PDFs is much less complicated than GFRD and more flexible. The solution of the partial differential equation for the PDF is split into two steps to simplify the calculations. The sampling is without splitting error in two of the coordinate directions for a pair of molecules and a molecule-polymer interaction and is approximate in the third direction. The PDF is obtained either from an analytical solution or a numerical discretization. The errors due to the operator splitting, the partitioning of the system, and the numerical approximations are analyzed. The method is applied to three different systems involving up to four reactions. Comparisons with other mesoscopic and macroscopic models show excellent agreement.

  4. Mass transfer rate through liquid membranes: interfacial chemical reactions and diffusion as simultaneous permeability controlling factors

    International Nuclear Information System (INIS)

    Danesi, P.R.; Horwitz, E.P.; Vandegrift, G.F.; Chiarizia, R.

    1981-01-01

    Equations describing the permeability of a liquid membrane to metal cations have been derived taking into account aqueous diffusion, membrane diffusion, and interfacial chemical reactions as simultaneous permeability controlling factors. Diffusion and chemical reactions have been coupled by a simple model analogous to the one previously described by us to represent liquid-liquid extraction kinetics. The derived equations, which make use of experimentally determined interfacial reaction mechanisms, qualitatively fit unexplained literature data regarding Cu 2+ transfer through liquid membranes. Their use to predict and optimize membrane permeability in practical separation processes by setting the appropriate concentration of the membrane carrier [LIX 64 (General Mills), a commercial β-hydroxy-oxime] and the pH of the aqueous copper feed solution is briefly discussed. 4 figures

  5. Support Operators Method for the Diffusion Equation in Multiple Materials

    Energy Technology Data Exchange (ETDEWEB)

    Winters, Andrew R. [Los Alamos National Laboratory; Shashkov, Mikhail J. [Los Alamos National Laboratory

    2012-08-14

    A second-order finite difference scheme for the solution of the diffusion equation on non-uniform meshes is implemented. The method allows the heat conductivity to be discontinuous. The algorithm is formulated on a one dimensional mesh and is derived using the support operators method. A key component of the derivation is that the discrete analog of the flux operator is constructed to be the negative adjoint of the discrete divergence, in an inner product that is a discrete analog of the continuum inner product. The resultant discrete operators in the fully discretized diffusion equation are symmetric and positive definite. The algorithm is generalized to operate on meshes with cells which have mixed material properties. A mechanism to recover intermediate temperature values in mixed cells using a limited linear reconstruction is introduced. The implementation of the algorithm is verified and the linear reconstruction mechanism is compared to previous results for obtaining new material temperatures.

  6. Discrete formulation for two-dimensional multigroup neutron diffusion equations

    Energy Technology Data Exchange (ETDEWEB)

    Vosoughi, Naser E-mail: vosoughi@mehr.sharif.edu; Salehi, Ali A.; Shahriari, Majid

    2003-02-01

    The objective of this paper is to introduce a new numerical method for neutronic calculation in a reactor core. This method can produce the final finite form of the neutron diffusion equation by classifying the neutronic variables and using two kinds of cell complexes without starting from the conventional differential form of the neutron diffusion equation. The method with linear interpolation produces the same convergence as the linear continuous finite element method. The quadratic interpolation is proven; the convergence order depends on the shape of the dual cell. The maximum convergence order is achieved by choosing the dual cell based on two Gauss' points. The accuracy of the method was examined with a well-known IAEA two-dimensional benchmark problem. The numerical results demonstrate the effectiveness of the new method.

  7. Discrete formulation for two-dimensional multigroup neutron diffusion equations

    International Nuclear Information System (INIS)

    Vosoughi, Naser; Salehi, Ali A.; Shahriari, Majid

    2003-01-01

    The objective of this paper is to introduce a new numerical method for neutronic calculation in a reactor core. This method can produce the final finite form of the neutron diffusion equation by classifying the neutronic variables and using two kinds of cell complexes without starting from the conventional differential form of the neutron diffusion equation. The method with linear interpolation produces the same convergence as the linear continuous finite element method. The quadratic interpolation is proven; the convergence order depends on the shape of the dual cell. The maximum convergence order is achieved by choosing the dual cell based on two Gauss' points. The accuracy of the method was examined with a well-known IAEA two-dimensional benchmark problem. The numerical results demonstrate the effectiveness of the new method

  8. Nonlocal Symmetries to Systems of Nonlinear Diffusion Equations

    International Nuclear Information System (INIS)

    Qu Changzheng; Kang Jing

    2008-01-01

    In this paper, we study potential symmetries to certain systems of nonlinear diffusion equations. Those systems have physical applications in soil science, mathematical biology, and invariant curve flows in R 3 . Lie point symmetries of the potential system, which cannot be projected to vector fields of the given dependent and independent variables, yield potential symmetries. The class of the system that admits potential symmetries is expanded.

  9. Domain decomposition method for solving the neutron diffusion equation

    International Nuclear Information System (INIS)

    Coulomb, F.

    1989-03-01

    The aim of this work is to study methods for solving the neutron diffusion equation; we are interested in methods based on a classical finite element discretization and well suited for use on parallel computers. Domain decomposition methods seem to answer this preoccupation. This study deals with a decomposition of the domain. A theoretical study is carried out for Lagrange finite elements and some examples are given; in the case of mixed dual finite elements, the study is based on examples [fr

  10. HEXAN - a hexagonal nodal code for solving the diffusion equation

    International Nuclear Information System (INIS)

    Makai, M.

    1982-07-01

    This report describes the theory of and provides a user's manual for the HEXAN program, which is a nodal program for the solution of the few-group diffusion equation in hexagonal geometry. Based upon symmetry considerations, the theory provides an analytical solution in a homogeneous node. WWER and HTGR test problem solutions are presented. The equivalence of the finite-difference scheme and the response matrix method is proven. The properties of a symmetric node's response matrix are investigated. (author)

  11. Stochastic analysis of complex reaction networks using binomial moment equations.

    Science.gov (United States)

    Barzel, Baruch; Biham, Ofer

    2012-09-01

    The stochastic analysis of complex reaction networks is a difficult problem because the number of microscopic states in such systems increases exponentially with the number of reactive species. Direct integration of the master equation is thus infeasible and is most often replaced by Monte Carlo simulations. While Monte Carlo simulations are a highly effective tool, equation-based formulations are more amenable to analytical treatment and may provide deeper insight into the dynamics of the network. Here, we present a highly efficient equation-based method for the analysis of stochastic reaction networks. The method is based on the recently introduced binomial moment equations [Barzel and Biham, Phys. Rev. Lett. 106, 150602 (2011)]. The binomial moments are linear combinations of the ordinary moments of the probability distribution function of the population sizes of the interacting species. They capture the essential combinatorics of the reaction processes reflecting their stoichiometric structure. This leads to a simple and transparent form of the equations, and allows a highly efficient and surprisingly simple truncation scheme. Unlike ordinary moment equations, in which the inclusion of high order moments is prohibitively complicated, the binomial moment equations can be easily constructed up to any desired order. The result is a set of equations that enables the stochastic analysis of complex reaction networks under a broad range of conditions. The number of equations is dramatically reduced from the exponential proliferation of the master equation to a polynomial (and often quadratic) dependence on the number of reactive species in the binomial moment equations. The aim of this paper is twofold: to present a complete derivation of the binomial moment equations; to demonstrate the applicability of the moment equations for a representative set of example networks, in which stochastic effects play an important role.

  12. Passing to the limit in a Wasserstein gradient flow : from diffusion to reaction

    NARCIS (Netherlands)

    Arnrich, S.; Mielke, A.; Peletier, M.A.; Savaré, G.; Veneroni, M.

    2012-01-01

    We study a singular-limit problem arising in the modelling of chemical reactions. At finite e > 0, the system is described by a Fokker-Planck convection-diffusion equation with a double-well convection potential. This potential is scaled by 1 / e and in the limit e --> 0, the solution concentrates

  13. Brownian motion in a field of force and the diffusion theory of chemical reactions. II

    NARCIS (Netherlands)

    Brinkman, H.C.

    1956-01-01

    H. A. Kramers has studied the rate of chemical reactions in view of the Brownian forces caused by a surrounding medium in temperature equilibrium. In a previous paper 3) the author gave a solution of Kramers' diffusion equation in phase space by systematic development. In this paper the general

  14. The Induced Dimension Reduction method applied to convection-diffusion-reaction problems

    NARCIS (Netherlands)

    Astudillo, R.; Van Gijzen, M.B.

    2016-01-01

    Discretization of (linearized) convection-diffusion-reaction problems yields a large and sparse non symmetric linear system of equations, Ax = b. (1) In this work, we compare the computational behavior of the Induced Dimension Reduction method (IDR(s)) [10], with other short-recurrences Krylov

  15. The Multigroup Neutron Diffusion Equations/1 Space Dimension

    Energy Technology Data Exchange (ETDEWEB)

    Linde, Sven

    1960-06-15

    A description is given of a program for the Ferranti Mercury computer which solves the one-dimensional multigroup diffusion equations in plane, cylindrical or spherical geometry, and also approximates automatically a two-dimensional solution by separating the space variables. In section A the method of calculation is outlined and the preparation of data for two group problems is described. The spatial separation of two-dimensional equations is considered in section B. Section C covers the multigroup equations. These parts are self contained and include all information required for the use of the program. Details of the numerical methods are given in section D. Three sample problems are solved in section E. Punching and operating instructions are given in an appendix.

  16. A mixed finite element method for nonlinear diffusion equations

    KAUST Repository

    Burger, Martin; Carrillo, José ; Wolfram, Marie-Therese

    2010-01-01

    We propose a mixed finite element method for a class of nonlinear diffusion equations, which is based on their interpretation as gradient flows in optimal transportation metrics. We introduce an appropriate linearization of the optimal transport problem, which leads to a mixed symmetric formulation. This formulation preserves the maximum principle in case of the semi-discrete scheme as well as the fully discrete scheme for a certain class of problems. In addition solutions of the mixed formulation maintain exponential convergence in the relative entropy towards the steady state in case of a nonlinear Fokker-Planck equation with uniformly convex potential. We demonstrate the behavior of the proposed scheme with 2D simulations of the porous medium equations and blow-up questions in the Patlak-Keller-Segel model. © American Institute of Mathematical Sciences.

  17. Solution of 3-dimensional diffusion equation by finite Fourier transformation

    International Nuclear Information System (INIS)

    Krishnani, P.D.

    1978-01-01

    Three dimensional diffusion equation in Cartesian co-ordinates is solved by using the finite Fourier transformation. This method is different from the usual Fourier transformation method in the sense that the solutions are obtained without performing the inverse Fourier transformation. The advantage has been taken of the fact that the flux is finite and integrable in the finite region. By applying this condition, a two-dimensional integral equation, involving flux and its normal derivative at the boundary, is obtained. By solving this equation with given boundary conditions, all of the boundary values are determined. In order to calculate the flux inside the region, flux is expanded into three-dimensional Fourier series. The Fourier coefficients of the flux in the region are calculated from the boundary values. The advantage of this method is that the integrated flux is obtained without knowing the fluxes inside the region as in the case of finite difference method. (author)

  18. The Multigroup Neutron Diffusion Equations/1 Space Dimension

    International Nuclear Information System (INIS)

    Linde, Sven

    1960-06-01

    A description is given of a program for the Ferranti Mercury computer which solves the one-dimensional multigroup diffusion equations in plane, cylindrical or spherical geometry, and also approximates automatically a two-dimensional solution by separating the space variables. In section A the method of calculation is outlined and the preparation of data for two group problems is described. The spatial separation of two-dimensional equations is considered in section B. Section C covers the multigroup equations. These parts are self contained and include all information required for the use of the program. Details of the numerical methods are given in section D. Three sample problems are solved in section E. Punching and operating instructions are given in an appendix

  19. Diffusion-controlled reactions modeling in Geant4-DNA

    Czech Academy of Sciences Publication Activity Database

    Karamitros, M.; Luan, S.; Bernal, M. A.; Allison, J.; Baldacchino, G.; Davídková, Marie; Francis, Z.; Friedland, W.; Ivanchenko, A.; Ivanchenko, V.; Mantero, A.; Nieminen, P.; Santin, G.; Tran, H. N.; Stepan, V.; Incerti, S.

    2014-01-01

    Roč. 274, OCT (2014), s. 841-882 ISSN 0021-9991 Institutional support: RVO:61389005 Keywords : chemical kinetics simulation * radiation chemistry * Fokker-Planck equation * Smoluchowski diffusion equation * Brownian bridge * dynamical time steps * k-d tree * radiolysis * radiobiology * Geant4-DNA * Brownian dynamics Subject RIV: BO - Biophysics Impact factor: 2.434, year: 2014

  20. Nonlinear reaction-diffusion systems conditional symmetry, exact solutions and their applications in biology

    CERN Document Server

    Cherniha, Roman

    2017-01-01

    This book presents several fundamental results in solving nonlinear reaction-diffusion equations and systems using symmetry-based methods. Reaction-diffusion systems are fundamental modeling tools for mathematical biology with applications to ecology, population dynamics, pattern formation, morphogenesis, enzymatic reactions and chemotaxis. The book discusses the properties of nonlinear reaction-diffusion systems, which are relevant for biological applications, from the symmetry point of view, providing rigorous definitions and constructive algorithms to search for conditional symmetry (a nontrivial generalization of the well-known Lie symmetry) of nonlinear reaction-diffusion systems. In order to present applications to population dynamics, it focuses mainly on two- and three-component diffusive Lotka-Volterra systems. While it is primarily a valuable guide for researchers working with reaction-diffusion systems  and those developing the theoretical aspects of conditional symmetry conception,...

  1. Thermally activated reaction–diffusion-controlled chemical bulk reactions of gases and solids

    Directory of Open Access Journals (Sweden)

    S. Möller

    2015-01-01

    Full Text Available The chemical kinetics of the reaction of thin films with reactive gases is investigated. The removal of thin films using thermally activated solid–gas to gas reactions is a method to in-situ control deposition inventory in vacuum and plasma vessels. Significant scatter of experimental deposit removal rates at apparently similar conditions was observed in the past, highlighting the need for understanding the underlying processes. A model based on the presence of reactive gas in the films bulk and chemical kinetics is presented. The model describes the diffusion of reactive gas into the film and its chemical interaction with film constituents in the bulk using a stationary reaction–diffusion equation. This yields the reactive gas concentration and reaction rates. Diffusion and reaction rate limitations are depicted in parameter studies. Comparison with literature data on tokamak co-deposit removal results in good agreement of removal rates as a function of pressure, film thickness and temperature.

  2. Reaction time for trimolecular reactions in compartment-based reaction-diffusion models

    Science.gov (United States)

    Li, Fei; Chen, Minghan; Erban, Radek; Cao, Yang

    2018-05-01

    Trimolecular reaction models are investigated in the compartment-based (lattice-based) framework for stochastic reaction-diffusion modeling. The formulae for the first collision time and the mean reaction time are derived for the case where three molecules are present in the solution under periodic boundary conditions. For the case of reflecting boundary conditions, similar formulae are obtained using a computer-assisted approach. The accuracy of these formulae is further verified through comparison with numerical results. The presented derivation is based on the first passage time analysis of Montroll [J. Math. Phys. 10, 753 (1969)]. Montroll's results for two-dimensional lattice-based random walks are adapted and applied to compartment-based models of trimolecular reactions, which are studied in one-dimensional or pseudo one-dimensional domains.

  3. Reaction diffusion in chromium-zircaloy-2 system

    International Nuclear Information System (INIS)

    Xiang Wenxin; Ying Shihao

    2001-01-01

    Reaction diffusion in the chromium-zircaloy-2 diffusion couples is investigated in the temperature range of 1023 - 1123 K. Scanning electron microscope (SEM) and energy dispersive spectrum (EDS) were used to measure the thickness of the reaction layer and to determine the Zr, Fe and Cr concentration penetrate profile in reaction layer, respectively. The growth kinetics of reaction layer has been studied and the results show that the growth of intermetallic compound is controlled by the process of volume diffusion as the layer growth approximately obeys the parabolic law. Interdiffusion coefficients were calculated using Boltzmann-Matano-Heumann model. Calculated interdiffusion coefficients were compared with those obtained on the condition that Cr dissolves in Zr and merely forms dilute solid solution. The comparison indicates that Cr diffuses in dilute solid solution is five orders of magnitude faster than in Zr(Fe, Cr) 2 intermetallic compound

  4. Splitting Schemes & Segregation In Reaction-(Cross-)Diffusion Systems

    OpenAIRE

    Carrillo, José A.; Fagioli, Simone; Santambrogio, Filippo; Schmidtchen, Markus

    2017-01-01

    One of the most fascinating phenomena observed in reaction-diffusion systems is the emergence of segregated solutions, i.e. population densities with disjoint supports. We analyse such a reaction cross-diffusion system. In order to prove existence of weak solutions for a wide class of initial data without restriction about their supports or their positivity, we propose a variational splitting scheme combining ODEs with methods from optimal transport. In addition, this approach allows us to pr...

  5. Cellular automata for spatiotemporal pattern formation from reaction–diffusion partial differential equations

    International Nuclear Information System (INIS)

    Ohmori, Shousuke; Yamazaki, Yoshihiro

    2016-01-01

    Ultradiscrete equations are derived from a set of reaction–diffusion partial differential equations, and cellular automaton rules are obtained on the basis of the ultradiscrete equations. Some rules reproduce the dynamical properties of the original reaction–diffusion equations, namely, bistability and pulse annihilation. Furthermore, other rules bring about soliton-like preservation and periodic pulse generation with a pacemaker, which are not obtained from the original reaction–diffusion equations. (author)

  6. An inverse diffusivity problem for the helium production–diffusion equation

    International Nuclear Information System (INIS)

    Bao, Gang; Xu, Xiang

    2012-01-01

    Thermochronology is a technique for the extraction of information about the thermal history of rocks. Such information is crucial for determining the depth below the surface at which rocks were located at a given time (Bao G et al 2011 Commun. Comput. Phys. 9 129). Mathematically, extracting the time–temperature path can be formulated as an inverse diffusivity problem for the helium production–diffusion equation which is the underlying process of thermochronology. In this paper, to reconstruct the diffusivity which depends on space only and accounts for the structural information of rocks, a local Hölder conditional stability is obtained by a Carleman estimate. A uniqueness result is also proven for extracting the thermal history, i.e. identifying the time-dependant part of the diffusion coefficient, provided that it is analytical with respect to time. Numerical examples are presented to illustrate the validity and effectiveness of the proposed regularization scheme. (paper)

  7. A comparison of certain variational solutions of neutron diffusion equation

    International Nuclear Information System (INIS)

    Altiparmakov, D.V.; Milgram, M.S.

    1987-01-01

    Using the R-function theory and the variational method of Kantorovich, an approximate solution of the neutron diffusion equation is constructed for a homogeneous spatial domain of arbitrary shape. Calculations have been carried out by five different types of trial functions for certain characteristic domains of polygonal shape (square, triangle, hexagon, rhombus nad L-shaped domain). In the case of non-convex polygons, the consequence of the R-function solution is very poor and a separate treatment of singularity seems to be necessary. Compared to the R-function solution, the singular function development is mathematically more complicated but superior in respect to convergence rate. (author)

  8. A Hennart nodal method for the diffusion equation

    International Nuclear Information System (INIS)

    Lesaint, P.; Noceir, S.; Verwaerde, D.

    1995-01-01

    A modification of the Hennart nodal method for neutron diffusion problems is presented. The final system of equations obtained by this method is not positive definite. However, a flux elimination technique leads to a simple positive definite system, which can be solved by the traditional iterative methods. Calculations of a two-dimensional International Atomic Energy Agency benchmark problem are performed and compared with results of the original Hennart nodal method and some finite element methods. The high computational efficiency of this modified nodal method is clearly demonstrated

  9. Multigrid solution of diffusion equations on distributed memory multiprocessor systems

    International Nuclear Information System (INIS)

    Finnemann, H.

    1988-01-01

    The subject is the solution of partial differential equations for simulation of the reactor core on high-performance computers. The parallelization and implementation of nodal multigrid diffusion algorithms on array and ring configurations of the DIRMU multiprocessor system is outlined. The particular iteration scheme employed in the nodal expansion method appears similarly efficient in serial and parallel environments. The combination of modern multi-level techniques with innovative hardware (vector-multiprocessor systems) provides powerful tools needed for real time simulation of physical systems. The parallel efficiencies range from 70 to 90%. The same performance is estimated for large problems on large multiprocessor systems being designed at present. (orig.) [de

  10. Diffusive Wave Approximation to the Shallow Water Equations: Computational Approach

    KAUST Repository

    Collier, Nathan

    2011-05-14

    We discuss the use of time adaptivity applied to the one dimensional diffusive wave approximation to the shallow water equations. A simple and computationally economical error estimator is discussed which enables time-step size adaptivity. This robust adaptive time discretization corrects the initial time step size to achieve a user specified bound on the discretization error and allows time step size variations of several orders of magnitude. In particular, in the one dimensional results presented in this work feature a change of four orders of magnitudes for the time step over the entire simulation.

  11. Diffusion-controlled reactions modeling in Geant4-DNA

    Energy Technology Data Exchange (ETDEWEB)

    Karamitros, M., E-mail: matkara@gmail.com [CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); CNRS, INCIA, UMR 5287, F-33400 Talence (France); Luan, S. [University of New Mexico, Department of Computer Science, Albuquerque, NM (United States); Bernal, M.A. [Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, SP (Brazil); Allison, J. [Geant4 Associates International Ltd (United Kingdom); Baldacchino, G. [CEA Saclay, IRAMIS, LIDYL, Radiation Physical Chemistry Group, F-91191 Gif sur Yvette Cedex (France); CNRS, UMR3299, SIS2M, F-91191 Gif sur Yvette Cedex (France); Davidkova, M. [Nuclear Physics Institute of the ASCR, Prague (Czech Republic); Francis, Z. [Saint Joseph University, Faculty of Sciences, Department of Physics, Mkalles, Beirut (Lebanon); Friedland, W. [Helmholtz Zentrum München, German Research Center for Environmental Health, Institute of Radiation Protection, Ingolstädter Landstr. 1, 85764 Neuherberg (Germany); Ivantchenko, V. [Ecoanalytica, 119899 Moscow (Russian Federation); Geant4 Associates International Ltd (United Kingdom); Ivantchenko, A. [Geant4 Associates International Ltd (United Kingdom); Mantero, A. [SwHaRD s.r.l., via Buccari 9, 16153 Genova (Italy); Nieminem, P.; Santin, G. [ESA-ESTEC, 2200 AG Noordwijk (Netherlands); Tran, H.N. [Division of Nuclear Physics and Faculty of Applied Sciences, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Stepan, V. [CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); Nuclear Physics Institute of the ASCR, Prague (Czech Republic); Incerti, S., E-mail: incerti@cenbg.in2p3.fr [CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France)

    2014-10-01

    Context Under irradiation, a biological system undergoes a cascade of chemical reactions that can lead to an alteration of its normal operation. There are different types of radiation and many competing reactions. As a result the kinetics of chemical species is extremely complex. The simulation becomes then a powerful tool which, by describing the basic principles of chemical reactions, can reveal the dynamics of the macroscopic system. To understand the dynamics of biological systems under radiation, since the 80s there have been on-going efforts carried out by several research groups to establish a mechanistic model that consists in describing all the physical, chemical and biological phenomena following the irradiation of single cells. This approach is generally divided into a succession of stages that follow each other in time: (1) the physical stage, where the ionizing particles interact directly with the biological material; (2) the physico-chemical stage, where the targeted molecules release their energy by dissociating, creating new chemical species; (3) the chemical stage, where the new chemical species interact with each other or with the biomolecules; (4) the biological stage, where the repairing mechanisms of the cell come into play. This article focuses on the modeling of the chemical stage. Method This article presents a general method of speeding-up chemical reaction simulations in fluids based on the Smoluchowski equation and Monte-Carlo methods, where all molecules are explicitly simulated and the solvent is treated as a continuum. The model describes diffusion-controlled reactions. This method has been implemented in Geant4-DNA. The keys to the new algorithm include: (1) the combination of a method to compute time steps dynamically with a Brownian bridge process to account for chemical reactions, which avoids costly fixed time step simulations; (2) a k–d tree data structure for quickly locating, for a given molecule, its closest reactants. The

  12. The entropy dissipation method for spatially inhomogeneous reaction-diffusion-type systems

    KAUST Repository

    Di Francesco, M.

    2008-12-08

    We study the long-time asymptotics of reaction-diffusion-type systems that feature a monotone decaying entropy (Lyapunov, free energy) functional. We consider both bounded domains and confining potentials on the whole space for arbitrary space dimensions. Our aim is to derive quantitative expressions for (or estimates of) the rates of convergence towards an (entropy minimizing) equilibrium state in terms of the constants of diffusion and reaction and with respect to conserved quantities. Our method, the so-called entropy approach, seeks to quantify convergence to equilibrium by using functional inequalities, which relate quantitatively the entropy and its dissipation in time. The entropy approach is well suited to nonlinear problems and known to be quite robust with respect to model variations. It has already been widely applied to scalar diffusion-convection equations, and the main goal of this paper is to study its generalization to systems of partial differential equations that contain diffusion and reaction terms and admit fewer conservation laws than the size of the system. In particular, we successfully apply the entropy approach to general linear systems and to a nonlinear example of a reaction-diffusion-convection system arising in solid-state physics as a paradigm for general nonlinear systems. © 2008 The Royal Society.

  13. Asymptotic analysis of reaction-diffusion-advection problems: Fronts with periodic motion and blow-up

    Science.gov (United States)

    Nefedov, Nikolay

    2017-02-01

    This is an extended variant of the paper presented at MURPHYS-HSFS 2016 conference in Barcelona. We discuss further development of the asymptotic method of differential inequalities to investigate existence and stability of sharp internal layers (fronts) for nonlinear singularly perturbed periodic parabolic problems and initial boundary value problems with blow-up of fronts for reaction-diffusion-advection equations. In particular, we consider periodic solutions with internal layer in the case of balanced reaction. For the initial boundary value problems we prove the existence of fronts and give their asymptotic approximation including the new case of blowing-up fronts. This case we illustrate by the generalised Burgers equation.

  14. 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

  15. Chaotic dynamics and diffusion in a piecewise linear equation

    Science.gov (United States)

    Shahrear, Pabel; Glass, Leon; Edwards, Rod

    2015-03-01

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

  16. Non-equilibrium reaction rates in chemical kinetic equations

    Science.gov (United States)

    Gorbachev, Yuriy

    2018-05-01

    Within the recently proposed asymptotic method for solving the Boltzmann equation for chemically reacting gas mixture, the chemical kinetic equations has been derived. Corresponding one-temperature non-equilibrium reaction rates are expressed in terms of specific heat capacities of the species participate in the chemical reactions, bracket integrals connected with the internal energy transfer in inelastic non-reactive collisions and energy transfer coefficients. Reactions of dissociation/recombination of homonuclear and heteronuclear diatomic molecules are considered. It is shown that all reaction rates are the complex functions of the species densities, similarly to the unimolecular reaction rates. For determining the rate coefficients it is recommended to tabulate corresponding bracket integrals, additionally to the equilibrium rate constants. Correlation of the obtained results with the irreversible thermodynamics is established.

  17. Connecting complexity with spectral entropy using the Laplace transformed solution to the fractional diffusion equation

    Science.gov (United States)

    Liang, Yingjie; Chen, Wen; Magin, Richard L.

    2016-07-01

    Analytical solutions to the fractional diffusion equation are often obtained by using Laplace and Fourier transforms, which conveniently encode the order of the time and the space derivatives (α and β) as non-integer powers of the conjugate transform variables (s, and k) for the spectral and the spatial frequencies, respectively. This study presents a new solution to the fractional diffusion equation obtained using the Laplace transform and expressed as a Fox's H-function. This result clearly illustrates the kinetics of the underlying stochastic process in terms of the Laplace spectral frequency and entropy. The spectral entropy is numerically calculated by using the direct integration method and the adaptive Gauss-Kronrod quadrature algorithm. Here, the properties of spectral entropy are investigated for the cases of sub-diffusion and super-diffusion. We find that the overall spectral entropy decreases with the increasing α and β, and that the normal or Gaussian case with α = 1 and β = 2, has the lowest spectral entropy (i.e., less information is needed to describe the state of a Gaussian process). In addition, as the neighborhood over which the entropy is calculated increases, the spectral entropy decreases, which implies a spatial averaging or coarse graining of the material properties. Consequently, the spectral entropy is shown to provide a new way to characterize the temporal correlation of anomalous diffusion. Future studies should be designed to examine changes of spectral entropy in physical, chemical and biological systems undergoing phase changes, chemical reactions and tissue regeneration.

  18. Analytically solvable models of reaction-diffusion systems

    Energy Technology Data Exchange (ETDEWEB)

    Zemskov, E P; Kassner, K [Institut fuer Theoretische Physik, Otto-von-Guericke-Universitaet, Universitaetsplatz 2, 39106 Magdeburg (Germany)

    2004-05-01

    We consider a class of analytically solvable models of reaction-diffusion systems. An analytical treatment is possible because the nonlinear reaction term is approximated by a piecewise linear function. As particular examples we choose front and pulse solutions to illustrate the matching procedure in the one-dimensional case.

  19. Parallel solutions of the two-group neutron diffusion equations

    International Nuclear Information System (INIS)

    Zee, K.S.; Turinsky, P.J.

    1987-01-01

    Recent efforts to adapt various numerical solution algorithms to parallel computer architectures have addressed the possibility of substantially reducing the running time of few-group neutron diffusion calculations. The authors have developed an efficient iterative parallel algorithm and an associated computer code for the rapid solution of the finite difference method representation of the two-group neutron diffusion equations on the CRAY X/MP-48 supercomputer having multi-CPUs and vector pipelines. For realistic simulation of light water reactor cores, the code employees a macroscopic depletion model with trace capability for selected fission product transients and critical boron. In addition to this, moderator and fuel temperature feedback models are also incorporated into the code. The validity of the physics models used in the code were benchmarked against qualified codes and proved accurate. This work is an extension of previous work in that various feedback effects are accounted for in the system; the entire code is structured to accommodate extensive vectorization; and an additional parallelism by multitasking is achieved not only for the solution of the matrix equations associated with the inner iterations but also for the other segments of the code, e.g., outer iterations

  20. Reaction-diffusion models of decontamination

    DEFF Research Database (Denmark)

    Hjorth, Poul G.

    A contaminant, which also contains a polymer is in the form of droplets on a solid surface. It is to be removed by the action of a decontaminant, which is applied in aqueous solution. The contaminant is only sparingly soluble in water, so the reaction mechanism is that it slowly dissolves...

  1. On Solution of a Fractional Diffusion Equation by Homotopy Transform Method

    International Nuclear Information System (INIS)

    Salah, A.; Hassan, S.S.A.

    2012-01-01

    The homotopy analysis transform method (HATM) is applied in this work in order to find the analytical solution of fractional diffusion equations (FDE). These equations are obtained from standard diffusion equations by replacing a second-order space derivative by a fractional derivative of order α and a first order time derivative by a fractional derivative. Furthermore, some examples are given. Numerical results show that the homotopy analysis transform method is easy to implement and accurate when applied to a fractional diffusion equations.

  2. Ionic diffusion through confined geometries: from Langevin equations to partial differential equations

    International Nuclear Information System (INIS)

    Nadler, Boaz; Schuss, Zeev; Singer, Amit; Eisenberg, R S

    2004-01-01

    Ionic diffusion through and near small domains is of considerable importance in molecular biophysics in applications such as permeation through protein channels and diffusion near the charged active sites of macromolecules. The motion of the ions in these settings depends on the specific nanoscale geometry and charge distribution in and near the domain, so standard continuum type approaches have obvious limitations. The standard machinery of equilibrium statistical mechanics includes microscopic details, but is also not applicable, because these systems are usually not in equilibrium due to concentration gradients and to the presence of an external applied potential, which drive a non-vanishing stationary current through the system. We present a stochastic molecular model for the diffusive motion of interacting particles in an external field of force and a derivation of effective partial differential equations and their boundary conditions that describe the stationary non-equilibrium system. The interactions can include electrostatic, Lennard-Jones and other pairwise forces. The analysis yields a new type of Poisson-Nernst-Planck equations, that involves conditional and unconditional charge densities and potentials. The conditional charge densities are the non-equilibrium analogues of the well studied pair correlation functions of equilibrium statistical physics. Our proposed theory is an extension of equilibrium statistical mechanics of simple fluids to stationary non-equilibrium problems. The proposed system of equations differs from the standard Poisson-Nernst-Planck system in two important aspects. First, the force term depends on conditional densities and thus on the finite size of ions, and second, it contains the dielectric boundary force on a discrete ion near dielectric interfaces. Recently, various authors have shown that both of these terms are important for diffusion through confined geometries in the context of ion channels

  3. Effects of chemical reaction on moving isothermal vertical plate with variable mass diffusion

    Directory of Open Access Journals (Sweden)

    Muthucumaraswamy R.

    2003-01-01

    Full Text Available An exact solution to the problem of flow past an impulsively started infinite vertical isothermal plate with variable mass diffusion is presented here, taking into account of the homogeneous chemical reaction of first-order. The dimensionless governing equations are solved by using the Laplace - transform technique. The velocity and skin-friction are studied for different parameters like chemical reaction parameter, Schmidt number and buoyancy ratio parameter. It is observed that the veloc­ity increases with decreasing chemical reaction parameter and increases with increasing buoyancy ratio parameter.

  4. Restrictive liquid-phase diffusion and reaction in bidispersed catalysts

    International Nuclear Information System (INIS)

    Lee, S.Y.; Seader, J.D.; Tsai, C.H.; Massoth, F.E.

    1991-01-01

    In this paper, the effect of bidispersed pore-size distribution on liquid-phase diffusion and reaction in NiMo/Al 2 O 3 catalysts is investigated by applying two bidispersed-pore-structure models, the random-pore model and a globular-structure model, to extensive experimental data, which were obtained from sorptive diffusion measurements at ambient conditions and catalytic reaction rate measurements on nitrogen-containing compounds. Transport of the molecules in the catalysts was found to be controlled by micropore diffusion, in accordance with the random-pore model, rather than macropore diffusion as predicted by the globular-structure model. A qualitative criterion for micropore-diffusion control is proposed: relatively small macroporosity and high catalyst pellet density. Since most hydrotreating catalysts have high density, diffusion in these types of catalysts may be controlled by micropore diffusion. Accordingly, it is believed in this case that increasing the size of micropores may be more effective to reduce intraparticle diffusion resistance than incorporating macropores alone

  5. From stochastic processes to numerical methods: A new scheme for solving reaction subdiffusion fractional partial differential equations

    Energy Technology Data Exchange (ETDEWEB)

    Angstmann, C.N.; Donnelly, I.C. [School of Mathematics and Statistics, UNSW Australia, Sydney NSW 2052 (Australia); Henry, B.I., E-mail: B.Henry@unsw.edu.au [School of Mathematics and Statistics, UNSW Australia, Sydney NSW 2052 (Australia); Jacobs, B.A. [School of Computer Science and Applied Mathematics, University of the Witwatersrand, Johannesburg, Private Bag 3, Wits 2050 (South Africa); DST–NRF Centre of Excellence in Mathematical and Statistical Sciences (CoE-MaSS) (South Africa); Langlands, T.A.M. [Department of Mathematics and Computing, University of Southern Queensland, Toowoomba QLD 4350 (Australia); Nichols, J.A. [School of Mathematics and Statistics, UNSW Australia, Sydney NSW 2052 (Australia)

    2016-02-15

    We have introduced a new explicit numerical method, based on a discrete stochastic process, for solving a class of fractional partial differential equations that model reaction subdiffusion. The scheme is derived from the master equations for the evolution of the probability density of a sum of discrete time random walks. We show that the diffusion limit of the master equations recovers the fractional partial differential equation of interest. This limiting procedure guarantees the consistency of the numerical scheme. The positivity of the solution and stability results are simply obtained, provided that the underlying process is well posed. We also show that the method can be applied to standard reaction–diffusion equations. This work highlights the broader applicability of using discrete stochastic processes to provide numerical schemes for partial differential equations, including fractional partial differential equations.

  6. Stability, accuracy and numerical diffusion analysis of nodal expansion method for steady convection diffusion equation

    International Nuclear Information System (INIS)

    Zhou, Xiafeng; Guo, Jiong; Li, Fu

    2015-01-01

    Highlights: • NEMs are innovatively applied to solve convection diffusion equation. • Stability, accuracy and numerical diffusion for NEM are analyzed for the first time. • Stability and numerical diffusion depend on the NEM expansion order and its parity. • NEMs have higher accuracy than both second order upwind and QUICK scheme. • NEMs with different expansion orders are integrated into a unified discrete form. - Abstract: The traditional finite difference method or finite volume method (FDM or FVM) is used for HTGR thermal-hydraulic calculation at present. However, both FDM and FVM require the fine mesh sizes to achieve the desired precision and thus result in a limited efficiency. Therefore, a more efficient and accurate numerical method needs to be developed. Nodal expansion method (NEM) can achieve high accuracy even on the coarse meshes in the reactor physics analysis so that the number of spatial meshes and computational cost can be largely decreased. Because of higher efficiency and accuracy, NEM can be innovatively applied to thermal-hydraulic calculation. In the paper, NEMs with different orders of basis functions are successfully developed and applied to multi-dimensional steady convection diffusion equation. Numerical results show that NEMs with three or higher order basis functions can track the reference solutions very well and are superior to second order upwind scheme and QUICK scheme. However, the false diffusion and unphysical oscillation behavior are discovered for NEMs. To explain the reasons for the above-mentioned behaviors, the stability, accuracy and numerical diffusion properties of NEM are analyzed by the Fourier analysis, and by comparing with exact solutions of difference and differential equation. The theoretical analysis results show that the accuracy of NEM increases with the expansion order. However, the stability and numerical diffusion properties depend not only on the order of basis functions but also on the parity of

  7. Stability, accuracy and numerical diffusion analysis of nodal expansion method for steady convection diffusion equation

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Xiafeng, E-mail: zhou-xf11@mails.tsinghua.edu.cn; Guo, Jiong, E-mail: guojiong12@tsinghua.edu.cn; Li, Fu, E-mail: lifu@tsinghua.edu.cn

    2015-12-15

    Highlights: • NEMs are innovatively applied to solve convection diffusion equation. • Stability, accuracy and numerical diffusion for NEM are analyzed for the first time. • Stability and numerical diffusion depend on the NEM expansion order and its parity. • NEMs have higher accuracy than both second order upwind and QUICK scheme. • NEMs with different expansion orders are integrated into a unified discrete form. - Abstract: The traditional finite difference method or finite volume method (FDM or FVM) is used for HTGR thermal-hydraulic calculation at present. However, both FDM and FVM require the fine mesh sizes to achieve the desired precision and thus result in a limited efficiency. Therefore, a more efficient and accurate numerical method needs to be developed. Nodal expansion method (NEM) can achieve high accuracy even on the coarse meshes in the reactor physics analysis so that the number of spatial meshes and computational cost can be largely decreased. Because of higher efficiency and accuracy, NEM can be innovatively applied to thermal-hydraulic calculation. In the paper, NEMs with different orders of basis functions are successfully developed and applied to multi-dimensional steady convection diffusion equation. Numerical results show that NEMs with three or higher order basis functions can track the reference solutions very well and are superior to second order upwind scheme and QUICK scheme. However, the false diffusion and unphysical oscillation behavior are discovered for NEMs. To explain the reasons for the above-mentioned behaviors, the stability, accuracy and numerical diffusion properties of NEM are analyzed by the Fourier analysis, and by comparing with exact solutions of difference and differential equation. The theoretical analysis results show that the accuracy of NEM increases with the expansion order. However, the stability and numerical diffusion properties depend not only on the order of basis functions but also on the parity of

  8. An inherently parallel method for solving discretized diffusion equations

    International Nuclear Information System (INIS)

    Eccleston, B.R.; Palmer, T.S.

    1999-01-01

    A Monte Carlo approach to solving linear systems of equations is being investigated in the context of the solution of discretized diffusion equations. While the technique was originally devised decades ago, changes in computer architectures (namely, massively parallel machines) have driven the authors to revisit this technique. There are a number of potential advantages to this approach: (1) Analog Monte Carlo techniques are inherently parallel; this is not necessarily true to today's more advanced linear equation solvers (multigrid, conjugate gradient, etc.); (2) Some forms of this technique are adaptive in that they allow the user to specify locations in the problem where resolution is of particular importance and to concentrate the work at those locations; and (3) These techniques permit the solution of very large systems of equations in that matrix elements need not be stored. The user could trade calculational speed for storage if elements of the matrix are calculated on the fly. The goal of this study is to compare the parallel performance of Monte Carlo linear solvers to that of a more traditional parallelized linear solver. The authors observe the linear speedup that they expect from the Monte Carlo algorithm, given that there is no domain decomposition to cause significant communication overhead. Overall, PETSc outperforms the Monte Carlo solver for the test problem. The PETSc parallel performance improves with larger numbers of unknowns for a given number of processors. Parallel performance of the Monte Carlo technique is independent of the size of the matrix and the number of processes. They are investigating modifications to the scheme to accommodate matrix problems with positive off-diagonal elements. They are also currently coding an on-the-fly version of the algorithm to investigate the solution of very large linear systems

  9. Stochastic reaction-diffusion algorithms for macromolecular crowding

    Science.gov (United States)

    Sturrock, Marc

    2016-06-01

    Compartment-based (lattice-based) reaction-diffusion algorithms are often used for studying complex stochastic spatio-temporal processes inside cells. In this paper the influence of macromolecular crowding on stochastic reaction-diffusion simulations is investigated. Reaction-diffusion processes are considered on two different kinds of compartmental lattice, a cubic lattice and a hexagonal close packed lattice, and solved using two different algorithms, the stochastic simulation algorithm and the spatiocyte algorithm (Arjunan and Tomita 2010 Syst. Synth. Biol. 4, 35-53). Obstacles (modelling macromolecular crowding) are shown to have substantial effects on the mean squared displacement and average number of molecules in the domain but the nature of these effects is dependent on the choice of lattice, with the cubic lattice being more susceptible to the effects of the obstacles. Finally, improvements for both algorithms are presented.

  10. Turing Patterns in a Reaction-Diffusion System

    International Nuclear Information System (INIS)

    Wu Yanning; Wang Pingjian; Hou Chunju; Liu Changsong; Zhu Zhengang

    2006-01-01

    We have further investigated Turing patterns in a reaction-diffusion system by theoretical analysis and numerical simulations. Simple Turing patterns and complex superlattice structures are observed. We find that the shape and type of Turing patterns depend on dynamical parameters and external periodic forcing, and is independent of effective diffusivity rate σ in the Lengyel-Epstein model. Our numerical results provide additional insight into understanding the mechanism of development of Turing patterns and predicting new pattern formations.

  11. From baking a cake to solving the diffusion equation

    Science.gov (United States)

    Olszewski, Edward A.

    2006-06-01

    We explain how modifying a cake recipe by changing either the dimensions of the cake or the amount of cake batter alters the baking time. We restrict our consideration to the génoise and obtain a semiempirical relation for the baking time as a function of oven temperature, initial temperature of the cake batter, and dimensions of the unbaked cake. The relation, which is based on the diffusion equation, has three parameters whose values are estimated from data obtained by baking cakes in cylindrical pans of various diameters. The relation takes into account the evaporation of moisture at the top surface of the cake, which is the dominant factor affecting the baking time of a cake.

  12. Local multiplicative Schwarz algorithms for convection-diffusion equations

    Science.gov (United States)

    Cai, Xiao-Chuan; Sarkis, Marcus

    1995-01-01

    We develop a new class of overlapping Schwarz type algorithms for solving scalar convection-diffusion equations discretized by finite element or finite difference methods. The preconditioners consist of two components, namely, the usual two-level additive Schwarz preconditioner and the sum of some quadratic terms constructed by using products of ordered neighboring subdomain preconditioners. The ordering of the subdomain preconditioners is determined by considering the direction of the flow. We prove that the algorithms are optimal in the sense that the convergence rates are independent of the mesh size, as well as the number of subdomains. We show by numerical examples that the new algorithms are less sensitive to the direction of the flow than either the classical multiplicative Schwarz algorithms, and converge faster than the additive Schwarz algorithms. Thus, the new algorithms are more suitable for fluid flow applications than the classical additive or multiplicative Schwarz algorithms.

  13. Image recovery using diffusion equation embedded neural network

    International Nuclear Information System (INIS)

    Torkamani-Azar, F.

    2001-01-01

    Artificial neural networks with their inherent parallelism have been shown to perform well in many processing applications. In this paper, a new self-organizing approach for the recovery of gray level images degraded by additive noise based on embedding the diffusion equation in a neural network (without using a priori knowledge about the image point spread function, noise or original image) is described which enhances and restores gray levels of degraded images and is for application in low-level processing. Two learning features have been proposed which would be effective in the practical implementation of such a network. The recovery procedure needs some parameter estimation such as different error goals. While the required computation is not excessive, the procedure dose not require too many iterations and convergence is very fast. In addition, through the simulation the new network showed that it has superior ability to give a better quality result with a minimum of the sum of the squared error

  14. Liquid Film Diffusion on Reaction Rate in Submerged Biofilters

    DEFF Research Database (Denmark)

    Christiansen, Pia; Hollesen, Line; Harremoës, Poul

    1995-01-01

    Experiments were carried out in order to investigate the influence of liquid film diffusion on reaction rate in a submerged biofilter with denitrification and in order to compare with a theoretical study of the mass transfer coefficient. The experiments were carried out with varied flow, identified...... by the empty bed velocity of inflow and recirculation, respectively 1.3, 2.8, 5.6 and 10.9 m/h. The filter material consisted of 3 mm biostyren spheres. The results indicate that the influence of liquid film diffusion on reaction rate can be ignored....

  15. Chaotic advection, diffusion, and reactions in open flows

    International Nuclear Information System (INIS)

    Tel, Tamas; Karolyi, Gyoergy; Pentek, Aron; Scheuring, Istvan; Toroczkai, Zoltan; Grebogi, Celso; Kadtke, James

    2000-01-01

    We review and generalize recent results on advection of particles in open time-periodic hydrodynamical flows. First, the problem of passive advection is considered, and its fractal and chaotic nature is pointed out. Next, we study the effect of weak molecular diffusion or randomness of the flow. Finally, we investigate the influence of passive advection on chemical or biological activity superimposed on open flows. The nondiffusive approach is shown to carry some features of a weak diffusion, due to the finiteness of the reaction range or reaction velocity. (c) 2000 American Institute of Physics

  16. Diffusion-controlled reaction. V. Effect of concentration-dependent diffusion coefficient on reaction rate in graft polymerization

    International Nuclear Information System (INIS)

    Imre, K.; Odian, G.

    1979-01-01

    The effect of diffusion on radiation-initiated graft polymerization has been studied with emphasis on the single- and two-penetrant cases. When the physical properties of the penetrants are similar, the two-penetrant problems can be reduced to the single-penetrant problem by redefining the characteristic parameters of the system. The diffusion-free graft polymerization rate is assumed to be proportional to the upsilon power of the monomer concentration respectively, and, in which the proportionality constant a = k/sub p/R/sub i//sup w//k/sub t//sup z/, where k/sub p/ and k/sub t/ are the propagation and termination rate constants, respectively, and R/sub i/ is the initiation rate. The values of upsilon, w, and z depend on the particular reaction system. The results of earlier work were generalized by allowing a non-Fickian diffusion rate which predicts an essentially exponential dependence on the monomer concentration of the diffusion coefficient, D = D 0 [exp(deltaC/M)], where M is the saturation concentration. A reaction system is characterized by the three dimensionless parameters, upsilon, delta, and A = (L/2)[aM/sup (upsilon--1)//D 0 ]/sup 1/2/, where L is the polymer film thickness. Graft polymerization tends to become diffusion controlled as A increases. Larger values of delta and ν cause a reaction system to behave closer to the diffusion-free regime. Transition from diffusion-free to diffusion-controlled reaction involves changes in the dependence of the reaction rate on film thickness, initiation rate, and monomer concentration. Although the diffusion-free rate is w order in initiation rate, upsilon order in monomer, and independent of film thickness, the diffusion-controlled rate is w/2 order in initiator rate and inverse first-order in film thickness. Dependence of the diffusion-controlled rate on monomer is dependent in a complex manner on the diffusional characteristics of the reaction system. 11 figures, 4 tables

  17. Superstatistical generalised Langevin equation: non-Gaussian viscoelastic anomalous diffusion

    Science.gov (United States)

    Ślęzak, Jakub; Metzler, Ralf; Magdziarz, Marcin

    2018-02-01

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

  18. Diffusion-equation representations of landform evolution in the simplest circumstances: Appendix C

    Science.gov (United States)

    Hanks, Thomas C.

    2009-01-01

    The diffusion equation is one of the three great partial differential equations of classical physics. It describes the flow or diffusion of heat in the presence of temperature gradients, fluid flow in porous media in the presence of pressure gradients, and the diffusion of molecules in the presence of chemical gradients. [The other two equations are the wave equation, which describes the propagation of electromagnetic waves (including light), acoustic (sound) waves, and elastic (seismic) waves radiated from earthquakes; and LaPlace’s equation, which describes the behavior of electric, gravitational, and fluid potentials, all part of potential field theory. The diffusion equation reduces to LaPlace’s equation at steady state, when the field of interest does not depend on t. Poisson’s equation is LaPlace’s equation with a source term.

  19. Stochastic interpretation of the advection-diffusion equation and its relevance to bed load transport

    Science.gov (United States)

    Ancey, C.; Bohorquez, P.; Heyman, J.

    2015-12-01

    The advection-diffusion equation is one of the most widespread equations in physics. It arises quite often in the context of sediment transport, e.g., for describing time and space variations in the particle activity (the solid volume of particles in motion per unit streambed area). Phenomenological laws are usually sufficient to derive this equation and interpret its terms. Stochastic models can also be used to derive it, with the significant advantage that they provide information on the statistical properties of particle activity. These models are quite useful when sediment transport exhibits large fluctuations (typically at low transport rates), making the measurement of mean values difficult. Among these stochastic models, the most common approach consists of random walk models. For instance, they have been used to model the random displacement of tracers in rivers. Here we explore an alternative approach, which involves monitoring the evolution of the number of particles moving within an array of cells of finite length. Birth-death Markov processes are well suited to this objective. While the topic has been explored in detail for diffusion-reaction systems, the treatment of advection has received no attention. We therefore look into the possibility of deriving the advection-diffusion equation (with a source term) within the framework of birth-death Markov processes. We show that in the continuum limit (when the cell size becomes vanishingly small), we can derive an advection-diffusion equation for particle activity. Yet while this derivation is formally valid in the continuum limit, it runs into difficulty in practical applications involving cells or meshes of finite length. Indeed, within our stochastic framework, particle advection produces nonlocal effects, which are more or less significant depending on the cell size and particle velocity. Albeit nonlocal, these effects look like (local) diffusion and add to the intrinsic particle diffusion (dispersal due

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

    Science.gov (United States)

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

    2014-04-11

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

  1. Uniqueness and reconstruction of an unknown semilinear term in a time-fractional reaction–diffusion equation

    KAUST Repository

    Luchko, Yuri

    2013-05-30

    In this paper, we consider a reaction-diffusion problem with an unknown nonlinear source function that has to be determined from overposed data. The underlying model is in the form of a time-fractional reaction-diffusion equation and the work generalizes some known results for the inverse problems posed for PDEs of parabolic type. For the inverse problem under consideration, a uniqueness result is proved and a numerical algorithm with some theoretical qualification is presented in the one-dimensional case. The key both to the uniqueness result and to the numerical algorithm relies on the maximum principle which has recently been shown to hold for the fractional diffusion equation. In order to show the effectiveness of the proposed method, results of numerical simulations are presented. © 2013 IOP Publishing Ltd.

  2. Rigorous Multicomponent Reactive Separations Modelling: Complete Consideration of Reaction-Diffusion Phenomena

    International Nuclear Information System (INIS)

    Ahmadi, A.; Meyer, M.; Rouzineau, D.; Prevost, M.; Alix, P.; Laloue, N.

    2010-01-01

    This paper gives the first step of the development of a rigorous multicomponent reactive separation model. Such a model is highly essential to further the optimization of acid gases removal plants (CO 2 capture, gas treating, etc.) in terms of size and energy consumption, since chemical solvents are conventionally used. Firstly, two main modelling approaches are presented: the equilibrium-based and the rate-based approaches. Secondly, an extended rate-based model with rigorous modelling methodology for diffusion-reaction phenomena is proposed. The film theory and the generalized Maxwell-Stefan equations are used in order to characterize multicomponent interactions. The complete chain of chemical reactions is taken into account. The reactions can be kinetically controlled or at chemical equilibrium, and they are considered for both liquid film and liquid bulk. Thirdly, the method of numerical resolution is described. Coupling the generalized Maxwell-Stefan equations with chemical equilibrium equations leads to a highly non-linear Differential-Algebraic Equations system known as DAE index 3. The set of equations is discretized with finite-differences as its integration by Gear method is complex. The resulting algebraic system is resolved by the Newton- Raphson method. Finally, the present model and the associated methods of numerical resolution are validated for the example of esterification of methanol. This archetype non-electrolytic system permits an interesting analysis of reaction impact on mass transfer, especially near the phase interface. The numerical resolution of the model by Newton-Raphson method gives good results in terms of calculation time and convergence. The simulations show that the impact of reactions at chemical equilibrium and that of kinetically controlled reactions with high kinetics on mass transfer is relatively similar. Moreover, the Fick's law is less adapted for multicomponent mixtures where some abnormalities such as counter-diffusion

  3. Modelling biochemical reaction systems by stochastic differential equations with reflection.

    Science.gov (United States)

    Niu, Yuanling; Burrage, Kevin; Chen, Luonan

    2016-05-07

    In this paper, we gave a new framework for modelling and simulating biochemical reaction systems by stochastic differential equations with reflection not in a heuristic way but in a mathematical way. The model is computationally efficient compared with the discrete-state Markov chain approach, and it ensures that both analytic and numerical solutions remain in a biologically plausible region. Specifically, our model mathematically ensures that species numbers lie in the domain D, which is a physical constraint for biochemical reactions, in contrast to the previous models. The domain D is actually obtained according to the structure of the corresponding chemical Langevin equations, i.e., the boundary is inherent in the biochemical reaction system. A variant of projection method was employed to solve the reflected stochastic differential equation model, and it includes three simple steps, i.e., Euler-Maruyama method was applied to the equations first, and then check whether or not the point lies within the domain D, and if not perform an orthogonal projection. It is found that the projection onto the closure D¯ is the solution to a convex quadratic programming problem. Thus, existing methods for the convex quadratic programming problem can be employed for the orthogonal projection map. Numerical tests on several important problems in biological systems confirmed the efficiency and accuracy of this approach. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. Regularity and mass conservation for discrete coagulation–fragmentation equations with diffusion

    KAUST Repository

    Cañizo, J.A.

    2010-03-01

    We present a new a priori estimate for discrete coagulation-fragmentation systems with size-dependent diffusion within a bounded, regular domain confined by homogeneous Neumann boundary conditions. Following from a duality argument, this a priori estimate provides a global L2 bound on the mass density and was previously used, for instance, in the context of reaction-diffusion equations. In this paper we demonstrate two lines of applications for such an estimate: On the one hand, it enables to simplify parts of the known existence theory and allows to show existence of solutions for generalised models involving collision-induced, quadratic fragmentation terms for which the previous existence theory seems difficult to apply. On the other hand and most prominently, it proves mass conservation (and thus the absence of gelation) for almost all the coagulation coefficients for which mass conservation is known to hold true in the space homogeneous case. © 2009 Elsevier Masson SAS. All rights reserved.

  5. A multigroup flux-limited asymptotic diffusion Fokker-Planck equation

    International Nuclear Information System (INIS)

    Liu Chengan

    1987-01-01

    A more perfrect flux-limited method is applied to combine with asymptotic diffusion theory of the radiation transpore, and the high peaked component in the scattering angle is treated with Fokker-Planck methods, thus the flux-limited asymptotic diffusion Fokker-Planck equation has been founded. Since the equation is of diffusion form, it retains the simplity and the convenience of the classical diffusion theory, and improves precision in describing radiation transport problems

  6. Reaction Diffusion and Chemotaxis for Decentralized Gathering on FPGAs

    Directory of Open Access Journals (Sweden)

    Bernard Girau

    2009-01-01

    and rapid simulations of the complex dynamics of this reaction-diffusion model. Then we describe the FPGA implementation of the environment together with the agents, to study the major challenges that must be solved when designing a fast embedded implementation of the decentralized gathering model. We analyze the results according to the different goals of these hardware implementations.

  7. Multi-scale simulation of reaction-diffusion systems

    NARCIS (Netherlands)

    Vijaykumar, A.

    2017-01-01

    In many reaction-diffusion processes, ranging from biochemical networks, catalysis, to complex self-assembly, the spatial distribution of the reactants and the stochastic character of their interactions are crucial for the macroscopic behavior. The recently developed mesoscopic Green’s Function

  8. Flow-Injection Responses of Diffusion Processes and Chemical Reactions

    DEFF Research Database (Denmark)

    Andersen, Jens Enevold Thaulov

    2000-01-01

    tool of automated analytical chemistry. The need for an even lower consumption of chemicals and for computer analysis has motivated a study of the FIA peak itself, that is, a theoretical model was developed, that provides detailed knowledge of the FIA profile. It was shown that the flow in a FIA...... manifold may be characterised by a diffusion coefficient that depends on flow rate, denoted as the kinematic diffusion coefficient. The description was applied to systems involving species of chromium, both in the case of simple diffusion and in the case of chemical reactions. It is suggested that it may...... be used in the resolution of FIA profiles to obtain information about the content of interference’s, in the study of chemical reaction kinetics and to measure absolute concentrations within the FIA-detector cell....

  9. Internal Diffusion-Controlled Enzyme Reaction: The Acetylcholinesterase Kinetics.

    Science.gov (United States)

    Lee, Sangyun; Kim, Ji-Hyun; Lee, Sangyoub

    2012-02-14

    Acetylcholinesterase is an enzyme with a very high turnover rate; it quenches the neurotransmitter, acetylcholine, at the synapse. We have investigated the kinetics of the enzyme reaction by calculating the diffusion rate of the substrate molecule along an active site channel inside the enzyme from atomic-level molecular dynamics simulations. In contrast to the previous works, we have found that the internal substrate diffusion is the determinant of the acetylcholinesterase kinetics in the low substrate concentration limit. Our estimate of the overall bimolecular reaction rate constant for the enzyme is in good agreement with the experimental data. In addition, the present calculation provides a reasonable explanation for the effects of the ionic strength of solution and the mutation of surface residues of the enzyme. The study suggests that internal diffusion of the substrate could be a key factor in understanding the kinetics of enzymes of similar characteristics.

  10. Ionic Diffusion and Kinetic Homogeneous Chemical Reactions in the Pore Solution of Porous Materials with Moisture Transport

    DEFF Research Database (Denmark)

    Johannesson, Björn

    2009-01-01

    Results from a systematic continuum mixture theory will be used to establish the governing equations for ionic diffusion and chemical reactions in the pore solution of a porous material subjected to moisture transport. The theory in use is the hybrid mixture theory (HMT), which in its general form......’s law of diffusion and the generalized Darcy’s law will be used together with derived constitutive equations for chemical reactions within phases. The mass balance equations for the constituents and the phases together with the constitutive equations gives the coupled set of non-linear differential...... general description of chemical reactions among constituents is described. The Petrov – Galerkin approach are used in favour of the standard Galerkin weighting in order to improve the solution when the convective part of the problem is dominant. A modified type of Newton – Raphson scheme is derived...

  11. Hybrid diffusion-P3 equation in N-layered turbid media: steady-state domain.

    Science.gov (United States)

    Shi, Zhenzhi; Zhao, Huijuan; Xu, Kexin

    2011-10-01

    This paper discusses light propagation in N-layered turbid media. The hybrid diffusion-P3 equation is solved for an N-layered finite or infinite turbid medium in the steady-state domain for one point source using the extrapolated boundary condition. The Fourier transform formalism is applied to derive the analytical solutions of the fluence rate in Fourier space. Two inverse Fourier transform methods are developed to calculate the fluence rate in real space. In addition, the solutions of the hybrid diffusion-P3 equation are compared to the solutions of the diffusion equation and the Monte Carlo simulation. For the case of small absorption coefficients, the solutions of the N-layered diffusion equation and hybrid diffusion-P3 equation are almost equivalent and are in agreement with the Monte Carlo simulation. For the case of large absorption coefficients, the model of the hybrid diffusion-P3 equation is more precise than that of the diffusion equation. In conclusion, the model of the hybrid diffusion-P3 equation can replace the diffusion equation for modeling light propagation in the N-layered turbid media for a wide range of absorption coefficients.

  12. Global asymptotic stability of bistable traveling fronts in reaction-diffusion systems and their applications to biological models

    International Nuclear Information System (INIS)

    Wu Shiliang; Li Wantong

    2009-01-01

    This paper deals with the global asymptotic stability and uniqueness (up to translation) of bistable traveling fronts in a class of reaction-diffusion systems. The known results do not apply in solving these problems because the reaction terms do not satisfy the required monotone condition. To overcome the difficulty, a weak monotone condition is proposed for the reaction terms, which is called interval monotone condition. Under such a weak monotone condition, the existence and comparison theorem of solutions is first established for reaction-diffusion systems on R by appealing to the theory of abstract differential equations. The global asymptotic stability and uniqueness (up to translation) of bistable traveling fronts are then proved by the elementary super- and sub-solution comparison and squeezing methods for nonlinear evolution equations. Finally, these abstract results are applied to a two species competition-diffusion model and a system modeling man-environment-man epidemics.

  13. Resonant elastic scattering, inelastic scattering and astrophysical reactions; Diffusion elastique resonante, diffusion inelastique et reactions astrophysiques

    Energy Technology Data Exchange (ETDEWEB)

    De Oliveira Santos, F. [Grand Accelerateur National d' Ions Lourds, UMR 6415, 14 - Caen (France)

    2007-07-01

    Nuclear reactions can occur at low kinetic energy. Low-energy reactions are characterized by a strong dependence on the structure of the compound nucleus. It turns out that it is possible to study the nuclear structure by measuring these reactions. In this course, three types of reactions are treated: Resonant Elastic Scattering (such as N{sup 14}(p,p)N{sup 14}), Inelastic Scattering (such as N{sup 14}(p,p')N{sup 14*}) and Astrophysical reactions (such as N{sup 14}(p,{gamma})O{sup 15}). (author)

  14. Boundary conditions for the diffusion equation in radiative transfer

    International Nuclear Information System (INIS)

    Haskell, R.C.; Svaasand, L.O.; Tsay, T.; Feng, T.; McAdams, M.S.; Tromberg, B.J.

    1994-01-01

    Using the method of images, we examine the three boundary conditions commonly applied to the surface of a semi-infinite turbid medium. We find that the image-charge configurations of the partial-current and extrapolated-boundary conditions have the same dipole and quadrupole moments and that the two corresponding solutions to the diffusion equation are approximately equal. In the application of diffusion theory to frequency-domain photon-migration (FDPM) data, these two approaches yield values for the scattering and absorption coefficients that are equal to within 3%. Moreover, the two boundary conditions can be combined to yield a remarkably simple, accurate, and computationally fast method for extracting values for optical parameters from FDPM data. FDPM data were taken both at the surface and deep inside tissue phantoms, and the difference in data between the two geometries is striking. If one analyzes the surface data without accounting for the boundary, values deduced for the optical coefficients are in error by 50% or more. As expected, when aluminum foil was placed on the surface of a tissue phantom, phase and modulation data were closer to the results for an infinite-medium geometry. Raising the reflectivity of a tissue surface can, in principle, eliminate the effect of the boundary. However, we find that phase and modulation data are highly sensitive to the reflectivity in the range of 80--100%, and a minimum value of 98% is needed to mimic an infinite-medium geometry reliably. We conclude that noninvasive measurements of optically thick tissue require a rigorous treatment of the tissue boundary, and we suggest a unified partial-current--extrapolated boundary approach

  15. Parametric spatiotemporal oscillation in reaction-diffusion systems.

    Science.gov (United States)

    Ghosh, Shyamolina; Ray, Deb Shankar

    2016-03-01

    We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

  16. Oscillatory pulses and wave trains in a bistable reaction-diffusion system with cross diffusion.

    Science.gov (United States)

    Zemskov, Evgeny P; Tsyganov, Mikhail A; Horsthemke, Werner

    2017-01-01

    We study waves with exponentially decaying oscillatory tails in a reaction-diffusion system with linear cross diffusion. To be specific, we consider a piecewise linear approximation of the FitzHugh-Nagumo model, also known as the Bonhoeffer-van der Pol model. We focus on two types of traveling waves, namely solitary pulses that correspond to a homoclinic solution, and sequences of pulses or wave trains, i.e., a periodic solution. The effect of cross diffusion on wave profiles and speed of propagation is analyzed. We find the intriguing result that both pulses and wave trains occur in the bistable cross-diffusive FitzHugh-Nagumo system, whereas only fronts exist in the standard bistable system without cross diffusion.

  17. A drift-diffusion-reaction model for excitonic photovoltaic bilayers: Photovoltaic bilayers: Asymptotic analysis and a 2D hdg finite element scheme

    KAUST Repository

    Brinkman, Daniel; Fellner, Klemens J.; Markowich, Peter A.; Wolfram, Marie Therese

    2013-01-01

    We present and discuss a mathematical model for the operation of bilayer organic photovoltaic devices. Our model couples drift-diffusion-recombination equations for the charge carriers (specifically, electrons and holes) with a reaction

  18. Parallel computing for homogeneous diffusion and transport equations in neutronics

    International Nuclear Information System (INIS)

    Pinchedez, K.

    1999-06-01

    Parallel computing meets the ever-increasing requirements for neutronic computer code speed and accuracy. In this work, two different approaches have been considered. We first parallelized the sequential algorithm used by the neutronics code CRONOS developed at the French Atomic Energy Commission. The algorithm computes the dominant eigenvalue associated with PN simplified transport equations by a mixed finite element method. Several parallel algorithms have been developed on distributed memory machines. The performances of the parallel algorithms have been studied experimentally by implementation on a T3D Cray and theoretically by complexity models. A comparison of various parallel algorithms has confirmed the chosen implementations. We next applied a domain sub-division technique to the two-group diffusion Eigen problem. In the modal synthesis-based method, the global spectrum is determined from the partial spectra associated with sub-domains. Then the Eigen problem is expanded on a family composed, on the one hand, from eigenfunctions associated with the sub-domains and, on the other hand, from functions corresponding to the contribution from the interface between the sub-domains. For a 2-D homogeneous core, this modal method has been validated and its accuracy has been measured. (author)

  19. Signatures of a quantum diffusion limited hydrogen atom tunneling reaction.

    Science.gov (United States)

    Balabanoff, Morgan E; Ruzi, Mahmut; Anderson, David T

    2017-12-20

    We are studying the details of hydrogen atom (H atom) quantum diffusion in highly enriched parahydrogen (pH 2 ) quantum solids doped with chemical species in an effort to better understand H atom transport and reactivity under these conditions. In this work we present kinetic studies of the 193 nm photo-induced chemistry of methanol (CH 3 OH) isolated in solid pH 2 . Short-term irradiation of CH 3 OH at 1.8 K readily produces CH 2 O and CO which we detect using FTIR spectroscopy. The in situ photochemistry also produces CH 3 O and H atoms which we can infer from the post-photolysis reaction kinetics that display significant CH 2 OH growth. The CH 2 OH growth kinetics indicate at least three separate tunneling reactions contribute; (i) reactions of photoproduced CH 3 O with the pH 2 host, (ii) H atom reactions with the CH 2 O photofragment, and (iii) long-range migration of H atoms and reaction with CH 3 OH. We assign the rapid CH 2 OH growth to the following CH 3 O + H 2 → CH 3 OH + H → CH 2 OH + H 2 two-step sequential tunneling mechanism by conducting analogous kinetic measurements using deuterated methanol (CD 3 OD). By performing photolysis experiments at 1.8 and 4.3 K, we show the post-photolysis reaction kinetics change qualitatively over this small temperature range. We use this qualitative change in the reaction kinetics with temperature to identify reactions that are quantum diffusion limited. While these results are specific to the conditions that exist in pH 2 quantum solids, they have direct implications on the analogous low temperature H atom tunneling reactions that occur on metal surfaces and on interstellar grains.

  20. Diffusion phenomenon for linear dissipative wave equations in an exterior domain

    Science.gov (United States)

    Ikehata, Ryo

    Under the general condition of the initial data, we will derive the crucial estimates which imply the diffusion phenomenon for the dissipative linear wave equations in an exterior domain. In order to derive the diffusion phenomenon for dissipative wave equations, the time integral method which was developed by Ikehata and Matsuyama (Sci. Math. Japon. 55 (2002) 33) plays an effective role.

  1. Modeling Studies of Inhomogeneity Effects during Laser Flash Photolysis Experiments: A Reaction-Diffusion Approach.

    Science.gov (United States)

    Dóka, Éva; Lente, Gábor

    2017-04-13

    This work presents a rigorous mathematical study of the effect of unavoidable inhomogeneities in laser flash photolysis experiments. There are two different kinds of inhomegenities: the first arises from diffusion, whereas the second one has geometric origins (the shapes of the excitation and detection light beams). Both of these are taken into account in our reported model, which gives rise to a set of reaction-diffusion type partial differential equations. These equations are solved by a specially developed finite volume method. As an example, the aqueous reaction between the sulfate ion radical and iodide ion is used, for which sufficiently detailed experimental data are available from an earlier publication. The results showed that diffusion itself is in general too slow to influence the kinetic curves on the usual time scales of laser flash photolysis experiments. However, the use of the absorbances measured (e.g., to calculate the molar absorption coefficients of transient species) requires very detailed mathematical consideration and full knowledge of the geometrical shapes of the excitation laser beam and the separate detection light beam. It is also noted that the usual pseudo-first-order approach to evaluating the kinetic traces can be used successfully even if the usual large excess condition is not rigorously met in the reaction cell locally.

  2. Reaction-diffusion fronts with inhomogeneous initial conditions

    Energy Technology Data Exchange (ETDEWEB)

    Bena, I [Departement de Physique Theorique, Universite de Geneve, CH-1211 Geneva 4 (Switzerland); Droz, M [Departement de Physique Theorique, Universite de Geneve, CH-1211 Geneva 4 (Switzerland); Martens, K [Departement de Physique Theorique, Universite de Geneve, CH-1211 Geneva 4 (Switzerland); Racz, Z [Institute for Theoretical Physics, Eoetvoes University, 1117 Budapest (Hungary)

    2007-02-14

    Properties of reaction zones resulting from A+B {yields} C type reaction-diffusion processes are investigated by analytical and numerical methods. The reagents A and B are separated initially and, in addition, there is an initial macroscopic inhomogeneity in the distribution of the B species. For simple two-dimensional geometries, exact analytical results are presented for the time evolution of the geometric shape of the front. We also show using cellular automata simulations that the fluctuations can be neglected both in the shape and in the width of the front.

  3. Control of transversal instabilities in reaction-diffusion systems

    Science.gov (United States)

    Totz, Sonja; Löber, Jakob; Totz, Jan Frederik; Engel, Harald

    2018-05-01

    In two-dimensional reaction-diffusion systems, local curvature perturbations on traveling waves are typically damped out and vanish. However, if the inhibitor diffuses much faster than the activator, transversal instabilities can arise, leading from flat to folded, spatio-temporally modulated waves and to spreading spiral turbulence. Here, we propose a scheme to induce or inhibit these instabilities via a spatio-temporal feedback loop. In a piecewise-linear version of the FitzHugh–Nagumo model, transversal instabilities and spiral turbulence in the uncontrolled system are shown to be suppressed in the presence of control, thereby stabilizing plane wave propagation. Conversely, in numerical simulations with the modified Oregonator model for the photosensitive Belousov–Zhabotinsky reaction, which does not exhibit transversal instabilities on its own, we demonstrate the feasibility of inducing transversal instabilities and study the emerging wave patterns in a well-controlled manner.

  4. Reaction diffusion voronoi diagrams: from sensors data to computing

    Czech Academy of Sciences Publication Activity Database

    Vázquez-Otero, Alejandro (ed.); Faigl, J.; Dormido, R.; Duro, N.

    2015-01-01

    Roč. 15, č. 6 (2015), s. 12736-12764 ISSN 1424-8220 R&D Projects: GA MŠk ED1.1.00/02.0061 Grant - others:ELI Beamlines(XE) CZ.1.05/1.1.00/02.0061 Institutional support: RVO:68378271 Keywords : reaction diffusion * FitzHugh–Nagumo * path planning * navigation * exploration Subject RIV: BD - Theory of Information Impact factor: 2.033, year: 2015

  5. Rate kernel theory for pseudo-first-order kinetics of diffusion-influenced reactions and application to fluorescence quenching kinetics.

    Science.gov (United States)

    Yang, Mino

    2007-06-07

    Theoretical foundation of rate kernel equation approaches for diffusion-influenced chemical reactions is presented and applied to explain the kinetics of fluorescence quenching reactions. A many-body master equation is constructed by introducing stochastic terms, which characterize the rates of chemical reactions, into the many-body Smoluchowski equation. A Langevin-type of memory equation for the density fields of reactants evolving under the influence of time-independent perturbation is derived. This equation should be useful in predicting the time evolution of reactant concentrations approaching the steady state attained by the perturbation as well as the steady-state concentrations. The dynamics of fluctuation occurring in equilibrium state can be predicted by the memory equation by turning the perturbation off and consequently may be useful in obtaining the linear response to a time-dependent perturbation. It is found that unimolecular decay processes including the time-independent perturbation can be incorporated into bimolecular reaction kinetics as a Laplace transform variable. As a result, a theory for bimolecular reactions along with the unimolecular process turned off is sufficient to predict overall reaction kinetics including the effects of unimolecular reactions and perturbation. As the present formulation is applied to steady-state kinetics of fluorescence quenching reactions, the exact relation between fluorophore concentrations and the intensity of excitation light is derived.

  6. A Radiation Chemistry Code Based on the Greens Functions of the Diffusion Equation

    Science.gov (United States)

    Plante, Ianik; Wu, Honglu

    2014-01-01

    Ionizing radiation produces several radiolytic species such as.OH, e-aq, and H. when interacting with biological matter. Following their creation, radiolytic species diffuse and chemically react with biological molecules such as DNA. Despite years of research, many questions on the DNA damage by ionizing radiation remains, notably on the indirect effect, i.e. the damage resulting from the reactions of the radiolytic species with DNA. To simulate DNA damage by ionizing radiation, we are developing a step-by-step radiation chemistry code that is based on the Green's functions of the diffusion equation (GFDE), which is able to follow the trajectories of all particles and their reactions with time. In the recent years, simulations based on the GFDE have been used extensively in biochemistry, notably to simulate biochemical networks in time and space and are often used as the "gold standard" to validate diffusion-reaction theories. The exact GFDE for partially diffusion-controlled reactions is difficult to use because of its complex form. Therefore, the radial Green's function, which is much simpler, is often used. Hence, much effort has been devoted to the sampling of the radial Green's functions, for which we have developed a sampling algorithm This algorithm only yields the inter-particle distance vector length after a time step; the sampling of the deviation angle of the inter-particle vector is not taken into consideration. In this work, we show that the radial distribution is predicted by the exact radial Green's function. We also use a technique developed by Clifford et al. to generate the inter-particle vector deviation angles, knowing the inter-particle vector length before and after a time step. The results are compared with those predicted by the exact GFDE and by the analytical angular functions for free diffusion. This first step in the creation of the radiation chemistry code should help the understanding of the contribution of the indirect effect in the

  7. Numerical simulation of reaction-diffusion systems by modified cubic B-spline differential quadrature method

    International Nuclear Information System (INIS)

    Mittal, R.C.; Rohila, Rajni

    2016-01-01

    In this paper, we have applied modified cubic B-spline based differential quadrature method to get numerical solutions of one dimensional reaction-diffusion systems such as linear reaction-diffusion system, Brusselator system, Isothermal system and Gray-Scott system. The models represented by these systems have important applications in different areas of science and engineering. The most striking and interesting part of the work is the solution patterns obtained for Gray Scott model, reminiscent of which are often seen in nature. We have used cubic B-spline functions for space discretization to get a system of ordinary differential equations. This system of ODE’s is solved by highly stable SSP-RK43 method to get solution at the knots. The computed results are very accurate and shown to be better than those available in the literature. Method is easy and simple to apply and gives solutions with less computational efforts.

  8. Identification of the population density of a species model with nonlocal diffusion and nonlinear reaction

    Science.gov (United States)

    Tuan, Nguyen Huy; Van Au, Vo; Khoa, Vo Anh; Lesnic, Daniel

    2017-05-01

    The identification of the population density of a logistic equation backwards in time associated with nonlocal diffusion and nonlinear reaction, motivated by biology and ecology fields, is investigated. The diffusion depends on an integral average of the population density whilst the reaction term is a global or local Lipschitz function of the population density. After discussing the ill-posedness of the problem, we apply the quasi-reversibility method to construct stable approximation problems. It is shown that the regularized solutions stemming from such method not only depend continuously on the final data, but also strongly converge to the exact solution in L 2-norm. New error estimates together with stability results are obtained. Furthermore, numerical examples are provided to illustrate the theoretical results.

  9. Non-Archimedean reaction-ultradiffusion equations and complex hierarchic systems

    Science.gov (United States)

    Zúñiga-Galindo, W. A.

    2018-06-01

    We initiate the study of non-Archimedean reaction-ultradiffusion equations and their connections with models of complex hierarchic systems. From a mathematical perspective, the equations studied here are the p-adic counterpart of the integro-differential models for phase separation introduced by Bates and Chmaj. Our equations are also generalizations of the ultradiffusion equations on trees studied in the 1980s by Ogielski, Stein, Bachas, Huberman, among others, and also generalizations of the master equations of the Avetisov et al models, which describe certain complex hierarchic systems. From a physical perspective, our equations are gradient flows of non-Archimedean free energy functionals and their solutions describe the macroscopic density profile of a bistable material whose space of states has an ultrametric structure. Some of our results are p-adic analogs of some well-known results in the Archimedean setting, however, the mechanism of diffusion is completely different due to the fact that it occurs in an ultrametric space.

  10. Asymptotic stability of a coupled advection-diffusion-reaction system arising in bioreactor processes

    Directory of Open Access Journals (Sweden)

    Maria Crespo

    2017-08-01

    Full Text Available In this work, we present an asymptotic analysis of a coupled system of two advection-diffusion-reaction equations with Danckwerts boundary conditions, which models the interaction between a microbial population (e.g., bacteria, called biomass, and a diluted organic contaminant (e.g., nitrates, called substrate, in a continuous flow bioreactor. This system exhibits, under suitable conditions, two stable equilibrium states: one steady state in which the biomass becomes extinct and no reaction is produced, called washout, and another steady state, which corresponds to the partial elimination of the substrate. We use the linearization method to give sufficient conditions for the linear asymptotic stability of the two stable equilibrium configurations. Finally, we compare our asymptotic analysis with the usual asymptotic analysis associated to the continuous bioreactor when it is modeled with ordinary differential equations.

  11. Green functions and Langevin equations for nonlinear diffusion equations: A comment on ‘Markov processes, Hurst exponents, and nonlinear diffusion equations’ by Bassler et al.

    Science.gov (United States)

    Frank, T. D.

    2008-02-01

    We discuss two central claims made in the study by Bassler et al. [K.E. Bassler, G.H. Gunaratne, J.L. McCauley, Physica A 369 (2006) 343]. Bassler et al. claimed that Green functions and Langevin equations cannot be defined for nonlinear diffusion equations. In addition, they claimed that nonlinear diffusion equations are linear partial differential equations disguised as nonlinear ones. We review bottom-up and top-down approaches that have been used in the literature to derive Green functions for nonlinear diffusion equations and, in doing so, show that the first claim needs to be revised. We show that the second claim as well needs to be revised. To this end, we point out similarities and differences between non-autonomous linear Fokker-Planck equations and autonomous nonlinear Fokker-Planck equations. In this context, we raise the question whether Bassler et al.’s approach to financial markets is physically plausible because it necessitates the introduction of external traders and causes. Such external entities can easily be eliminated when taking self-organization principles and concepts of nonextensive thermostatistics into account and modeling financial processes by means of nonlinear Fokker-Planck equations.

  12. An analytical solution of the one-dimensional neutron diffusion kinetic equation in cartesian geometry

    International Nuclear Information System (INIS)

    Ceolin, Celina; Vilhena, Marco T.; Petersen, Claudio Z.

    2009-01-01

    In this work we report an analytical solution for the monoenergetic neutron diffusion kinetic equation in cartesian geometry. Bearing in mind that the equation for the delayed neutron precursor concentration is a first order linear differential equation in the time variable, to make possible the application of the GITT approach to the kinetic equation, we introduce a fictitious diffusion term multiplied by a positive small value ε. By this procedure, we are able to solve this set of equations. Indeed, applying the GITT technique to the modified diffusion kinetic equation, we come out with a matrix differential equation which has a well known analytical solution when ε goes to zero. We report numerical simulations as well study of numerical convergence of the results attained. (author)

  13. Periodic solutions in reaction–diffusion equations with time delay

    International Nuclear Information System (INIS)

    Li, Li

    2015-01-01

    Spatial diffusion and time delay are two main factors in biological and chemical systems. However, the combined effects of them on diffusion systems are not well studied. As a result, we investigate a nonlinear diffusion system with delay and obtain the existence of the periodic solutions using coincidence degree theory. Moreover, two numerical examples confirm our theoretical results. The obtained results can also be applied in other related fields

  14. Darboux transformations for (1+2)-dimensional Fokker-Planck equations with constant diffusion matrix

    International Nuclear Information System (INIS)

    Schulze-Halberg, Axel

    2012-01-01

    We construct a Darboux transformation for (1+2)-dimensional Fokker-Planck equations with constant diffusion matrix. Our transformation is based on the two-dimensional supersymmetry formalism for the Schrödinger equation. The transformed Fokker-Planck equation and its solutions are obtained in explicit form.

  15. Semi-analytical solutions of the Schnakenberg model of a reaction-diffusion cell with feedback

    Science.gov (United States)

    Al Noufaey, K. S.

    2018-06-01

    This paper considers the application of a semi-analytical method to the Schnakenberg model of a reaction-diffusion cell. The semi-analytical method is based on the Galerkin method which approximates the original governing partial differential equations as a system of ordinary differential equations. Steady-state curves, bifurcation diagrams and the region of parameter space in which Hopf bifurcations occur are presented for semi-analytical solutions and the numerical solution. The effect of feedback control, via altering various concentrations in the boundary reservoirs in response to concentrations in the cell centre, is examined. It is shown that increasing the magnitude of feedback leads to destabilization of the system, whereas decreasing this parameter to negative values of large magnitude stabilizes the system. The semi-analytical solutions agree well with numerical solutions of the governing equations.

  16. Kinetics of diffusion-controlled and ballistically-controlled reactions

    International Nuclear Information System (INIS)

    Redner, S.

    1995-01-01

    The kinetics of diffusion-controlled two-species annihilation, A+B → O and single-species ballistically-controlled annihilation, A+A → O are investigated. For two-species annihilation, we describe the basic mechanism that leads to the formation of a coarsening mosaic of A- and B-domains. The implications of this picture on the distribution of reactants is discussed. For ballistic annihilation, dimensional analysis shows that the concentration and rms velocity decay as c∼t -α and v∼t -β , respectively, with α+β = 1 in any spatial dimension. Analysis of the Boltzmann equation for the evolution of the velocity distribution yields accurate predictions for the kinetics. New phenomena associated with discrete initial velocity distributions and with mixed ballistic and diffusive reactant motion are also discussed. (author)

  17. Fast stochastic simulation of biochemical reaction systems by alternative formulations of the chemical Langevin equation

    KAUST Repository

    Mélykúti, Bence; Burrage, Kevin; Zygalakis, Konstantinos C.

    2010-01-01

    The Chemical Langevin Equation (CLE), which is a stochastic differential equation driven by a multidimensional Wiener process, acts as a bridge between the discrete stochastic simulation algorithm and the deterministic reaction rate equation when

  18. On the integrability of the generalized Fisher-type nonlinear diffusion equations

    International Nuclear Information System (INIS)

    Wang Dengshan; Zhang Zhifei

    2009-01-01

    In this paper, the geometric integrability and Lax integrability of the generalized Fisher-type nonlinear diffusion equations with modified diffusion in (1+1) and (2+1) dimensions are studied by the pseudo-spherical surface geometry method and prolongation technique. It is shown that the (1+1)-dimensional Fisher-type nonlinear diffusion equation is geometrically integrable in the sense of describing a pseudo-spherical surface of constant curvature -1 only for m = 2, and the generalized Fisher-type nonlinear diffusion equations in (1+1) and (2+1) dimensions are Lax integrable only for m = 2. This paper extends the results in Bindu et al 2001 (J. Phys. A: Math. Gen. 34 L689) and further provides the integrability information of (1+1)- and (2+1)-dimensional Fisher-type nonlinear diffusion equations for m = 2

  19. Variational methods applied to problems of diffusion and reaction

    CERN Document Server

    Strieder, William

    1973-01-01

    This monograph is an account of some problems involving diffusion or diffusion with simultaneous reaction that can be illuminated by the use of variational principles. It was written during a period that included sabbatical leaves of one of us (W. S. ) at the University of Minnesota and the other (R. A. ) at the University of Cambridge and we are grateful to the Petroleum Research Fund for helping to support the former and the Guggenheim Foundation for making possible the latter. We would also like to thank Stephen Prager for getting us together in the first place and for showing how interesting and useful these methods can be. We have also benefitted from correspondence with Dr. A. M. Arthurs of the University of York and from the counsel of Dr. B. D. Coleman the general editor of this series. Table of Contents Chapter 1. Introduction and Preliminaries . 1. 1. General Survey 1 1. 2. Phenomenological Descriptions of Diffusion and Reaction 2 1. 3. Correlation Functions for Random Suspensions 4 1. 4. Mean Free ...

  20. Equivalence groups of (2+1) dimensional diffusion equation

    OpenAIRE

    Özer, Saadet

    2017-01-01

    If a given set of differential equations contain somearbitrary functions, parameters, we have in fact a family of sets of equationsof the same structure. Almost all field equations of classical physichs havethis property, representing different materials with various paramaters.  Equivalence groups are defined as the groupof transformations which leave a given family of differential equationsinvariant. Therefore, equivalence group of family of differential equations isan important area within...

  1. A fractional reaction-diffusion description of supply and demand

    Science.gov (United States)

    Benzaquen, Michael; Bouchaud, Jean-Philippe

    2018-02-01

    We suggest that the broad distribution of time scales in financial markets could be a crucial ingredient to reproduce realistic price dynamics in stylised Agent-Based Models. We propose a fractional reaction-diffusion model for the dynamics of latent liquidity in financial markets, where agents are very heterogeneous in terms of their characteristic frequencies. Several features of our model are amenable to an exact analytical treatment. We find in particular that the impact is a concave function of the transacted volume (aka the "square-root impact law"), as in the normal diffusion limit. However, the impact kernel decays as t-β with β = 1/2 in the diffusive case, which is inconsistent with market efficiency. In the sub-diffusive case the decay exponent β takes any value in [0, 1/2], and can be tuned to match the empirical value β ≈ 1/4. Numerical simulations confirm our theoretical results. Several extensions of the model are suggested. Contribution to the Topical Issue "Continuous Time Random Walk Still Trendy: Fifty-year History, Current State and Outlook", edited by Ryszard Kutner and Jaume Masoliver.

  2. Solution of two energy-group neutron diffusion equation by triangular elements

    International Nuclear Information System (INIS)

    Correia Filho, A.

    1981-01-01

    The application of the triangular finite elements of first order in the solution of two energy-group neutron diffusion equation in steady-state conditions is aimed at. The EFTDN (triangular finite elements in neutrons diffusion) computer code in FORTRAN IV language is developed. The discrete formulation of the diffusion equation is obtained applying the Galerkin method. The power method is used to solve the eigenvalues' problem and the convergence is accelerated through the use of Chebshev polynomials. For the equation systems solution the Gauss method is applied. The results of the analysis of two test-problems are presented. (Author) [pt

  3. Reaction-diffusion controlled growth of complex structures

    Science.gov (United States)

    Noorduin, Willem; Mahadevan, L.; Aizenberg, Joanna

    2013-03-01

    Understanding how the emergence of complex forms and shapes in biominerals came about is both of fundamental and practical interest. Although biomineralization processes and organization strategies to give higher order architectures have been studied extensively, synthetic approaches to mimic these self-assembled structures are highly complex and have been difficult to emulate, let alone replicate. The emergence of solution patterns has been found in reaction-diffusion systems such as Turing patterns and the BZ reaction. Intrigued by this spontaneous formation of complexity we explored if similar processes can lead to patterns in the solid state. We here identify a reaction-diffusion system in which the shape of the solidified products is a direct readout of the environmental conditions. Based on insights in the underlying mechanism, we developed a toolbox of engineering strategies to deterministically sculpt patterns and shapes, and combine different morphologies to create a landscape of hierarchical multi scale-complex tectonic architectures with unprecedented levels of complexity. These findings may hold profound implications for understanding, mimicking and ultimately expanding upon nature's morphogenesis strategies, allowing the synthesis of advanced highly complex microscale materials and devices. WLN acknowledges the Netherlands Organization for Scientific Research for financial support

  4. Pattern dynamics of the reaction-diffusion immune system.

    Science.gov (United States)

    Zheng, Qianqian; Shen, Jianwei; Wang, Zhijie

    2018-01-01

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

  5. Instability induced by cross-diffusion in reaction-diffusion systems

    DEFF Research Database (Denmark)

    Tian, Canrong; Lin, Zhigui; Pedersen, Michael

    2010-01-01

    In this paper the instability of the uniform equilibrium of a general strongly coupled reaction–diffusion is discussed. In unbounded domain and bounded domain the sufficient conditions for the instability are obtained respectively. The conclusion is applied to the ecosystem, it is shown that cros...... can induce the instability of an equilibrium which is stable for the kinetic system and for the self-diffusion–reaction system.......In this paper the instability of the uniform equilibrium of a general strongly coupled reaction–diffusion is discussed. In unbounded domain and bounded domain the sufficient conditions for the instability are obtained respectively. The conclusion is applied to the ecosystem, it is shown that cross-diffusion...

  6. General PFG signal attenuation expressions for anisotropic anomalous diffusion by modified-Bloch equations

    Science.gov (United States)

    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.

  7. Diffusion equation and spin drag in spin-polarized transport

    DEFF Research Database (Denmark)

    Flensberg, Karsten; Jensen, Thomas Stibius; Mortensen, Asger

    2001-01-01

    We study the role of electron-electron interactions for spin-polarized transport using the Boltzmann equation, and derive a set of coupled transport equations. For spin-polarized transport the electron-electron interactions are important, because they tend to equilibrate the momentum of the two-s...

  8. Square Turing patterns in reaction-diffusion systems with coupled layers

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jing [State Key Laboratory for Mesoscopic Physics and School of Physics, Peking University, Beijing 100871 (China); Wang, Hongli, E-mail: hlwang@pku.edu.cn, E-mail: qi@pku.edu.cn [State Key Laboratory for Mesoscopic Physics and School of Physics, Peking University, Beijing 100871 (China); Center for Quantitative Biology, Peking University, Beijing 100871 (China); Ouyang, Qi, E-mail: hlwang@pku.edu.cn, E-mail: qi@pku.edu.cn [State Key Laboratory for Mesoscopic Physics and School of Physics, Peking University, Beijing 100871 (China); Center for Quantitative Biology, Peking University, Beijing 100871 (China); The Peking-Tsinghua Center for Life Sciences, Beijing 100871 (China)

    2014-06-15

    Square Turing patterns are usually unstable in reaction-diffusion systems and are rarely observed in corresponding experiments and simulations. We report here an example of spontaneous formation of square Turing patterns with the Lengyel-Epstein model of two coupled layers. The squares are found to be a result of the resonance between two supercritical Turing modes with an appropriate ratio. Besides, the spatiotemporal resonance of Turing modes resembles to the mode-locking phenomenon. Analysis of the general amplitude equations for square patterns reveals that the fixed point corresponding to square Turing patterns is stationary when the parameters adopt appropriate values.

  9. Reaction diffusion and solid state chemical kinetics handbook

    CERN Document Server

    Dybkov, V I

    2010-01-01

    This monograph deals with a physico-chemical approach to the problem of the solid-state growth of chemical compound layers and reaction-diffusion in binary heterogeneous systems formed by two solids; as well as a solid with a liquid or a gas. It is explained why the number of compound layers growing at the interface between the original phases is usually much lower than the number of chemical compounds in the phase diagram of a given binary system. For example, of the eight intermetallic compounds which exist in the aluminium-zirconium binary system, only ZrAl3 was found to grow as a separate

  10. 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.

  11. Remodelling of cellular excitation (reaction) and intercellular coupling (diffusion) by chronic atrial fibrillation represented by a reaction-diffusion system

    Science.gov (United States)

    Zhang, Henggui; Garratt, Clifford J.; Kharche, Sanjay; Holden, Arun V.

    2009-06-01

    Human atrial tissue is an excitable system, in which myocytes are excitable elements, and cell-to-cell electrotonic interactions are via diffusive interactions of cell membrane potentials. We developed a family of excitable system models for human atrium at cellular, tissue and anatomical levels for both normal and chronic atrial fibrillation (AF) conditions. The effects of AF-induced remodelling of cell membrane ionic channels (reaction kinetics) and intercellular gap junctional coupling (diffusion) on atrial excitability, conduction of excitation waves and dynamics of re-entrant excitation waves are quantified. Both ionic channel and gap junctional coupling remodelling have rate dependent effects on atrial propagation. Membrane channel conductance remodelling allows the propagation of activity at higher rates than those sustained in normal tissue or in tissue with gap junctional remodelling alone. Membrane channel conductance remodelling is essential for the propagation of activity at rates higher than 300/min as seen in AF. Spatially heterogeneous gap junction coupling remodelling increased the risk of conduction block, an essential factor for the genesis of re-entry. In 2D and 3D anatomical models, the dynamical behaviours of re-entrant excitation waves are also altered by membrane channel modelling. This study provides insights to understand the pro-arrhythmic effects of AF-induced reaction and diffusion remodelling in atrial tissue.

  12. A nonlinear equation for ionic diffusion in a strong binary electrolyte

    Science.gov (United States)

    Ghosal, Sandip; Chen, Zhen

    2010-01-01

    The problem of the one-dimensional electro-diffusion of ions in a strong binary electrolyte is considered. The mathematical description, known as the Poisson–Nernst–Planck (PNP) system, consists of a diffusion equation for each species augmented by transport owing to a self-consistent electrostatic field determined by the Poisson equation. This description is also relevant to other important problems in physics, such as electron and hole diffusion across semiconductor junctions and the diffusion of ions in plasmas. If concentrations do not vary appreciably over distances of the order of the Debye length, the Poisson equation can be replaced by the condition of local charge neutrality first introduced by Planck. It can then be shown that both species diffuse at the same rate with a common diffusivity that is intermediate between that of the slow and fast species (ambipolar diffusion). Here, we derive a more general theory by exploiting the ratio of the Debye length to a characteristic length scale as a small asymptotic parameter. It is shown that the concentration of either species may be described by a nonlinear partial differential equation that provides a better approximation than the classical linear equation for ambipolar diffusion, but reduces to it in the appropriate limit. PMID:21818176

  13. Reaction-diffusion modeling of hydrogen in beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Wensing, Mirko; Matveev, Dmitry; Linsmeier, Christian [Forschungszentrum Juelich GmbH, Institut fuer Energie- und Klimaforschung - Plasmaphysik (Germany)

    2016-07-01

    Beryllium will be used as first-wall material for the future fusion reactor ITER as well as in the breeding blanket of DEMO. In both cases it is important to understand the mechanisms of hydrogen retention in beryllium. In earlier experiments with beryllium low-energy binding states of hydrogen were observed by thermal desorption spectroscopy (TDS) which are not yet well understood. Two candidates for these states are considered: beryllium-hydride phases within the bulk and surface effects. The retention of deuterium in beryllium is studied by a reaction rate approach using a coupled reaction diffusion system (CRDS)-model relying on ab initio data from density functional theory calculations (DFT). In this contribution we try to assess the influence of surface recombination.

  14. Non-probabilistic solutions of imprecisely defined fractional-order diffusion equations

    International Nuclear Information System (INIS)

    Chakraverty, S.; Tapaswini, Smita

    2014-01-01

    The fractional diffusion equation is one of the most important partial differential equations (PDEs) to model problems in mathematical physics. These PDEs are more practical when those are combined with uncertainties. Accordingly, this paper investigates the numerical solution of a non-probabilistic viz. fuzzy fractional-order diffusion equation subjected to various external forces. A fuzzy diffusion equation having fractional order 0 < α ≤ 1 with fuzzy initial condition is taken into consideration. Fuzziness appearing in the initial conditions is modelled through convex normalized triangular and Gaussian fuzzy numbers. A new computational technique is proposed based on double parametric form of fuzzy numbers to handle the fuzzy fractional diffusion equation. Using the single parametric form of fuzzy numbers, the original fuzzy diffusion equation is converted first into an interval-based fuzzy differential equation. Next, this equation is transformed into crisp form by using the proposed double parametric form of fuzzy numbers. Finally, the same is solved by Adomian decomposition method (ADM) symbolically to obtain the uncertain bounds of the solution. Computed results are depicted in terms of plots. Results obtained by the proposed method are compared with the existing results in special cases. (general)

  15. Numerical Solutions for Convection-Diffusion Equation through Non-Polynomial Spline

    Directory of Open Access Journals (Sweden)

    Ravi Kanth A.S.V.

    2016-01-01

    Full Text Available In this paper, numerical solutions for convection-diffusion equation via non-polynomial splines are studied. We purpose an implicit method based on non-polynomial spline functions for solving the convection-diffusion equation. The method is proven to be unconditionally stable by using Von Neumann technique. Numerical results are illustrated to demonstrate the efficiency and stability of the purposed method.

  16. Rethinking pattern formation in reaction-diffusion systems

    Science.gov (United States)

    Halatek, J.; Frey, E.

    2018-05-01

    The present theoretical framework for the analysis of pattern formation in complex systems is mostly limited to the vicinity of fixed (global) equilibria. Here we present a new theoretical approach to characterize dynamical states arbitrarily far from (global) equilibrium. We show that reaction-diffusion systems that are driven by locally mass-conserving interactions can be understood in terms of local equilibria of diffusively coupled compartments. Diffusive coupling generically induces lateral redistribution of the globally conserved quantities, and the variable local amounts of these quantities determine the local equilibria in each compartment. We find that, even far from global equilibrium, the system is well characterized by its moving local equilibria. We apply this framework to in vitro Min protein pattern formation, a paradigmatic model for biological pattern formation. Within our framework we can predict and explain transitions between chemical turbulence and order arbitrarily far from global equilibrium. Our results reveal conceptually new principles of self-organized pattern formation that may well govern diverse dynamical systems.

  17. Non probabilistic solution of uncertain neutron diffusion equation for imprecisely defined homogeneous bare reactor

    International Nuclear Information System (INIS)

    Chakraverty, S.; Nayak, S.

    2013-01-01

    Highlights: • Uncertain neutron diffusion equation of bare square homogeneous reactor is studied. • Proposed interval arithmetic is extended for fuzzy numbers. • The developed fuzzy arithmetic is used to handle uncertain parameters. • Governing differential equation is modelled by modified fuzzy finite element method. • Fuzzy critical eigenvalues and effective multiplication factors are investigated. - Abstract: The scattering of neutron collision inside a reactor depends upon geometry of the reactor, diffusion coefficient and absorption coefficient etc. In general these parameters are not crisp and hence we get uncertain neutron diffusion equation. In this paper we have investigated the above equation for a bare square homogeneous reactor. Here the uncertain governing differential equation is modelled by a modified fuzzy finite element method. Using modified fuzzy finite element method, obtained eigenvalues and effective multiplication factors are studied. Corresponding results are compared with the classical finite element method in special cases and various uncertain results have been discussed

  18. Solid state reaction studies in Fe3O4–TiO2 system by diffusion couple method

    International Nuclear Information System (INIS)

    Ren, Zhongshan; Hu, Xiaojun; Xue, Xiangxin; Chou, Kuochih

    2013-01-01

    Highlights: •The solid state reactions of Fe2O3-TiO2 system was studied by the diffusion couple method. •Different products were formed by diffusion, and the FeTiO3 was more stable phase. •The inter-diffusion coefficients and diffusion activation energy were estimated. -- Abstract: The solid state reactions in Fe 3 O 4 –TiO 2 system has been studied by diffusion couple experiments at 1323–1473 K, in which the oxygen partial pressure was controlled by the CO–CO 2 gas mixture. The XRD analysis was used to confirm the phases of the inter-compound, and the concentration profiles were determined by electron probe microanalysis (EPMA). Based on the concentration profile of Ti, the inter-diffusion coefficients in Fe 3 O 4 phase, which were both temperature and concentration of Ti ions dependent, were calculated by the modified Boltzmann–Matano method. According to the relation between the thickness of diffusion layer and temperature, the diffusion coefficient of the Fe 3 O 4 –TiO 2 system was obtained. According to the Arrhenius equation, the estimated diffusion activation energy was about 282.1 ± 18.8 kJ mol −1

  19. The arbitrary order mimetic finite difference method for a diffusion equation with a non-symmetric diffusion tensor

    Science.gov (United States)

    Gyrya, V.; Lipnikov, K.

    2017-11-01

    We present the arbitrary order mimetic finite difference (MFD) discretization for the diffusion equation with non-symmetric tensorial diffusion coefficient in a mixed formulation on general polygonal meshes. The diffusion tensor is assumed to be positive definite. The asymmetry of the diffusion tensor requires changes to the standard MFD construction. We present new approach for the construction that guarantees positive definiteness of the non-symmetric mass matrix in the space of discrete velocities. The numerically observed convergence rate for the scalar quantity matches the predicted one in the case of the lowest order mimetic scheme. For higher orders schemes, we observed super-convergence by one order for the scalar variable which is consistent with the previously published result for a symmetric diffusion tensor. The new scheme was also tested on a time-dependent problem modeling the Hall effect in the resistive magnetohydrodynamics.

  20. Critical behavior in reaction-diffusion systems exhibiting absorbing phase transition

    CERN Document Server

    Ódor, G

    2003-01-01

    Phase transitions of reaction-diffusion systems with site occupation restriction and with particle creation that requires n>1 parents and where explicit diffusion of single particles (A) exists are reviewed. Arguments based on mean-field approximation and simulations are given which support novel kind of non-equilibrium criticality. These are in contradiction with the implications of a suggested phenomenological, multiplicative noise Langevin equation approach and with some of recent numerical analysis. Simulation results for the one and two dimensional binary spreading 2A -> 4A, 4A -> 2A model display a new type of mean-field criticality characterized by alpha=1/3 and beta=1/2 critical exponents suggested in cond-mat/0210615.

  1. Asymptotic behavior of equilibrium states of reaction-diffusion systems with mass conservation

    Science.gov (United States)

    Chern, Jann-Long; Morita, Yoshihisa; Shieh, Tien-Tsan

    2018-01-01

    We deal with a stationary problem of a reaction-diffusion system with a conservation law under the Neumann boundary condition. It is shown that the stationary problem turns to be the Euler-Lagrange equation of an energy functional with a mass constraint. When the domain is the finite interval (0 , 1), we investigate the asymptotic profile of a strictly monotone minimizer of the energy as d, the ratio of the diffusion coefficient of the system, tends to zero. In view of a logarithmic function in the leading term of the potential, we get to a scaling parameter κ satisfying the relation ε : =√{ d } =√{ log ⁡ κ } /κ2. The main result shows that a sequence of minimizers converges to a Dirac mass multiplied by the total mass and that by a scaling with κ the asymptotic profile exhibits a parabola in the nonvanishing region. We also prove the existence of an unstable monotone solution when the mass is small.

  2. A mathematical and numerical analysis of the Maxwell-Stefan diffusion equations

    OpenAIRE

    Boudin , Laurent; Grec , Bérénice; Salvarani , Francesco

    2012-01-01

    International audience; We consider the Maxwell-Stefan model of diffusion in a multicomponent gaseous mixture. After focusing on the main differences with the Fickian diffusion model, we study the equations governing a three-component gas mixture. We provide a qualitative and quantitative mathematical analysis of the model. The main properties of the standard explicit numerical scheme are also analyzed. We eventually include some numerical simulations pointing out the uphill diffusion phenome...

  3. Stability and Hopf Bifurcation of a Reaction-Diffusion Neutral Neuron System with Time Delay

    Science.gov (United States)

    Dong, Tao; Xia, Linmao

    2017-12-01

    In this paper, a type of reaction-diffusion neutral neuron system with time delay under homogeneous Neumann boundary conditions is considered. By constructing a basis of phase space based on the eigenvectors of the corresponding Laplace operator, the characteristic equation of this system is obtained. Then, by selecting time delay and self-feedback strength as the bifurcating parameters respectively, the dynamic behaviors including local stability and Hopf bifurcation near the zero equilibrium point are investigated when the time delay and self-feedback strength vary. Furthermore, the direction of the Hopf bifurcation and the stability of bifurcating periodic solutions are obtained by using the normal form and the center manifold theorem for the corresponding partial differential equation. Finally, two simulation examples are given to verify the theory.

  4. A reaction-diffusion model of CO2 influx into an oocyte

    Science.gov (United States)

    Somersalo, Erkki; Occhipinti, Rossana; Boron, Walter F.; Calvetti, Daniela

    2012-01-01

    We have developed and implemented a novel mathematical model for simulating transients in surface pH (pHS) and intracellular pH (pHi) caused by the influx of carbon dioxide (CO2) into a Xenopus oocyte. These transients are important tools for studying gas channels. We assume that the oocyte is a sphere surrounded by a thin layer of unstirred fluid, the extracellular unconvected fluid (EUF), which is in turn surrounded by the well-stirred bulk extracellular fluid (BECF) that represents an infinite reservoir for all solutes. Here, we assume that the oocyte plasma membrane is permeable only to CO2. In both the EUF and intracellular space, solute concentrations can change because of diffusion and reactions. The reactions are the slow equilibration of the CO2 hydration-dehydration reactions and competing equilibria among carbonic acid (H2CO3)/bicarbonate ( HCO3-) and a multitude of non-CO2/HCO3- buffers. Mathematically, the model is described by a coupled system of reaction-diffusion equations that—assuming spherical radial symmetry—we solved using the method of lines with appropriate stiff solvers. In agreement with experimental data (Musa-Aziz et al, PNAS 2009, 106:5406–5411), the model predicts that exposing the cell to extracellular 1.5% CO2/10 mM HCO3- (pH 7.50) causes pHi to fall and pHS to rise rapidly to a peak and then decay. Moreover, the model provides insights into the competition between diffusion and reaction processes when we change the width of the EUF, membrane permeability to CO2, native extra-and intracellular carbonic anhydrase-like activities, the non-CO2/HCO3- (intrinsic) intracellular buffering power, or mobility of intrinsic intracellular buffers. PMID:22728674

  5. Application of finite Fourier transformation for the solution of the diffusion equation

    International Nuclear Information System (INIS)

    Kobayashi, Keisuke

    1991-01-01

    The application of the finite Fourier transformation to the solution of the neutron diffusion equation in one dimension, two dimensional x-y and triangular geometries is discussed. It can be shown that the equation obtained by the Nodal Green's function method in Cartesian coordinates can be derived as a special case of the finite Fourier transformation method. (author)

  6. Local Fractional Series Expansion Method for Solving Wave and Diffusion Equations on Cantor Sets

    Directory of Open Access Journals (Sweden)

    Ai-Min Yang

    2013-01-01

    Full Text Available We proposed a local fractional series expansion method to solve the wave and diffusion equations on Cantor sets. Some examples are given to illustrate the efficiency and accuracy of the proposed method to obtain analytical solutions to differential equations within the local fractional derivatives.

  7. Fifth-order amplitude equation for traveling waves in isothermal double diffusive convection

    International Nuclear Information System (INIS)

    Mendoza, S.; Becerril, R.

    2009-01-01

    Third-order amplitude equations for isothermal double diffusive convection are known to hold the tricritical condition all along the oscillatory branch, predicting that stable traveling waves exist Only at the onset of the instability. In order to properly describe stable traveling waves, we perform a fifth-order calculation and present explicitly the corresponding amplitude equation.

  8. A boundary integral equation for boundary element applications in multigroup neutron diffusion theory

    International Nuclear Information System (INIS)

    Ozgener, B.

    1998-01-01

    A boundary integral equation (BIE) is developed for the application of the boundary element method to the multigroup neutron diffusion equations. The developed BIE contains no explicit scattering term; the scattering effects are taken into account by redefining the unknowns. Boundary elements of the linear and constant variety are utilised for validation of the developed boundary integral formulation

  9. Solution of multigroup diffusion equations in cylindrical configuration by local polynomial approximation

    International Nuclear Information System (INIS)

    Jakab, J.

    1979-05-01

    Local approximations of neutron flux density by 2nd degree polynomials are used in calculating light water reactors. The calculations include spatial kinetics tasks for the models of two- and three-dimensional reactors in the Cartesian geometry. The resulting linear algebraic equations are considered to be formally identical to the results of the differential method of diffusion equation solution. (H.S.)

  10. On the Fractional Nagumo Equation with Nonlinear Diffusion and Convection

    Directory of Open Access Journals (Sweden)

    Abdon Atangana

    2014-01-01

    Full Text Available We presented the Nagumo equation using the concept of fractional calculus. With the help of two analytical techniques including the homotopy decomposition method (HDM and the new development of variational iteration method (NDVIM, we derived an approximate solution. Both methods use a basic idea of integral transform and are very simple to be used.

  11. 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

  12. Solution of the multigroup diffusion equation for two-dimensional triangular regions by finite Fourier transformation

    International Nuclear Information System (INIS)

    Takeshi, Y.; Keisuke, K.

    1983-01-01

    The multigroup neutron diffusion equation for two-dimensional triangular geometry is solved by the finite Fourier transformation method. Using the zero-th-order equation of the integral equation derived by this method, simple algebraic expressions for the flux are derived and solved by the alternating direction implicit method. In sample calculations for a benchmark problem of a fast breeder reactor, it is shown that the present method gives good results with fewer mesh points than the usual finite difference method

  13. Utilization of Weibull equation to obtain soil-water diffusivity in horizontal infiltration

    International Nuclear Information System (INIS)

    Guerrini, I.A.

    1982-06-01

    Water movement was studied in horizontal infiltration experiments using laboratory columns of air-dry and homogeneous soil to obtain a simple and suitable equation for soil-water diffusivity. Many water content profiles for each one of the ten soil columns utilized were obtained through gamma-ray attenuation technique using a 137 Cs source. During the measurement of a particular water content profile, the soil column was held in the same position in order to measure changes in time and so to reduce the errors in water content determination. The Weibull equation utilized was excellent in fitting water content profiles experimental data. The use of an analytical function for ν, the Boltzmann variable, according to Weibull model, allowed to obtain a simple equation for soil water diffusivity. Comparisons among the equation here obtained for diffusivity and others solutions found in literature were made, and the unsuitability of a simple exponential variation of diffusivity with water content for the full range of the latter was shown. The necessity of admitting the time dependency for diffusivity was confirmed and also the possibility fixing that dependency on a well known value extended to generalized soil water infiltration studies was found. Finally, it was shown that the soil water diffusivity function given by the equation here proposed can be obtained just by the analysis of the wetting front advance as a function of time. (Author) [pt

  14. Solution of two-dimensional neutron diffusion equation for triangular region by finite Fourier transformation

    International Nuclear Information System (INIS)

    Kobayashi, Keisuke; Ishibashi, Hideo

    1978-01-01

    A two-dimensional neutron diffusion equation for a triangular region is shown to be solved by the finite Fourier transformation. An application of the Fourier transformation to the diffusion equation for triangular region yields equations whose unknowns are the expansion coefficients of the neutron flux and current in Fourier series or Legendre polynomials expansions only at the region boundary. Some numerical calculations have revealed that the present technique gives accurate results. It is shown also that the solution using the expansion in Legendre polynomials converges with relatively few terms even if the solution in Fourier series exhibits the Gibbs' phenomenon. (auth.)

  15. A perturbational h4 exponential finite difference scheme for the convective diffusion equation

    International Nuclear Information System (INIS)

    Chen, G.Q.; Gao, Z.; Yang, Z.F.

    1993-01-01

    A perturbational h 4 compact exponential finite difference scheme with diagonally dominant coefficient matrix and upwind effect is developed for the convective diffusion equation. Perturbations of second order are exerted on the convective coefficients and source term of an h 2 exponential finite difference scheme proposed in this paper based on a transformation to eliminate the upwind effect of the convective diffusion equation. Four numerical examples including one- to three-dimensional model equations of fluid flow and a problem of natural convective heat transfer are given to illustrate the excellent behavior of the present exponential schemes. Besides, the h 4 accuracy of the perturbational scheme is verified using double precision arithmetic

  16. Pattern formation in three-dimensional reaction-diffusion systems

    Science.gov (United States)

    Callahan, T. K.; Knobloch, E.

    1999-08-01

    Existing group theoretic analysis of pattern formation in three dimensions [T.K. Callahan, E. Knobloch, Symmetry-breaking bifurcations on cubic lattices, Nonlinearity 10 (1997) 1179-1216] is used to make specific predictions about the formation of three-dimensional patterns in two models of the Turing instability, the Brusselator model and the Lengyel-Epstein model. Spatially periodic patterns having the periodicity of the simple cubic (SC), face-centered cubic (FCC) or body-centered cubic (BCC) lattices are considered. An efficient center manifold reduction is described and used to identify parameter regimes permitting stable lamellæ, SC, FCC, double-diamond, hexagonal prism, BCC and BCCI states. Both models possess a special wavenumber k* at which the normal form coefficients take on fixed model-independent ratios and both are described by identical bifurcation diagrams. This property is generic for two-species chemical reaction-diffusion models with a single activator and inhibitor.

  17. New diffusion-sythetic acceleration methods for the SN equations with corner balance spatial differencing

    International Nuclear Information System (INIS)

    Wareing, T.A.

    1993-01-01

    New methods are presented for diffusion-synthetic accelerating the S N equations in slab and x-y geometries with the corner balance spatial differencing scheme. With the standard diffusion-synthetic acceleration method, the discretized diffusion problem is derived from the discretized S N problem to insure stability through consistent differencing. The major difference between our new methods and standard diffusion-synthetic acceleration is that the discretized diffusion problem is derived from a discretization of the P 1 equations, independently of the discretized S N problem. We present theoretical and numerical results to show that these new methods are unconditionally efficient in slab and x-y geometries with rectangular spatial meshes and isotropic scattering. (orig.)

  18. A Nonlinear Diffusion Equation-Based Model for Ultrasound Speckle Noise Removal

    Science.gov (United States)

    Zhou, Zhenyu; Guo, Zhichang; Zhang, Dazhi; Wu, Boying

    2018-04-01

    Ultrasound images are contaminated by speckle noise, which brings difficulties in further image analysis and clinical diagnosis. In this paper, we address this problem in the view of nonlinear diffusion equation theories. We develop a nonlinear diffusion equation-based model by taking into account not only the gradient information of the image, but also the information of the gray levels of the image. By utilizing the region indicator as the variable exponent, we can adaptively control the diffusion type which alternates between the Perona-Malik diffusion and the Charbonnier diffusion according to the image gray levels. Furthermore, we analyze the proposed model with respect to the theoretical and numerical properties. Experiments show that the proposed method achieves much better speckle suppression and edge preservation when compared with the traditional despeckling methods, especially in the low gray level and low-contrast regions.

  19. Resolution of the time dependent P{sub n} equations by a Godunov type scheme having the diffusion limit; Resolution des equations P{sub n} instationnaires par un schema de type Godunov, ayant la limite diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Cargo, P.; Samba, G

    2007-07-01

    We consider the P{sub n} model to approximate the transport equation in one dimension of space. In a diffusive regime, the solution of this system is solution of a diffusion equation. We are looking for a numerical scheme having the diffusion limit property: in a diffusive regime, it gives the solution of the limiting diffusion equation on a mesh at the diffusion scale. The numerical scheme proposed is an extension of the Godunov type scheme proposed by L. Gosse to solve the P{sub 1} model without absorption term. Moreover, it has the well-balanced property: it preserves the steady solutions of the system. (authors)

  20. From State Dependent Diffusion to Constant Diffusion in Stochastic Differential Equations by the Lamperti Transform

    DEFF Research Database (Denmark)

    Møller, Jan Kloppenborg; Madsen, Henrik

    the Lamperti transform. This note gives an example driven introduction to the Lamperti transform. The general applicability of the Lamperti transform is limited to univariate diffusion processes, but for a restricted class of multivariate diffusion processes Lamperti type transformations are available...

  1. Probability and Cumulative Density Function Methods for the Stochastic Advection-Reaction Equation

    Energy Technology Data Exchange (ETDEWEB)

    Barajas-Solano, David A.; Tartakovsky, Alexandre M.

    2018-01-01

    We present a cumulative density function (CDF) method for the probabilistic analysis of $d$-dimensional advection-dominated reactive transport in heterogeneous media. We employ a probabilistic approach in which epistemic uncertainty on the spatial heterogeneity of Darcy-scale transport coefficients is modeled in terms of random fields with given correlation structures. Our proposed CDF method employs a modified Large-Eddy-Diffusivity (LED) approach to close and localize the nonlocal equations governing the one-point PDF and CDF of the concentration field, resulting in a $(d + 1)$ dimensional PDE. Compared to the classsical LED localization, the proposed modified LED localization explicitly accounts for the mean-field advective dynamics over the phase space of the PDF and CDF. To illustrate the accuracy of the proposed closure, we apply our CDF method to one-dimensional single-species reactive transport with uncertain, heterogeneous advection velocities and reaction rates modeled as random fields.

  2. The nature and role of advection in advection-diffusion equations used for modelling bed load transport

    Science.gov (United States)

    Ancey, Christophe; Bohorquez, Patricio; Heyman, Joris

    2016-04-01

    The advection-diffusion equation arises quite often in the context of sediment transport, e.g., for describing time and space variations in the particle activity (the solid volume of particles in motion per unit streambed area). Stochastic models can also be used to derive this equation, with the significant advantage that they provide information on the statistical properties of particle activity. Stochastic models are quite useful when sediment transport exhibits large fluctuations (typically at low transport rates), making the measurement of mean values difficult. We develop an approach based on birth-death Markov processes, which involves monitoring the evolution of the number of particles moving within an array of cells of finite length. While the topic has been explored in detail for diffusion-reaction systems, the treatment of advection has received little attention. We show that particle advection produces nonlocal effects, which are more or less significant depending on the cell size and particle velocity. Albeit nonlocal, these effects look like (local) diffusion and add to the intrinsic particle diffusion (dispersal due to velocity fluctuations), with the important consequence that local measurements depend on both the intrinsic properties of particle displacement and the dimensions of the measurement system.

  3. Mean field effects for counterpropagating traveling wave solutions of reaction-diffusion systems

    International Nuclear Information System (INIS)

    Bernoff, A.J.; Kuske, R.; Matkowsky, B.J.; Volpert, V.

    1995-01-01

    In many problems, one observes traveling waves that propagate with constant velocity and shape in the χ direction, say, are independent of y, and z and describe transitions between two equilibrium states. As parameters of the system are varied, these traveling waves can become unstable and give rise to waves having additional structure, such as traveling waves in the y and z directions, which can themselves be subject to instabilities as parameters are further varied. To investigate this scenario the authors consider a system of reaction-diffusion equations with a traveling wave solution as a basic state. They determine solutions bifurcating from the basic state that describe counterpropagating traveling wave in directions orthogonal to the direction of propagation of the basic state and determine their stability. Specifically, they derive long wave modulation equations for the amplitudes of the counterpropagating traveling waves that are coupled to an equation for a mean field, generated by the translation of the basic state in the direction of its propagation. The modulation equations are then employed to determine stability boundaries to long wave perturbations for both unidirectional and counterpropagating traveling waves. The stability analysis is delicate because the results depend on the order in which transverse and longitudinal perturbation wavenumbers are taken to zero. For the unidirectional wave they demonstrate that it is sufficient to consider the cases of (1) purely transverse perturbations, (2) purely longitudinal perturbations, and (3) longitudinal perturbations with a small transverse component. These yield Eckhaus type, zigzag type, and skew type instabilities, respectively

  4. An efficient explicit numerical scheme for diffusion-type equations with a highly inhomogeneous and highly anisotropic diffusion tensor

    International Nuclear Information System (INIS)

    Larroche, O.

    2007-01-01

    A locally split-step explicit (LSSE) algorithm was developed for efficiently solving a multi-dimensional advection-diffusion type equation involving a highly inhomogeneous and highly anisotropic diffusion tensor, which makes the problem very ill-conditioned for standard implicit methods involving the iterative solution of large linear systems. The need for such an optimized algorithm arises, in particular, in the frame of thermonuclear fusion applications, for the purpose of simulating fast charged-particle slowing-down with an ion Fokker-Planck code. The LSSE algorithm is presented in this paper along with the results of a model slowing-down problem to which it has been applied

  5. Solving the neutron diffusion equation on combinatorial geometry computational cells for reactor physics calculations

    International Nuclear Information System (INIS)

    Azmy, Y. Y.

    2004-01-01

    An approach is developed for solving the neutron diffusion equation on combinatorial geometry computational cells, that is computational cells composed by combinatorial operations involving simple-shaped component cells. The only constraint on the component cells from which the combinatorial cells are assembled is that they possess a legitimate discretization of the underlying diffusion equation. We use the Finite Difference (FD) approximation of the x, y-geometry diffusion equation in this work. Performing the same combinatorial operations involved in composing the combinatorial cell on these discrete-variable equations yields equations that employ new discrete variables defined only on the combinatorial cell's volume and faces. The only approximation involved in this process, beyond the truncation error committed in discretizing the diffusion equation over each component cell, is a consistent-order Legendre series expansion. Preliminary results for simple configurations establish the accuracy of the solution to the combinatorial geometry solution compared to straight FD as the system dimensions decrease. Furthermore numerical results validate the consistent Legendre-series expansion order by illustrating the second order accuracy of the combinatorial geometry solution, the same as standard FD. Nevertheless the magnitude of the error for the new approach is larger than FD's since it incorporates the additional truncated series approximation. (authors)

  6. Simulate-HEX - The multi-group diffusion equation in hexagonal-z geometry

    International Nuclear Information System (INIS)

    Lindahl, S. O.

    2013-01-01

    The multigroup diffusion equation is solved for the hexagonal-z geometry by dividing each hexagon into 6 triangles. In each triangle, the Fourier solution of the wave equation is approximated by 8 plane waves to describe the intra-nodal flux accurately. In the end an efficient Finite Difference like equation is obtained. The coefficients of this equation depend on the flux solution itself and they are updated once per power/void iteration. A numerical example demonstrates the high accuracy of the method. (authors)

  7. A numerical scheme for singularly perturbed reaction-diffusion problems with a negative shift via numerov method

    Science.gov (United States)

    Dinesh Kumar, S.; Nageshwar Rao, R.; Pramod Chakravarthy, P.

    2017-11-01

    In this paper, we consider a boundary value problem for a singularly perturbed delay differential equation of reaction-diffusion type. We construct an exponentially fitted numerical method using Numerov finite difference scheme, which resolves not only the boundary layers but also the interior layers arising from the delay term. An extensive amount of computational work has been carried out to demonstrate the applicability of the proposed method.

  8. Real-time nonlinear feedback control of pattern formation in (bio)chemical reaction-diffusion processes: a model study.

    Science.gov (United States)

    Brandt-Pollmann, U; Lebiedz, D; Diehl, M; Sager, S; Schlöder, J

    2005-09-01

    Theoretical and experimental studies related to manipulation of pattern formation in self-organizing reaction-diffusion processes by appropriate control stimuli become increasingly important both in chemical engineering and cellular biochemistry. In a model study, we demonstrate here exemplarily the application of an efficient nonlinear model predictive control (NMPC) algorithm to real-time optimal feedback control of pattern formation in a bacterial chemotaxis system modeled by nonlinear partial differential equations. The corresponding drift-diffusion model type is representative for many (bio)chemical systems involving nonlinear reaction dynamics and nonlinear diffusion. We show how the computed optimal feedback control strategy exploits the system inherent physical property of wave propagation to achieve desired control aims. We discuss various applications of our approach to optimal control of spatiotemporal dynamics.

  9. 1D to 3D diffusion-reaction kinetics of defects in crystals

    DEFF Research Database (Denmark)

    Trinkaus, H.; Heinisch, H.L.; Barashev, A.V.

    2002-01-01

    Microstructural features evolving in crystalline solids from diffusion-reaction kinetics of mobile components depend crucially on the dimension of the underlying diffusion process which is commonly assumed to be three-dimensional (3D). In metals, irradiation-induced displacement cascades produce...... clusters of self-interstitials performing 1D diffusion. Changes between equivalent 1D diffusion paths and transversal diffusion result in diffusion-reaction kinetics between one and three dimensions. An analytical approach suggests a single-variable function (master curve) interpolating between the 1D...

  10. Operator Splitting Methods for Degenerate Convection-Diffusion Equations I: Convergence and Entropy Estimates

    Energy Technology Data Exchange (ETDEWEB)

    Holden, Helge; Karlsen, Kenneth H.; Lie, Knut-Andreas

    1999-10-01

    We present and analyze a numerical method for the solution of a class of scalar, multi-dimensional, nonlinear degenerate convection-diffusion equations. The method is based on operator splitting to separate the convective and the diffusive terms in the governing equation. The nonlinear, convective part is solved using front tracking and dimensional splitting, while the nonlinear diffusion equation is solved by a suitable difference scheme. We verify L{sup 1} compactness of the corresponding set of approximate solutions and derive precise entropy estimates. In particular, these results allow us to pass to the limit in our approximations and recover an entropy solution of the problem in question. The theory presented covers a large class of equations. Important subclasses are hyperbolic conservation laws, porous medium type equations, two-phase reservoir flow equations, and strongly degenerate equations coming from the recent theory of sedimentation-consolidation processes. A thorough numerical investigation of the method analyzed in this paper (and similar methods) is presented in a companion paper. (author)

  11. Second order time evolution of the multigroup diffusion and P1 equations for radiation transport

    International Nuclear Information System (INIS)

    Olson, Gordon L.

    2011-01-01

    Highlights: → An existing multigroup transport algorithm is extended to be second-order in time. → A new algorithm is presented that does not require a grey acceleration solution. → The two algorithms are tested with 2D, multi-material problems. → The two algorithms have comparable computational requirements. - Abstract: An existing solution method for solving the multigroup radiation equations, linear multifrequency-grey acceleration, is here extended to be second order in time. This method works for simple diffusion and for flux-limited diffusion, with or without material conduction. A new method is developed that does not require the solution of an averaged grey transport equation. It is effective solving both the diffusion and P 1 forms of the transport equation. Two dimensional, multi-material test problems are used to compare the solution methods.

  12. Analysis and Application of High Resolution Numerical Perturbation Algorithm for Convective-Diffusion Equation

    International Nuclear Information System (INIS)

    Gao Zhi; Shen Yi-Qing

    2012-01-01

    The high resolution numerical perturbation (NP) algorithm is analyzed and tested using various convective-diffusion equations. The NP algorithm is constructed by splitting the second order central difference schemes of both convective and diffusion terms of the convective-diffusion equation into upstream and downstream parts, then the perturbation reconstruction functions of the convective coefficient are determined using the power-series of grid interval and eliminating the truncated errors of the modified differential equation. The important nature, i.e. the upwind dominance nature, which is the basis to ensuring that the NP schemes are stable and essentially oscillation free, is firstly presented and verified. Various numerical cases show that the NP schemes are efficient, robust, and more accurate than the original second order central scheme

  13. Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

    Directory of Open Access Journals (Sweden)

    Matthew J Simpson

    Full Text Available Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0diffusivity associated with the spreading density profile, (iii the reaction rate, and (iv the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t.

  14. Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

    Science.gov (United States)

    Simpson, Matthew J

    2015-01-01

    Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE) on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0exact solutions with numerical approximations confirms the veracity of the method. Furthermore, our examples illustrate a delicate interplay between: (i) the rate at which the domain elongates, (ii) the diffusivity associated with the spreading density profile, (iii) the reaction rate, and (iv) the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t).

  15. Monte Carlo Finite Volume Element Methods for the Convection-Diffusion Equation with a Random Diffusion Coefficient

    Directory of Open Access Journals (Sweden)

    Qian Zhang

    2014-01-01

    Full Text Available The paper presents a framework for the construction of Monte Carlo finite volume element method (MCFVEM for the convection-diffusion equation with a random diffusion coefficient, which is described as a random field. We first approximate the continuous stochastic field by a finite number of random variables via the Karhunen-Loève expansion and transform the initial stochastic problem into a deterministic one with a parameter in high dimensions. Then we generate independent identically distributed approximations of the solution by sampling the coefficient of the equation and employing finite volume element variational formulation. Finally the Monte Carlo (MC method is used to compute corresponding sample averages. Statistic error is estimated analytically and experimentally. A quasi-Monte Carlo (QMC technique with Sobol sequences is also used to accelerate convergence, and experiments indicate that it can improve the efficiency of the Monte Carlo method.

  16. Dimensional reduction of a general advection–diffusion equation in 2D channels

    Science.gov (United States)

    Kalinay, Pavol; Slanina, František

    2018-06-01

    Diffusion of point-like particles in a two-dimensional channel of varying width is studied. The particles are driven by an arbitrary space dependent force. We construct a general recurrence procedure mapping the corresponding two-dimensional advection-diffusion equation onto the longitudinal coordinate x. Unlike the previous specific cases, the presented procedure enables us to find the one-dimensional description of the confined diffusion even for non-conservative (vortex) forces, e.g. caused by flowing solvent dragging the particles. We show that the result is again the generalized Fick–Jacobs equation. Despite of non existing scalar potential in the case of vortex forces, the effective one-dimensional scalar potential, as well as the corresponding quasi-equilibrium and the effective diffusion coefficient can be always found.

  17. A Bloch-Torrey Equation for Diffusion in a Deforming Media

    International Nuclear Information System (INIS)

    Rohmer, Damien; Gullberg, Grant T.

    2006-01-01

    Diffusion Tensor Magnetic Resonance Imaging (DTMRI)technique enables the measurement of diffusion parameters and therefore, informs on the structure of the biological tissue. This technique is applied with success to the static organs such as brain. However, the diffusion measurement on the dynamically deformable organs such as the in-vivo heart is a complex problem that has however a great potential in the measurement of cardiac health. In order to understand the behavior of the Magnetic Resonance (MR)signal in a deforming media, the Bloch-Torrey equation that leads the MR behavior is expressed in general curvilinear coordinates. These coordinates enable to follow the heart geometry and deformations through time. The equation is finally discredited and presented in a numerical formulation using implicit methods, in order to get a stable scheme that can be applied to any smooth deformations. Diffusion process enables the link between the macroscopic behavior of molecules and the microscopic structure in which they evolve. The measurement of diffusion in biological tissues is therefore of major importance in understanding the complex underlying structure that cannot be studied directly. The Diffusion Tensor Magnetic Resonance Imaging(DTMRI) technique enables the measurement of diffusion parameters and therefore provides information on the structure of the biological tissue. This technique has been applied with success to static organs such as the brain. However, diffusion measurement of dynamically deformable organs such as the in-vivo heart remains a complex problem, which holds great potential in determining cardiac health. In order to understand the behavior of the magnetic resonance (MR) signal in a deforming media, the Bloch-Torrey equation that defines the MR behavior is expressed in general curvilinear coordinates. These coordinates enable us to follow the heart geometry and deformations through time. The equation is finally discredited and presented in a

  18. How to approximate the heat equation with Neumann boundary conditions by nonlocal diffusion problems

    OpenAIRE

    Cortazar, C.; Elgueta, M.; Rossi, J. D.; Wolanski, N.

    2006-01-01

    We present a model for nonlocal diffusion with Neumann boundary conditions in a bounded smooth domain prescribing the flux through the boundary. We study the limit of this family of nonlocal diffusion operators when a rescaling parameter related to the kernel of the nonlocal operator goes to zero. We prove that the solutions of this family of problems converge to a solution of the heat equation with Neumann boundary conditions.

  19. FEM for time-fractional diffusion equations, novel optimal error analyses

    OpenAIRE

    Mustapha, Kassem

    2016-01-01

    A semidiscrete Galerkin finite element method applied to time-fractional diffusion equations with time-space dependent diffusivity on bounded convex spatial domains will be studied. The main focus is on achieving optimal error results with respect to both the convergence order of the approximate solution and the regularity of the initial data. By using novel energy arguments, for each fixed time $t$, optimal error bounds in the spatial $L^2$- and $H^1$-norms are derived for both cases: smooth...

  20. Sigma set scattering equations in nuclear reaction theory

    International Nuclear Information System (INIS)

    Kowalski, K.L.; Picklesimer, A.

    1982-01-01

    The practical applications of partially summed versions of the Rosenberg equations involving only special subsets (sigma sets) of the physical amplitudes are investigated with special attention to the Pauli principle. The requisite properties of the transformations from the pair labels to the set of partitions labeling the sigma set of asymptotic channels are established. New, well-defined, scattering integral equations for the antisymmetrized transition operators are found which possess much less coupling among the physically distinct channels than hitherto expected for equations with kernels of equal complexity. In several cases of physical interest in nuclear physics, a single connected-kernel equation is obtained for the relevant antisymmetrized elastic scattering amplitude

  1. A piecewise linear finite element discretization of the diffusion equation for arbitrary polyhedral grids

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, T S; Adams, M L [Texas A M Univ., Dept. of Nuclear Engineering, College Station, TX (United States); Yang, B; Zika, M R [Lawrence Livermore National Lab., Livermore, CA (United States)

    2005-07-01

    We develop a piecewise linear (PWL) Galerkin finite element spatial discretization for the multi-dimensional radiation diffusion equation. It uses piecewise linear weight and basis functions in the finite element approximation, and it can be applied on arbitrary polygonal (2-dimensional) or polyhedral (3-dimensional) grids. We show that this new PWL method gives solutions comparable to those from Palmer's finite-volume method. However, since the PWL method produces a symmetric positive definite coefficient matrix, it should be substantially more computationally efficient than Palmer's method, which produces an asymmetric matrix. We conclude that the Galerkin PWL method is an attractive option for solving diffusion equations on unstructured grids. (authors)

  2. Application of Fokker-Planck equation in positron diffusion trapping model

    International Nuclear Information System (INIS)

    Bartosova, I.; Ballo, P.

    2015-01-01

    This paper is a theoretical prelude to future work involving positron diffusion in solids for the purpose of positron annihilation lifetime spectroscopy (PALS). PALS is a powerful tool used to study defects present in materials. However, the behavior of positrons in solids is a process hard to describe. Various models have been established to undertake this task. Our preliminary model is based on the Diffusion Trapping Model (DTM) described by partial differential Fokker-Planck equation and is solved via time discretization. Fokker-Planck equation describes the time evolution of the probability density function of velocity of a particle under the influence of various forces. (authors)

  3. Simulation of the diffusion equation on a type-II quantum computer

    International Nuclear Information System (INIS)

    Berman, G.P.; Kamenev, D.I.; Ezhov, A.A.; Yepez, J.

    2002-01-01

    A lattice-gas algorithm for the one-dimensional diffusion equation is realized using radio frequency pulses in a one-dimensional spin system. The model is a large array of quantum two-qubit nodes interconnected by the nearest-neighbor classical communication channels. We present a quantum protocol for implementation of the quantum collision operator and a method for initialization and reinitialization of quantum states. Numerical simulations of the quantum-classical dynamics are in good agreement with the analytic solution for the diffusion equation

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

    Directory of Open Access Journals (Sweden)

    Yunying Zheng

    2011-01-01

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

  5. Pseudodynamic systems approach based on a quadratic approximation of update equations for diffuse optical tomography.

    Science.gov (United States)

    Biswas, Samir Kumar; Kanhirodan, Rajan; Vasu, Ram Mohan; Roy, Debasish

    2011-08-01

    We explore a pseudodynamic form of the quadratic parameter update equation for diffuse optical tomographic reconstruction from noisy data. A few explicit and implicit strategies for obtaining the parameter updates via a semianalytical integration of the pseudodynamic equations are proposed. Despite the ill-posedness of the inverse problem associated with diffuse optical tomography, adoption of the quadratic update scheme combined with the pseudotime integration appears not only to yield higher convergence, but also a muted sensitivity to the regularization parameters, which include the pseudotime step size for integration. These observations are validated through reconstructions with both numerically generated and experimentally acquired data.

  6. An analytical solution for the two-group kinetic neutron diffusion equation in cylindrical geometry

    International Nuclear Information System (INIS)

    Fernandes, Julio Cesar L.; Vilhena, Marco Tullio; Bodmann, Bardo Ernst

    2011-01-01

    Recently the two-group Kinetic Neutron Diffusion Equation with six groups of delay neutron precursor in a rectangle was solved by the Laplace Transform Technique. In this work, we report on an analytical solution for this sort of problem but in cylindrical geometry, assuming a homogeneous and infinite height cylinder. The solution is obtained applying the Hankel Transform to the Kinetic Diffusion equation and solving the transformed problem by the same procedure used in the rectangle. We also present numerical simulations and comparisons against results available in literature. (author)

  7. Generalized Analytical Treatment Of The Source Strength In The Solution Of The Diffusion Equation

    International Nuclear Information System (INIS)

    Essa, Kh.S.M.; EI-Otaify, M.S.

    2007-01-01

    The source release strength (which is an integral part of the mathematical formulation of the diffusion equation) together with the boundary conditions leads to three different forms of the diffusion equation. The obtained forms have been solved analytically under different boundary conditions, by using transformation of axis, cosine, and Fourier transformation. Three equivalent alternative mathematical formulations of the problem have been obtained. The estimated solution of the concentrations at the ground source has been used for comparison with observed concentrations data for SF 6 tracer experiments in low wind and unstable conditions at lIT Delhi sports ground. A good agreement between estimated and observed concentrations is found

  8. NUMERICAL METHODS FOR SOLVING THE MULTI-TERM TIME-FRACTIONAL WAVE-DIFFUSION EQUATION.

    Science.gov (United States)

    Liu, F; Meerschaert, M M; McGough, R J; Zhuang, P; Liu, Q

    2013-03-01

    In this paper, the multi-term time-fractional wave-diffusion equations are considered. The multi-term time fractional derivatives are defined in the Caputo sense, whose orders belong to the intervals [0,1], [1,2), [0,2), [0,3), [2,3) and [2,4), respectively. Some computationally effective numerical methods are proposed for simulating the multi-term time-fractional wave-diffusion equations. The numerical results demonstrate the effectiveness of theoretical analysis. These methods and techniques can also be extended to other kinds of the multi-term fractional time-space models with fractional Laplacian.

  9. NUMERICAL METHODS FOR SOLVING THE MULTI-TERM TIME-FRACTIONAL WAVE-DIFFUSION EQUATION

    OpenAIRE

    Liu, F.; Meerschaert, M.M.; McGough, R.J.; Zhuang, P.; Liu, Q.

    2013-01-01

    In this paper, the multi-term time-fractional wave-diffusion equations are considered. The multi-term time fractional derivatives are defined in the Caputo sense, whose orders belong to the intervals [0,1], [1,2), [0,2), [0,3), [2,3) and [2,4), respectively. Some computationally effective numerical methods are proposed for simulating the multi-term time-fractional wave-diffusion equations. The numerical results demonstrate the effectiveness of theoretical analysis. These methods and technique...

  10. assessment of concentration of air pollutants using analytical and numerical solution of the atmospheric diffusion equation

    International Nuclear Information System (INIS)

    Esmail, S.F.H.

    2011-01-01

    The mathematical formulation of numerous physical problems a results in differential equations actually partial or ordinary differential equations.In our study we are interested in solutions of partial differential equations.The aim of this work is to calculate the concentrations of the pollution, by solving the atmospheric diffusion equation(ADE) using different mathematical methods of solution. It is difficult to solve the general form of ADE analytically, so we use some assumptions to get its solution.The solutions of it depend on the eddy diffusivity profiles(k) and the wind speed u. We use some physical assumptions to simplify its formula and solve it. In the present work, we solve the ADE analytically in three dimensions using Green's function method, Laplace transform method, normal mode method and these separation of variables method. Also, we use ADM as a numerical method. Finally, comparisons are made with the results predicted by the previous methods and the observed data.

  11. A moving mesh finite difference method for equilibrium radiation diffusion equations

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xiaobo, E-mail: xwindyb@126.com [Department of Mathematics, College of Science, China University of Mining and Technology, Xuzhou, Jiangsu 221116 (China); Huang, Weizhang, E-mail: whuang@ku.edu [Department of Mathematics, University of Kansas, Lawrence, KS 66045 (United States); Qiu, Jianxian, E-mail: jxqiu@xmu.edu.cn [School of Mathematical Sciences and Fujian Provincial Key Laboratory of Mathematical Modeling and High-Performance Scientific Computing, Xiamen University, Xiamen, Fujian 361005 (China)

    2015-10-01

    An efficient moving mesh finite difference method is developed for the numerical solution of equilibrium radiation diffusion equations in two dimensions. The method is based on the moving mesh partial differential equation approach and moves the mesh continuously in time using a system of meshing partial differential equations. The mesh adaptation is controlled through a Hessian-based monitor function and the so-called equidistribution and alignment principles. Several challenging issues in the numerical solution are addressed. Particularly, the radiation diffusion coefficient depends on the energy density highly nonlinearly. This nonlinearity is treated using a predictor–corrector and lagged diffusion strategy. Moreover, the nonnegativity of the energy density is maintained using a cutoff method which has been known in literature to retain the accuracy and convergence order of finite difference approximation for parabolic equations. Numerical examples with multi-material, multiple spot concentration situations are presented. Numerical results show that the method works well for radiation diffusion equations and can produce numerical solutions of good accuracy. It is also shown that a two-level mesh movement strategy can significantly improve the efficiency of the computation.

  12. Construction and analysis of lattice Boltzmann methods applied to a 1D convection-diffusion equation

    International Nuclear Information System (INIS)

    Dellacherie, Stephane

    2014-01-01

    To solve the 1D (linear) convection-diffusion equation, we construct and we analyze two LBM schemes built on the D1Q2 lattice. We obtain these LBM schemes by showing that the 1D convection-diffusion equation is the fluid limit of a discrete velocity kinetic system. Then, we show in the periodic case that these LBM schemes are equivalent to a finite difference type scheme named LFCCDF scheme. This allows us, firstly, to prove the convergence in L∞ of these schemes, and to obtain discrete maximum principles for any time step in the case of the 1D diffusion equation with different boundary conditions. Secondly, this allows us to obtain most of these results for the Du Fort-Frankel scheme for a particular choice of the first iterate. We also underline that these LBM schemes can be applied to the (linear) advection equation and we obtain a stability result in L∞ under a classical CFL condition. Moreover, by proposing a probabilistic interpretation of these LBM schemes, we also obtain Monte-Carlo algorithms which approach the 1D (linear) diffusion equation. At last, we present numerical applications justifying these results. (authors)

  13. Solutions of diffusion equations in two-dimensional cylindrical geometry by series expansions

    International Nuclear Information System (INIS)

    Ohtani, Nobuo

    1976-01-01

    A solution of the multi-group multi-regional diffusion equation in two-dimensional cylindrical (rho-z) geometry is obtained in the form of a regionwise double series composed of Bessel and trigonometrical functions. The diffusion equation is multiplied by weighting functions, which satisfy the homogeneous part of the diffusion equation, and the products are integrated over the region for obtaining the equations to determine the fluxes and their normal derivatives at the region boundaries. Multiplying the diffusion equation by each function of the set used for the flux expansion, then integrating the products, the coefficients of the double series of the flux inside each region are calculated using the boundary values obtained above. Since the convergence of the series thus obtained is slow especially near the region boundaries, a method for improving the convergence has been developed. The double series of the flux is separated into two parts. The normal derivative at the region boundary of the first part is zero, and that of the second part takes the value which is obtained in the first stage of this method. The second part is replaced by a continuous function, and the flux is represented by the sum of the continuous function and the double series. A sample critical problem of a two-group two-region system is numerically studied. The results show that the present method yields very accurately the flux integrals in each region with only a small number of expansion terms. (auth.)

  14. A moving mesh finite difference method for equilibrium radiation diffusion equations

    International Nuclear Information System (INIS)

    Yang, Xiaobo; Huang, Weizhang; Qiu, Jianxian

    2015-01-01

    An efficient moving mesh finite difference method is developed for the numerical solution of equilibrium radiation diffusion equations in two dimensions. The method is based on the moving mesh partial differential equation approach and moves the mesh continuously in time using a system of meshing partial differential equations. The mesh adaptation is controlled through a Hessian-based monitor function and the so-called equidistribution and alignment principles. Several challenging issues in the numerical solution are addressed. Particularly, the radiation diffusion coefficient depends on the energy density highly nonlinearly. This nonlinearity is treated using a predictor–corrector and lagged diffusion strategy. Moreover, the nonnegativity of the energy density is maintained using a cutoff method which has been known in literature to retain the accuracy and convergence order of finite difference approximation for parabolic equations. Numerical examples with multi-material, multiple spot concentration situations are presented. Numerical results show that the method works well for radiation diffusion equations and can produce numerical solutions of good accuracy. It is also shown that a two-level mesh movement strategy can significantly improve the efficiency of the computation

  15. Solution of two group neutron diffusion equation by using homotopy analysis method

    International Nuclear Information System (INIS)

    Cavdar, S.

    2010-01-01

    The Homotopy Analysis Method (HAM), proposed in 1992 by Shi Jun Liao and has been developed since then, is based on differential geometry as well as homotopy which is a fundamental concept in topology. It has proved to be useful for obtaining series solutions of many such problems involving algebraic, linear/non-linear, ordinary/partial differential equations, differential-integral equations, differential-difference equations, and coupled equations of them. Briefly, through HAM, it is possible to construct a continuous mapping of an initial guess approximation to the exact solution of the equation of concern. An auxiliary linear operator is chosen to construct such kind of a continuous mapping and an auxiliary parameter is used to ensure the convergence of series solution. We present the solutions of two-group neutron diffusion equation through HAM in this work. We also compare the results with that obtained by other well-known solution analytical and numeric methods.

  16. New diffusion-like solutions of one-speed transport equations in spherical geometry

    International Nuclear Information System (INIS)

    Sahni, D.C.

    1988-01-01

    Stationary, one-speed, spherically symmetric transport equations are considered in a conservative medium. Closed-form expressions are obtained for the angular flux ψ(r, μ) that yield a total flux varying as 1/r by using Sonine transforms. Properties of this solution are studied and it is shown that the solution can not be identified as a diffusion mode solution of the transport equation. Limitations of the Sonine transform technique are noted. (author)

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

    Science.gov (United States)

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

    2009-03-01

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

  18. Synchronous parallel kinetic Monte Carlo for continuum diffusion-reaction systems

    International Nuclear Information System (INIS)

    Martinez, E.; Marian, J.; Kalos, M.H.; Perlado, J.M.

    2008-01-01

    A novel parallel kinetic Monte Carlo (kMC) algorithm formulated on the basis of perfect time synchronicity is presented. The algorithm is intended as a generalization of the standard n-fold kMC method, and is trivially implemented in parallel architectures. In its present form, the algorithm is not rigorous in the sense that boundary conflicts are ignored. We demonstrate, however, that, in their absence, or if they were correctly accounted for, our algorithm solves the same master equation as the serial method. We test the validity and parallel performance of the method by solving several pure diffusion problems (i.e. with no particle interactions) with known analytical solution. We also study diffusion-reaction systems with known asymptotic behavior and find that, for large systems with interaction radii smaller than the typical diffusion length, boundary conflicts are negligible and do not affect the global kinetic evolution, which is seen to agree with the expected analytical behavior. Our method is a controlled approximation in the sense that the error incurred by ignoring boundary conflicts can be quantified intrinsically, during the course of a simulation, and decreased arbitrarily (controlled) by modifying a few problem-dependent simulation parameters

  19. Reaction Diffusion Voronoi Diagrams: From Sensors Data to Computing

    Directory of Open Access Journals (Sweden)

    Alejandro Vázquez-Otero

    2015-05-01

    Full Text Available In this paper, a new method to solve computational problems using reaction diffusion (RD systems is presented. The novelty relies on the use of a model configuration that tailors its spatiotemporal dynamics to develop Voronoi diagrams (VD as a part of the system’s natural evolution. The proposed framework is deployed in a solution of related robotic problems, where the generalized VD are used to identify topological places in a grid map of the environment that is created from sensor measurements. The ability of the RD-based computation to integrate external information, like a grid map representing the environment in the model computational grid, permits a direct integration of sensor data into the model dynamics. The experimental results indicate that this method exhibits significantly less sensitivity to noisy data than the standard algorithms for determining VD in a grid. In addition, previous drawbacks of the computational algorithms based on RD models, like the generation of volatile solutions by means of excitable waves, are now overcome by final stable states.

  20. Stochastic flows, reaction-diffusion processes, and morphogenesis

    International Nuclear Information System (INIS)

    Kozak, J.J.; Hatlee, M.D.; Musho, M.K.; Politowicz, P.A.; Walsh, C.A.

    1983-01-01

    Recently, an exact procedure has been introduced [C. A. Walsh and J. J. Kozak, Phys. Rev. Lett.. 47: 1500 (1981)] for calculating the expected walk length for a walker undergoing random displacements on a finite or infinite (periodic) d-dimensional lattice with traps (reactive sites). The method (which is based on a classification of the symmetry of the sites surrounding the central deep trap and a coding of the fate of the random walker as it encounters a site of given symmetry) is applied here to several problems in lattice statistics for each of which exact results are presented. First, we assess the importance of lattice geometry in influencing the efficiency of reaction-diffusion processs in simple and multiple trap systems by reporting values of for square (cubic) versus hexagonal lattices in d = 2,3. We then show how the method may be applied to variable-step (distance-dependent) walks for a single walker on a given lattice and also demonstrate the calculation of the expected walk length for the case of multiple walkers. Finally, we make contact with recent discussions of ''mixing'' by showing that the degree of chaos associated with flows in certain lattice-systems can be calibrated by monitoring the lattice walks induced by the Poincare map of a certain parabolic function

  1. Quick and Easy Rate Equations for Multistep Reactions

    Science.gov (United States)

    Savage, Phillip E.

    2008-01-01

    Students rarely see closed-form analytical rate equations derived from underlying chemical mechanisms that contain more than a few steps unless restrictive simplifying assumptions (e.g., existence of a rate-determining step) are made. Yet, work published decades ago allows closed-form analytical rate equations to be written quickly and easily for…

  2. Reaction-diffusion-like formalism for plastic neural networks reveals dissipative solitons at criticality

    Science.gov (United States)

    Grytskyy, Dmytro; Diesmann, Markus; Helias, Moritz

    2016-06-01

    Self-organized structures in networks with spike-timing dependent synaptic plasticity (STDP) are likely to play a central role for information processing in the brain. In the present study we derive a reaction-diffusion-like formalism for plastic feed-forward networks of nonlinear rate-based model neurons with a correlation sensitive learning rule inspired by and being qualitatively similar to STDP. After obtaining equations that describe the change of the spatial shape of the signal from layer to layer, we derive a criterion for the nonlinearity necessary to obtain stable dynamics for arbitrary input. We classify the possible scenarios of signal evolution and find that close to the transition to the unstable regime metastable solutions appear. The form of these dissipative solitons is determined analytically and the evolution and interaction of several such coexistent objects is investigated.

  3. 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.

  4. Travelling wave and convergence in stage-structured reaction-diffusion competitive models with nonlocal delays

    International Nuclear Information System (INIS)

    Xu Rui; Chaplain, M.A.J.; Davidson, F.A.

    2006-01-01

    In this paper, we first investigate a stage-structured competitive model with time delays, harvesting, and nonlocal spatial effect. By using an iterative technique recently developed by Wu and Zou (Wu J, Zou X. Travelling wave fronts of reaction-diffusion systems with delay. J Dynam Differen Equat 2001;13:651-87), sufficient conditions are established for the existence of travelling front solution connecting the two boundary equilibria in the case when there is no positive equilibrium. The travelling wave front corresponds to an invasion by a stronger species which drives the weaker species to extinction. Secondly, we consider a stage-structured competitive model with time delays and nonlocal spatial effect when the domain is finite. We prove the global stability of each of the nonnegative equilibria and demonstrate that the more complex model studied here admits three possible long term behaviors: coexistence, bistability and dominance as is the case for the standard Lotka-Voltera competitive model

  5. Large-time behavior of solutions to a reaction-diffusion system with distributed microstructure

    NARCIS (Netherlands)

    Muntean, A.

    2009-01-01

    Abstract We study the large-time behavior of a class of reaction-diffusion systems with constant distributed microstructure arising when modeling diffusion and reaction in structured porous media. The main result of this Note is the following: As t ¿ 8 the macroscopic concentration vanishes, while

  6. Estimation and prediction of convection-diffusion-reaction systems from point measurement

    NARCIS (Netherlands)

    Vries, D.

    2008-01-01

    Different procedures with respect to estimation and prediction of systems characterized by convection, diffusion and reactions on the basis of point measurement data, have been studied. Two applications of these convection-diffusion-reaction (CDR) systems have been used as a case study of the

  7. Non-standard finite difference and Chebyshev collocation methods for solving fractional diffusion equation

    Science.gov (United States)

    Agarwal, P.; El-Sayed, A. A.

    2018-06-01

    In this paper, a new numerical technique for solving the fractional order diffusion equation is introduced. This technique basically depends on the Non-Standard finite difference method (NSFD) and Chebyshev collocation method, where the fractional derivatives are described in terms of the Caputo sense. The Chebyshev collocation method with the (NSFD) method is used to convert the problem into a system of algebraic equations. These equations solved numerically using Newton's iteration method. The applicability, reliability, and efficiency of the presented technique are demonstrated through some given numerical examples.

  8. Reduced equations of motion for quantum systems driven by diffusive Markov processes.

    Science.gov (United States)

    Sarovar, Mohan; Grace, Matthew D

    2012-09-28

    The expansion of a stochastic Liouville equation for the coupled evolution of a quantum system and an Ornstein-Uhlenbeck process into a hierarchy of coupled differential equations is a useful technique that simplifies the simulation of stochastically driven quantum systems. We expand the applicability of this technique by completely characterizing the class of diffusive Markov processes for which a useful hierarchy of equations can be derived. The expansion of this technique enables the examination of quantum systems driven by non-Gaussian stochastic processes with bounded range. We present an application of this extended technique by simulating Stark-tuned Förster resonance transfer in Rydberg atoms with nonperturbative position fluctuations.

  9. Spectral and evolutionary analysis of advection-diffusion equations and the shear flow paradigm

    International Nuclear Information System (INIS)

    Thyagaraja, A.; Loureiro, N.; Knight, P.J.

    2002-01-01

    Advection-diffusion equations occur in a wide variety of fields in many contexts of active and passive transport in fluids and plasmas. The effects of sheared advective flows in the presence of irreversible processes such as diffusion and viscosity are of considerable current interest in tokamak and astrophysical contexts, where they are thought to play a key role in both transport and the dynamical structures characteristic of electromagnetic plasma turbulence. In this paper we investigate the spectral and evolutionary properties of relatively simple, linear, advection-diffusion equations. We apply analytical approaches based on standard Green's function methods to obtain insight into the nature of the spectra when the advective and diffusive effects occur separately and in combination. In particular, the physically interesting limit of small (but finite) diffusion is studied in detail. The analytical work is extended and supplemented by numerical techniques involving a direct solution of the eigenvalue problem as well as evolutionary studies of the initial value problem using a parallel code, CADENCE. The three approaches are complementary and entirely consistent with each other when appropriate comparison is made. They reveal different aspects of the properties of the advection-diffusion equation, such as the ability of sheared flows to generate a direct cascade to high wave numbers transverse to the advection and the consequent enhancement of even small amounts of diffusivity. The invariance properties of the spectra in the low diffusivity limit and the ability of highly sheared, jet-like flows to 'confine' transport to low shear regions are demonstrated. The implications of these properties in a wider context are discussed and set in perspective. (author)

  10. Applicability of the Fokker-Planck equation to the description of diffusion effects on nucleation

    Science.gov (United States)

    Sorokin, M. V.; Dubinko, V. I.; Borodin, V. A.

    2017-01-01

    The nucleation of islands in a supersaturated solution of surface adatoms is considered taking into account the possibility of diffusion profile formation in the island vicinity. It is shown that the treatment of diffusion-controlled cluster growth in terms of the Fokker-Planck equation is justified only provided certain restrictions are satisfied. First of all, the standard requirement that diffusion profiles of adatoms quickly adjust themselves to the actual island sizes (adiabatic principle) can be realized only for sufficiently high island concentration. The adiabatic principle is essential for the probabilities of adatom attachment to and detachment from island edges to be independent of the adatom diffusion profile establishment kinetics, justifying the island nucleation treatment as the Markovian stochastic process. Second, it is shown that the commonly used definition of the "diffusion" coefficient in the Fokker-Planck equation in terms of adatom attachment and detachment rates is justified only provided the attachment and detachment are statistically independent, which is generally not the case for the diffusion-limited growth of islands. We suggest a particular way to define the attachment and detachment rates that allows us to satisfy this requirement as well. When applied to the problem of surface island nucleation, our treatment predicts the steady-state nucleation barrier, which coincides with the conventional thermodynamic expression, even though no thermodynamic equilibrium is assumed and the adatom diffusion is treated explicitly. The effect of adatom diffusional profiles on the nucleation rate preexponential factor is also discussed. Monte Carlo simulation is employed to analyze the applicability domain of the Fokker-Planck equation and the diffusion effect beyond it. It is demonstrated that a diffusional cloud is slowing down the nucleation process for a given monomer interaction with the nucleus edge.

  11. Synchronization criteria for generalized reaction-diffusion neural networks via periodically intermittent control.

    Science.gov (United States)

    Gan, Qintao; Lv, Tianshi; Fu, Zhenhua

    2016-04-01

    In this paper, the synchronization problem for a class of generalized neural networks with time-varying delays and reaction-diffusion terms is investigated concerning Neumann boundary conditions in terms of p-norm. The proposed generalized neural networks model includes reaction-diffusion local field neural networks and reaction-diffusion static neural networks as its special cases. By establishing a new inequality, some simple and useful conditions are obtained analytically to guarantee the global exponential synchronization of the addressed neural networks under the periodically intermittent control. According to the theoretical results, the influences of diffusion coefficients, diffusion space, and control rate on synchronization are analyzed. Finally, the feasibility and effectiveness of the proposed methods are shown by simulation examples, and by choosing different diffusion coefficients, diffusion spaces, and control rates, different controlled synchronization states can be obtained.

  12. 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.

  13. 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

  14. Three-dimensional h-adaptivity for the multigroup neutron diffusion equations

    KAUST Repository

    Wang, Yaqi; Bangerth, Wolfgang; Ragusa, Jean

    2009-01-01

    diffusion equation for reactor applications. In order to follow the physics closely, energy group-dependent meshes are employed. We present a novel algorithm for assembling the terms coupling shape functions from different meshes and show how it can be made

  15. The KASY synthesis programme for the approximative solution of the 3-dimensional neutron diffusion equation

    International Nuclear Information System (INIS)

    Buckel, G.; Wouters, R. de; Pilate, S.

    1977-01-01

    The synthesis code KASY for an approximate solution of the three-dimensional neutron diffusion equation is described; the state of the art as well as envisaged program extensions and the application to tasks from the field of reactor designing are dealt with. (RW) [de

  16. A asymptotic numerical method for the steady-state convection diffusion equation

    International Nuclear Information System (INIS)

    Wu Qiguang

    1988-01-01

    In this paper, A asymptotic numerical method for the steady-state Convection diffusion equation is proposed, which need not take very fine mesh size in the neighbourhood of the boundary layer. Numerical computation for model problem show that we can obtain the numerical solution in the boundary layer with moderate step size

  17. Iterative method for obtaining the prompt and delayed alpha-modes of the diffusion equation

    International Nuclear Information System (INIS)

    Singh, K.P.; Degweker, S.B.; Modak, R.S.; Singh, Kanchhi

    2011-01-01

    Highlights: → A method for obtaining α-modes of the neutron diffusion equation has been developed. → The difference between the prompt and delayed modes is more pronounced for the higher modes. → Prompt and delayed modes differ more in reflector region. - Abstract: Higher modes of the neutron diffusion equation are required in some applications such as second order perturbation theory, and modal kinetics. In an earlier paper we had discussed a method for computing the α-modes of the diffusion equation. The discussion assumed that all neutrons are prompt. The present paper describes an extension of the method for finding the α-modes of diffusion equation with the inclusion of delayed neutrons. Such modes are particularly suitable for expanding the time dependent flux in a reactor for describing transients in a reactor. The method is illustrated by applying it to a three dimensional heavy water reactor model problem. The problem is solved in two and three neutron energy groups and with one and six delayed neutron groups. The results show that while the delayed α-modes are similar to λ-modes they are quite different from prompt modes. The difference gets progressively larger as we go to higher modes.

  18. Solution of the diffusion equation in the GPT theory by the Laplace transform technique

    International Nuclear Information System (INIS)

    Lemos, R.S.M.; Vilhena, M.T.; Segatto, C.F.; Silva, M.T.

    2003-01-01

    In this work we present a analytical solution to the auxiliary and importance functions attained from the solution of a multigroup diffusion problem in a multilayered slab by the Laplace Transform technique. We also obtain the the transcendental equation for the effective multiplication factor, resulting from the application of the boundary and interface conditions. (author)

  19. Instability of traveling waves of the convective-diffusive Cahn-Hilliard equation

    International Nuclear Information System (INIS)

    Gao Hongjun; Liu Changchun

    2004-01-01

    In this paper we study the instability of the traveling waves of the convective-diffusive Cahn-Hilliard equation. We prove that it is nonlinearly unstable under H 2 perturbations, for some traveling wave solution that is asymptotic to a constant as x→∞

  20. Multigrid solution of the convection-diffusion equation with high-Reynolds number

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jun [George Washington Univ., Washington, DC (United States)

    1996-12-31

    A fourth-order compact finite difference scheme is employed with the multigrid technique to solve the variable coefficient convection-diffusion equation with high-Reynolds number. Scaled inter-grid transfer operators and potential on vectorization and parallelization are discussed. The high-order multigrid method is unconditionally stable and produces solution of 4th-order accuracy. Numerical experiments are included.

  1. A family of analytical solutions of a nonlinear diffusion-convection equation

    Science.gov (United States)

    Hayek, Mohamed

    2018-01-01

    Despite its popularity in many engineering fields, the nonlinear diffusion-convection equation has no general analytical solutions. This work presents a family of closed-form analytical traveling wave solutions for the nonlinear diffusion-convection equation with power law nonlinearities. This kind of equations typically appears in nonlinear problems of flow and transport in porous media. The solutions that are addressed are simple and fully analytical. Three classes of analytical solutions are presented depending on the type of the nonlinear diffusion coefficient (increasing, decreasing or constant). It has shown that the structure of the traveling wave solution is strongly related to the diffusion term. The main advantage of the proposed solutions is that they are presented in a unified form contrary to existing solutions in the literature where the derivation of each solution depends on the specific values of the diffusion and convection parameters. The proposed closed-form solutions are simple to use, do not require any numerical implementation, and may be implemented in a simple spreadsheet. The analytical expressions are also useful to mathematically analyze the structure and properties of the solutions.

  2. Using Directional Diffusion Coefficients for Nonlinear Diffusion Acceleration of the First Order SN Equations in Near-Void Regions

    Energy Technology Data Exchange (ETDEWEB)

    Schunert, Sebastian; Hammer, Hans; Lou, Jijie; Wang, Yaqi; Ortensi, Javier; Gleicher, Frederick; Baker, Benjamin; DeHart, Mark; Martineau, Richard

    2016-11-01

    The common definition of the diffusion coeffcient as the inverse of three times the transport cross section is not compat- ible with voids. Morel introduced a non-local tensor diffusion coeffcient that remains finite in voids[1]. It can be obtained by solving an auxiliary transport problem without scattering or fission. Larsen and Trahan successfully applied this diffusion coeffcient for enhancing the accuracy of diffusion solutions of very high temperature reactor (VHTR) problems that feature large, optically thin channels in the z-direction [2]. It is demonstrated that a significant reduction of error can be achieved in particular in the optically thin region. Along the same line of thought, non-local diffusion tensors are applied modeling the TREAT reactor confirming the findings of Larsen and Trahan [3]. Previous work of the authors have introduced a flexible Nonlinear-Diffusion Acceleration (NDA) method for the first order S N equations discretized with the discontinuous finite element method (DFEM), [4], [5], [6]. This NDA method uses a scalar diffusion coeffcient in the low-order system that is obtained as the flux weighted average of the inverse transport cross section. Hence, it su?ers from very large and potentially unbounded diffusion coeffcients in the low order problem. However, it was noted that the choice of the diffusion coeffcient does not influence consistency of the method at convergence and hence the di?usion coeffcient is essentially a free parameter. The choice of the di?usion coeffcient does, however, affect the convergence behavior of the nonlinear di?usion iterations. Within this work we use Morel’s non-local di?usion coef- ficient in the aforementioned NDA formulation in lieu of the flux weighted inverse of three times the transport cross section. The goal of this paper is to demonstrate that significant en- hancement of the spectral properties of NDA can be achieved in near void regions. For testing the spectral properties of the NDA

  3. Chemical reactions as $\\Gamma$-limit of diffusion

    NARCIS (Netherlands)

    Peletier, M.A.; Savaré, G.; Veneroni, M.

    2012-01-01

    We study the limit of high activation energy of a special Fokker–Planck equation known as the Kramers–Smoluchowski equation (KS). This equation governs the time evolution of the probability density of a particle performing a Brownian motion under the influence of a chemical potential

  4. Advanced diffusion model in compacted bentonite based on modified Poisson-Boltzmann equations

    International Nuclear Information System (INIS)

    Yotsuji, K.; Tachi, Y.; Nishimaki, Y.

    2012-01-01

    Document available in extended abstract form only. Diffusion and sorption of radionuclides in compacted bentonite are the key processes in the safe geological disposal of radioactive waste. JAEA has developed the integrated sorption and diffusion (ISD) model for compacted bentonite by coupling the pore water chemistry, sorption and diffusion processes in consistent way. The diffusion model accounts consistently for cation excess and anion exclusion in narrow pores in compacted bentonite by the electric double layer (EDL) theory. The firstly developed ISD model could predict the diffusivity of the monovalent cation/anion in compacted bentonite as a function of dry density. This ISD model was modified by considering the visco-electric effect, and applied for diffusion data for various radionuclides measured under wide range of conditions (salinity, density, etc.). This modified ISD model can give better quantitative agreement with diffusion data for monovalent cation/anion, however, the model predictions still disagree with experimental data for multivalent cation and complex species. In this study we extract the additional key factors influencing diffusion model in narrow charged pores, and the effects of these factors were investigated to reach a better understanding of diffusion processes in compacted bentonite. We investigated here the dielectric saturation effect and the excluded volume effect into the present ISD model and numerically solved these modified Poisson-Boltzmann equations. In the vicinity of the negatively charged clay surfaces, it is necessary to evaluate concentration distribution of electrolytes considering the dielectric saturation effects. The Poisson-Boltzmann (P-B) equation coupled with the dielectric saturation effects was solved numerically by using Runge-Kutta and Shooting methods. Figure 1(a) shows the concentration distributions of Na + as numerical solutions of the modified and original P-B equations for 0.01 M pore water, 800 kg m -3

  5. Heterogeneity induces spatiotemporal oscillations in reaction-diffusion systems

    Science.gov (United States)

    Krause, Andrew L.; Klika, Václav; Woolley, Thomas E.; Gaffney, Eamonn A.

    2018-05-01

    We report on an instability arising in activator-inhibitor reaction-diffusion (RD) systems with a simple spatial heterogeneity. This instability gives rise to periodic creation, translation, and destruction of spike solutions that are commonly formed due to Turing instabilities. While this behavior is oscillatory in nature, it occurs purely within the Turing space such that no region of the domain would give rise to a Hopf bifurcation for the homogeneous equilibrium. We use the shadow limit of the Gierer-Meinhardt system to show that the speed of spike movement can be predicted from well-known asymptotic theory, but that this theory is unable to explain the emergence of these spatiotemporal oscillations. Instead, we numerically explore this system and show that the oscillatory behavior is caused by the destabilization of a steady spike pattern due to the creation of a new spike arising from endogeneous activator production. We demonstrate that on the edge of this instability, the period of the oscillations goes to infinity, although it does not fit the profile of any well-known bifurcation of a limit cycle. We show that nearby stationary states are either Turing unstable or undergo saddle-node bifurcations near the onset of the oscillatory instability, suggesting that the periodic motion does not emerge from a local equilibrium. We demonstrate the robustness of this spatiotemporal oscillation by exploring small localized heterogeneity and showing that this behavior also occurs in the Schnakenberg RD model. Our results suggest that this phenomenon is ubiquitous in spatially heterogeneous RD systems, but that current tools, such as stability of spike solutions and shadow-limit asymptotics, do not elucidate understanding. This opens several avenues for further mathematical analysis and highlights difficulties in explaining how robust patterning emerges from Turing's mechanism in the presence of even small spatial heterogeneity.

  6. Splitting Method for Solving the Coarse-Mesh Discretized Low-Order Quasi-Diffusion Equations

    International Nuclear Information System (INIS)

    Hiruta, Hikaru; Anistratov, Dmitriy Y.; Adams, Marvin L.

    2005-01-01

    In this paper, the development is presented of a splitting method that can efficiently solve coarse-mesh discretized low-order quasi-diffusion (LOQD) equations. The LOQD problem can reproduce exactly the transport scalar flux and current. To solve the LOQD equations efficiently, a splitting method is proposed. The presented method splits the LOQD problem into two parts: (a) the D problem that captures a significant part of the transport solution in the central parts of assemblies and can be reduced to a diffusion-type equation and (b) the Q problem that accounts for the complicated behavior of the transport solution near assembly boundaries. Independent coarse-mesh discretizations are applied: the D problem equations are approximated by means of a finite element method, whereas the Q problem equations are discretized using a finite volume method. Numerical results demonstrate the efficiency of the methodology presented. This methodology can be used to modify existing diffusion codes for full-core calculations (which already solve a version of the D problem) to account for transport effects

  7. Rarefied gas flows through a curved channel: Application of a diffusion-type equation

    Science.gov (United States)

    Aoki, Kazuo; Takata, Shigeru; Tatsumi, Eri; Yoshida, Hiroaki

    2010-11-01

    Rarefied gas flows through a curved two-dimensional channel, caused by a pressure or a temperature gradient, are investigated numerically by using a macroscopic equation of convection-diffusion type. The equation, which was derived systematically from the Bhatnagar-Gross-Krook model of the Boltzmann equation and diffuse-reflection boundary condition in a previous paper [K. Aoki et al., "A diffusion model for rarefied flows in curved channels," Multiscale Model. Simul. 6, 1281 (2008)], is valid irrespective of the degree of gas rarefaction when the channel width is much shorter than the scale of variations of physical quantities and curvature along the channel. Attention is also paid to a variant of the Knudsen compressor that can produce a pressure raise by the effect of the change of channel curvature and periodic temperature distributions without any help of moving parts. In the process of analysis, the macroscopic equation is (partially) extended to the case of the ellipsoidal-statistical model of the Boltzmann equation.

  8. Modeling single-file diffusion with step fractional Brownian motion and a generalized fractional Langevin equation

    International Nuclear Information System (INIS)

    Lim, S C; Teo, L P

    2009-01-01

    Single-file diffusion behaves as normal diffusion at small time and as subdiffusion at large time. These properties can be described in terms of fractional Brownian motion with variable Hurst exponent or multifractional Brownian motion. We introduce a new stochastic process called Riemann–Liouville step fractional Brownian motion which can be regarded as a special case of multifractional Brownian motion with a step function type of Hurst exponent tailored for single-file diffusion. Such a step fractional Brownian motion can be obtained as a solution of the fractional Langevin equation with zero damping. Various kinds of fractional Langevin equations and their generalizations are then considered in order to decide whether their solutions provide the correct description of the long and short time behaviors of single-file diffusion. The cases where the dissipative memory kernel is a Dirac delta function, a power-law function and a combination of these functions are studied in detail. In addition to the case where the short time behavior of single-file diffusion behaves as normal diffusion, we also consider the possibility of a process that begins as ballistic motion

  9. Simultaneous inversion for the space-dependent diffusion coefficient and the fractional order in the time-fractional diffusion equation

    International Nuclear Information System (INIS)

    Li, Gongsheng; Zhang, Dali; Jia, Xianzheng; Yamamoto, Masahiro

    2013-01-01

    This paper deals with an inverse problem of simultaneously identifying the space-dependent diffusion coefficient and the fractional order in the 1D time-fractional diffusion equation with smooth initial functions by using boundary measurements. The uniqueness results for the inverse problem are proved on the basis of the inverse eigenvalue problem, and the Lipschitz continuity of the solution operator is established. A modified optimal perturbation algorithm with a regularization parameter chosen by a sigmoid-type function is put forward for the discretization of the minimization problem. Numerical inversions are performed for the diffusion coefficient taking on different functional forms and the additional data having random noise. Several factors which have important influences on the realization of the algorithm are discussed, including the approximate space of the diffusion coefficient, the regularization parameter and the initial iteration. The inversion solutions are good approximations to the exact solutions with stability and adaptivity demonstrating that the optimal perturbation algorithm with the sigmoid-type regularization parameter is efficient for the simultaneous inversion. (paper)

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

    Science.gov (United States)

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

    2018-07-01

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

  11. Singular solution of the Feller diffusion equation via a spectral decomposition

    Science.gov (United States)

    Gan, Xinjun; Waxman, David

    2015-01-01

    Feller studied a branching process and found that the distribution for this process approximately obeys a diffusion equation [W. Feller, in Proceedings of the Second Berkeley Symposium on Mathematical Statistics and Probability (University of California Press, Berkeley and Los Angeles, 1951), pp. 227-246]. This diffusion equation and its generalizations play an important role in many scientific problems, including, physics, biology, finance, and probability theory. We work under the assumption that the fundamental solution represents a probability density and should account for all of the probability in the problem. Thus, under the circumstances where the random process can be irreversibly absorbed at the boundary, this should lead to the presence of a Dirac delta function in the fundamental solution at the boundary. However, such a feature is not present in the standard approach (Laplace transformation). Here we require that the total integrated probability is conserved. This yields a fundamental solution which, when appropriate, contains a term proportional to a Dirac delta function at the boundary. We determine the fundamental solution directly from the diffusion equation via spectral decomposition. We obtain exact expressions for the eigenfunctions, and when the fundamental solution contains a Dirac delta function at the boundary, every eigenfunction of the forward diffusion operator contains a delta function. We show how these combine to produce a weight of the delta function at the boundary which ensures the total integrated probability is conserved. The solution we present covers cases where parameters are time dependent, thereby greatly extending its applicability.

  12. Enhanced finite difference scheme for the neutron diffusion equation using the importance function

    International Nuclear Information System (INIS)

    Vagheian, Mehran; Vosoughi, Naser; Gharib, Morteza

    2016-01-01

    Highlights: • An enhanced finite difference scheme for the neutron diffusion equation is proposed. • A seven-step algorithm is considered based on the importance function. • Mesh points are distributed through entire reactor core with respect to the importance function. • The results all proved that the proposed algorithm is highly efficient. - Abstract: Mesh point positions in Finite Difference Method (FDM) of discretization for the neutron diffusion equation can remarkably affect the averaged neutron fluxes as well as the effective multiplication factor. In this study, by aid of improving the mesh point positions, an enhanced finite difference scheme for the neutron diffusion equation is proposed based on the neutron importance function. In order to determine the neutron importance function, the adjoint (backward) neutron diffusion calculations are performed in the same procedure as for the forward calculations. Considering the neutron importance function, the mesh points can be improved through the entire reactor core. Accordingly, in regions with greater neutron importance, density of mesh elements is higher than that in regions with less importance. The forward calculations are then performed for both of the uniform and improved non-uniform mesh point distributions and the results (the neutron fluxes along with the corresponding eigenvalues) for the two cases are compared with each other. The results are benchmarked against the reference values (with fine meshes) for Kang and Rod Bundle BWR benchmark problems. These benchmark cases revealed that the improved non-uniform mesh point distribution is highly efficient.

  13. Application of synthetic diffusion method in the numerical solution of the equations of neutron transport in slab geometry

    International Nuclear Information System (INIS)

    Valdes Parra, J.J.

    1986-01-01

    One of the main problems in reactor physics is to determine the neutron distribution in reactor core, since knowing that, it is possible to calculate the rapidity of occurrence of different nuclear reaction inside the reactor core. Within different theories existing in nuclear reactor physics, is neutron transport the one in which equation who govern the exact behavior of neutronic distribution are developed even inside the proper neutron transport theory, there exist different methods of solution which are approximations to exact solution; still more, with the purpose to reach a more precise solution, the majority of methods have been approached to the obtention of solutions in numerical form with the aim of take the advantages of modern computers, and for this reason a great deal of effort is dedicated to numerical solution of the equations of neutron transport. In agreement with the above mentioned, in this work has been developed a computer program which uses a relatively new techniques known as 'acceleration of synthetic diffusion' which has been applied to solve the neutron transport equation with 'classical schemes of spatial integration' obtaining results with a smaller quantity of interactions, if they compare to done without using such equation (Author)

  14. Rhodium SPND's Error Reduction using Extended Kalman Filter combined with Time Dependent Neutron Diffusion Equation

    International Nuclear Information System (INIS)

    Lee, Jeong Hun; Park, Tong Kyu; Jeon, Seong Su

    2014-01-01

    The Rhodium SPND is accurate in steady-state conditions but responds slowly to changes in neutron flux. The slow response time of Rhodium SPND precludes its direct use for control and protection purposes specially when nuclear power plant is used for load following. To shorten the response time of Rhodium SPND, there were some acceleration methods but they could not reflect neutron flux distribution in reactor core. On the other hands, some methods for core power distribution monitoring could not consider the slow response time of Rhodium SPND and noise effect. In this paper, time dependent neutron diffusion equation is directly used to estimate reactor power distribution and extended Kalman filter method is used to correct neutron flux with Rhodium SPND's and to shorten the response time of them. Extended Kalman filter is effective tool to reduce measurement error of Rhodium SPND's and even simple FDM to solve time dependent neutron diffusion equation can be an effective measure. This method reduces random errors of detectors and can follow reactor power level without cross-section change. It means monitoring system may not calculate cross-section at every time steps and computing time will be shorten. To minimize delay of Rhodium SPND's conversion function h should be evaluated in next study. Neutron and Rh-103 reaction has several decay chains and half-lives over 40 seconds causing delay of detection. Time dependent neutron diffusion equation will be combined with decay chains. Power level and distribution change corresponding movement of control rod will be tested with more complicated reference code as well as xenon effect. With these efforts, final result is expected to be used as a powerful monitoring tool of nuclear reactor core

  15. Rhodium SPND's Error Reduction using Extended Kalman Filter combined with Time Dependent Neutron Diffusion Equation

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jeong Hun; Park, Tong Kyu; Jeon, Seong Su [FNC Technology Co., Ltd., Yongin (Korea, Republic of)

    2014-05-15

    The Rhodium SPND is accurate in steady-state conditions but responds slowly to changes in neutron flux. The slow response time of Rhodium SPND precludes its direct use for control and protection purposes specially when nuclear power plant is used for load following. To shorten the response time of Rhodium SPND, there were some acceleration methods but they could not reflect neutron flux distribution in reactor core. On the other hands, some methods for core power distribution monitoring could not consider the slow response time of Rhodium SPND and noise effect. In this paper, time dependent neutron diffusion equation is directly used to estimate reactor power distribution and extended Kalman filter method is used to correct neutron flux with Rhodium SPND's and to shorten the response time of them. Extended Kalman filter is effective tool to reduce measurement error of Rhodium SPND's and even simple FDM to solve time dependent neutron diffusion equation can be an effective measure. This method reduces random errors of detectors and can follow reactor power level without cross-section change. It means monitoring system may not calculate cross-section at every time steps and computing time will be shorten. To minimize delay of Rhodium SPND's conversion function h should be evaluated in next study. Neutron and Rh-103 reaction has several decay chains and half-lives over 40 seconds causing delay of detection. Time dependent neutron diffusion equation will be combined with decay chains. Power level and distribution change corresponding movement of control rod will be tested with more complicated reference code as well as xenon effect. With these efforts, final result is expected to be used as a powerful monitoring tool of nuclear reactor core.

  16. Trace diffusion of different nuclear reactions products in polycrystalline tantalum

    International Nuclear Information System (INIS)

    Beyer, G.J.; Fromm, W.D.; Novgorodov, A.F.

    1976-07-01

    Measurements of the lattice diffusion coefficients for carrier free isotopes of Hf, Lu, Yb, Tm, Tb, Gd, Eu, Ba, Cs, Y, Sr, Rb and As in polycrystalline tantalum were made over the temperature range 1700 Fsub(As)>Fsub(lanthanides)>Fsub(Sr)>Fsub(Ba)>Fsub(Hf)>Fsub(Rb)>Fsub(Cs). The data indicate, that the Arrhenius relation was obeyed over the entire temperature range. Within the lanthanide-group no differences in the diffusion velocities could be detected, this fact points to a diffusion mechanism of Me 3+ -ions of lanthanides, Me 2+ -ions of earth alkaline elements and Me + -ions of alkaline elements. (author)

  17. A numerical study of one-dimensional replicating patterns in reaction-diffusion systems with non-linear diffusion coefficients

    International Nuclear Information System (INIS)

    Ferreri, J. C.; Carmen, A. del

    1998-01-01

    A numerical study of the dynamics of pattern evolution in reaction-diffusion systems is performed, although limited to one spatial dimension. The diffusion coefficients are nonlinear, based on powers of the scalar variables. The system keeps the dynamics of previous studies in the literature, but the presence of nonlinear diffusion generates a field of strong nonlinear interactions due to the presence of receding travelling waves. This field is limited by the plane of symmetry of the space domain and the last born outgoing travelling wave. These effects are discussed. (author). 10 refs., 7 figs

  18. A nonlocal and periodic reaction-diffusion-advection model of a single phytoplankton species.

    Science.gov (United States)

    Peng, Rui; Zhao, Xiao-Qiang

    2016-02-01

    In this article, we are concerned with a nonlocal reaction-diffusion-advection model which describes the evolution of a single phytoplankton species in a eutrophic vertical water column where the species relies solely on light for its metabolism. The new feature of our modeling equation lies in that the incident light intensity and the death rate are assumed to be time periodic with a common period. We first establish a threshold type result on the global dynamics of this model in terms of the basic reproduction number R0. Then we derive various characterizations of R0 with respect to the vertical turbulent diffusion rate, the sinking or buoyant rate and the water column depth, respectively, which in turn give rather precise conditions to determine whether the phytoplankton persist or become extinct. Our theoretical results not only extend the existing ones for the time-independent case, but also reveal new interesting effects of the modeling parameters and the time-periodic heterogeneous environment on persistence and extinction of the phytoplankton species, and thereby suggest important implications for phytoplankton growth control.

  19. Analysis of nonlinear parabolic equations modeling plasma diffusion across a magnetic field

    International Nuclear Information System (INIS)

    Hyman, J.M.; Rosenau, P.

    1984-01-01

    We analyse the evolutionary behavior of the solution of a pair of coupled quasilinear parabolic equations modeling the diffusion of heat and mass of a magnetically confined plasma. The solutions's behavior, due to the nonlinear diffusion coefficients, exhibits many new phenomena. In short time, the solution converges into a highly organized symmetric pattern that is almost completely independent of initial data. The asymptotic dynamics then become very simple and take place in a finite dimensional space. These conclusions are backed by extensive numerical experimentation

  20. Glider-based computing in reaction-diffusion hexagonal cellular automata

    International Nuclear Information System (INIS)

    Adamatzky, Andrew; Wuensche, Andrew; De Lacy Costello, Benjamin

    2006-01-01

    A three-state hexagonal cellular automaton, discovered in [Wuensche A. Glider dynamics in 3-value hexagonal cellular automata: the beehive rule. Int J Unconvention Comput, in press], presents a conceptual discrete model of a reaction-diffusion system with inhibitor and activator reagents. The automaton model of reaction-diffusion exhibits mobile localized patterns (gliders) in its space-time dynamics. We show how to implement the basic computational operations with these mobile localizations, and thus demonstrate collision-based logical universality of the hexagonal reaction-diffusion cellular automaton

  1. A Bloch-Torrey Equation for Diffusion in a Deforming Media

    Energy Technology Data Exchange (ETDEWEB)

    Rohmer, Damien; Gullberg, Grant T.

    2006-12-29

    Diffusion Tensor Magnetic Resonance Imaging (DTMRI)technique enables the measurement of diffusion parameters and therefore,informs on the structure of the biological tissue. This technique isapplied with success to the static organs such as brain. However, thediffusion measurement on the dynamically deformable organs such as thein-vivo heart is a complex problem that has however a great potential inthe measurement of cardiac health. In order to understand the behavior ofthe Magnetic Resonance (MR)signal in a deforming media, the Bloch-Torreyequation that leads the MR behavior is expressed in general curvilinearcoordinates. These coordinates enable to follow the heart geometry anddeformations through time. The equation is finally discretized andpresented in a numerical formulation using implicit methods, in order toget a stable scheme that can be applied to any smooth deformations.Diffusion process enables the link between the macroscopic behavior ofmolecules and themicroscopic structure in which they evolve. Themeasurement of diffusion in biological tissues is therefore of majorimportance in understanding the complex underlying structure that cannotbe studied directly. The Diffusion Tensor Magnetic ResonanceImaging(DTMRI) technique enables the measurement of diffusion parametersand therefore provides information on the structure of the biologicaltissue. This technique has been applied with success to static organssuch as the brain. However, diffusion measurement of dynamicallydeformable organs such as the in-vivo heart remains a complex problem,which holds great potential in determining cardiac health. In order tounderstand the behavior of the magnetic resonance (MR) signal in adeforming media, the Bloch-Torrey equation that defines the MR behavioris expressed in general curvilinear coordinates. These coordinates enableus to follow the heart geometry and deformations through time. Theequation is finally discretized and presented in a numerical formulationusing

  2. From quantum stochastic differential equations to Gisin-Percival state diffusion

    Science.gov (United States)

    Parthasarathy, K. R.; Usha Devi, A. R.

    2017-08-01

    Starting from the quantum stochastic differential equations of Hudson and Parthasarathy [Commun. Math. Phys. 93, 301 (1984)] and exploiting the Wiener-Itô-Segal isomorphism between the boson Fock reservoir space Γ (L2(R+ ) ⊗(Cn⊕Cn ) ) and the Hilbert space L2(μ ) , where μ is the Wiener probability measure of a complex n-dimensional vector-valued standard Brownian motion {B (t ) ,t ≥0 } , we derive a non-linear stochastic Schrödinger equation describing a classical diffusion of states of a quantum system, driven by the Brownian motion B. Changing this Brownian motion by an appropriate Girsanov transformation, we arrive at the Gisin-Percival state diffusion equation [N. Gisin and J. Percival, J. Phys. A 167, 315 (1992)]. This approach also yields an explicit solution of the Gisin-Percival equation, in terms of the Hudson-Parthasarathy unitary process and a randomized Weyl displacement process. Irreversible dynamics of system density operators described by the well-known Gorini-Kossakowski-Sudarshan-Lindblad master equation is unraveled by coarse-graining over the Gisin-Percival quantum state trajectories.

  3. Asymptotic Behavior for a Nonlocal Diffusion Equation in Domains with Holes

    OpenAIRE

    Cortazar, C.; Elgueta, M.; Quiros, F.; Wolanski, N.

    2011-01-01

    The paper deals with the asymptotic behavior of solutions to a non-local diffusion equation, $u_t=J*u-u:=Lu$, in an exterior domain, $\\Omega$, which excludes one or several holes, and with zero Dirichlet data on $\\mathbb{R}^N\\setminus\\Omega$. When the space dimension is three or more this behavior is given by a multiple of the fundamental solution of the heat equation away from the holes. On the other hand, if the solution is scaled according to its decay factor, close to the holes it behaves...

  4. The Transport Equation in Optically Thick Media: Discussion of IMC and its Diffusion Limit

    Energy Technology Data Exchange (ETDEWEB)

    Szoke, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Brooks, E. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2016-07-12

    We discuss the limits of validity of the Implicit Monte Carlo (IMC) method for the transport of thermally emitted radiation. The weakened coupling between the radiation and material energy of the IMC method causes defects in handling problems with strong transients. We introduce an approach to asymptotic analysis for the transport equation that emphasizes the fact that the radiation and material temperatures are always different in time-dependent problems, and we use it to show that IMC does not produce the correct diffusion limit. As this is a defect of IMC in the continuous equations, no improvement to its discretization can remedy it.

  5. Introductory Applications of Partial Differential Equations With Emphasis on Wave Propagation and Diffusion

    CERN Document Server

    Lamb, George L

    1995-01-01

    INTRODUCTORY APPLICATIONS OF PARTIAL DIFFERENTIAL EQUATIONS. With Emphasis on Wave Propagation and Diffusion. This is the ideal text for students and professionals who have some familiarity with partial differential equations, and who now wish to consolidate and expand their knowledge. Unlike most other texts on this topic, it interweaves prior knowledge of mathematics and physics, especially heat conduction and wave motion, into a presentation that demonstrates their interdependence. The result is a superb teaching text that reinforces the reader's understanding of both mathematics and physic

  6. A self-consistent nodal method in response matrix formalism for the multigroup diffusion equations

    International Nuclear Information System (INIS)

    Malambu, E.M.; Mund, E.H.

    1996-01-01

    We develop a nodal method for the multigroup diffusion equations, based on the transverse integration procedure (TIP). The efficiency of the method rests upon the convergence properties of a high-order multidimensional nodal expansion and upon numerical implementation aspects. The discrete 1D equations are cast in response matrix formalism. The derivation of the transverse leakage moments is self-consistent i.e. does not require additional assumptions. An outstanding feature of the method lies in the linear spatial shape of the local transverse leakage for the first-order scheme. The method is described in the two-dimensional case. The method is validated on some classical benchmark problems. (author)

  7. The determination of an unknown boundary condition in a fractional diffusion equation

    KAUST Repository

    Rundell, William

    2013-07-01

    In this article we consider an inverse boundary problem, in which the unknown boundary function ∂u/∂v = f(u) is to be determined from overposed data in a time-fractional diffusion equation. Based upon the free space fundamental solution, we derive a representation for the solution f as a nonlinear Volterra integral equation of second kind with a weakly singular kernel. Uniqueness and reconstructibility by iteration is an immediate result of a priori assumption on f and applying the fixed point theorem. Numerical examples are presented to illustrate the validity and effectiveness of the proposed method. © 2013 Copyright Taylor and Francis Group, LLC.

  8. Effective reaction rates in diffusion-limited phosphorylation-dephosphorylation cycles

    Science.gov (United States)

    Szymańska, Paulina; Kochańczyk, Marek; Miekisz, Jacek; Lipniacki, Tomasz

    2015-02-01

    We investigate the kinetics of the ubiquitous phosphorylation-dephosphorylation cycle on biological membranes by means of kinetic Monte Carlo simulations on the triangular lattice. We establish the dependence of effective macroscopic reaction rate coefficients as well as the steady-state phosphorylated substrate fraction on the diffusion coefficient and concentrations of opposing enzymes: kinases and phosphatases. In the limits of zero and infinite diffusion, the numerical results agree with analytical predictions; these two limits give the lower and the upper bound for the macroscopic rate coefficients, respectively. In the zero-diffusion limit, which is important in the analysis of dense systems, phosphorylation and dephosphorylation reactions can convert only these substrates which remain in contact with opposing enzymes. In the most studied regime of nonzero but small diffusion, a contribution linearly proportional to the diffusion coefficient appears in the reaction rate. In this regime, the presence of opposing enzymes creates inhomogeneities in the (de)phosphorylated substrate distributions: The spatial correlation function shows that enzymes are surrounded by clouds of converted substrates. This effect becomes important at low enzyme concentrations, substantially lowering effective reaction rates. Effective reaction rates decrease with decreasing diffusion and this dependence is more pronounced for the less-abundant enzyme. Consequently, the steady-state fraction of phosphorylated substrates can increase or decrease with diffusion, depending on relative concentrations of both enzymes. Additionally, steady states are controlled by molecular crowders which, mostly by lowering the effective diffusion of reactants, favor the more abundant enzyme.

  9. Helmholtz and Diffusion Equations Associated with Local Fractional Derivative Operators Involving the Cantorian and Cantor-Type Cylindrical Coordinates

    Directory of Open Access Journals (Sweden)

    Ya-Juan Hao

    2013-01-01

    Full Text Available The main object of this paper is to investigate the Helmholtz and diffusion equations on the Cantor sets involving local fractional derivative operators. The Cantor-type cylindrical-coordinate method is applied to handle the corresponding local fractional differential equations. Two illustrative examples for the Helmholtz and diffusion equations on the Cantor sets are shown by making use of the Cantorian and Cantor-type cylindrical coordinates.

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

    International Nuclear Information System (INIS)

    Sandev, D. Trivche

    2010-01-01

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

  11. A piecewise linear finite element discretization of the diffusion equation for arbitrary polyhedral grids

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, Teresa S. [Texas A and M University, Department of Nuclear Engineering, College Station, TX 77843-3133 (United States)], E-mail: baileyte@tamu.edu; Adams, Marvin L. [Texas A and M University, Department of Nuclear Engineering, College Station, TX 77843-3133 (United States)], E-mail: mladams@tamu.edu; Yang, Brian [Lawrence Livermore National Laboratory, Livermore, CA 94551 (United States); Zika, Michael R. [Lawrence Livermore National Laboratory, Livermore, CA 94551 (United States)], E-mail: zika@llnl.gov

    2008-04-01

    We develop a piecewise linear (PWL) Galerkin finite element spatial discretization for the multi-dimensional radiation diffusion equation. It uses recently introduced piecewise linear weight and basis functions in the finite element approximation and it can be applied on arbitrary polygonal (2D) or polyhedral (3D) grids. We first demonstrate some analytical properties of the PWL method and perform a simple mode analysis to compare the PWL method with Palmer's vertex-centered finite-volume method and with a bilinear continuous finite element method. We then show that this new PWL method gives solutions comparable to those from Palmer's. However, since the PWL method produces a symmetric positive-definite coefficient matrix, it should be substantially more computationally efficient than Palmer's method, which produces an asymmetric matrix. We conclude that the Galerkin PWL method is an attractive option for solving diffusion equations on unstructured grids.

  12. A piecewise linear finite element discretization of the diffusion equation for arbitrary polyhedral grids

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, T.S.; Adams, M.L. [Texas A M Univ., Dept. of Nuclear Engineering, College Station, TX (United States); Yang, B.; Zika, M.R. [Lawrence Livermore National Lab., Livermore, CA (United States)

    2005-07-01

    We develop a piecewise linear (PWL) Galerkin finite element spatial discretization for the multi-dimensional radiation diffusion equation. It uses piecewise linear weight and basis functions in the finite element approximation, and it can be applied on arbitrary polygonal (2-dimensional) or polyhedral (3-dimensional) grids. We show that this new PWL method gives solutions comparable to those from Palmer's finite-volume method. However, since the PWL method produces a symmetric positive definite coefficient matrix, it should be substantially more computationally efficient than Palmer's method, which produces an asymmetric matrix. We conclude that the Galerkin PWL method is an attractive option for solving diffusion equations on unstructured grids. (authors)

  13. A piecewise linear finite element discretization of the diffusion equation for arbitrary polyhedral grids

    International Nuclear Information System (INIS)

    Bailey, Teresa S.; Adams, Marvin L.; Yang, Brian; Zika, Michael R.

    2008-01-01

    We develop a piecewise linear (PWL) Galerkin finite element spatial discretization for the multi-dimensional radiation diffusion equation. It uses recently introduced piecewise linear weight and basis functions in the finite element approximation and it can be applied on arbitrary polygonal (2D) or polyhedral (3D) grids. We first demonstrate some analytical properties of the PWL method and perform a simple mode analysis to compare the PWL method with Palmer's vertex-centered finite-volume method and with a bilinear continuous finite element method. We then show that this new PWL method gives solutions comparable to those from Palmer's. However, since the PWL method produces a symmetric positive-definite coefficient matrix, it should be substantially more computationally efficient than Palmer's method, which produces an asymmetric matrix. We conclude that the Galerkin PWL method is an attractive option for solving diffusion equations on unstructured grids

  14. Solution of the multilayer multigroup neutron diffusion equation in cartesian geometry by fictitious borders power method

    Energy Technology Data Exchange (ETDEWEB)

    Zanette, Rodrigo; Petersen, Caudio Zen [Univ. Federal de Pelotas, Capao do Leao (Brazil). Programa de Pos Graduacao em Modelagem Matematica; Schramm, Marcello [Univ. Federal de Pelotas (Brazil). Centro de Engenharias; Zabadal, Jorge Rodolfo [Univ. Federal do Rio Grande do Sul, Tramandai (Brazil)

    2017-05-15

    In this paper a solution for the one-dimensional steady state Multilayer Multigroup Neutron Diffusion Equation in cartesian geometry by Fictitious Borders Power Method and a perturbative analysis of this solution is presented. For each new iteration of the power method, the neutron flux is reconstructed by polynomial interpolation, so that it always remains in a standard form. However when the domain is long, an almost singular matrix arises in the interpolation process. To eliminate this singularity the domain segmented in R regions, called fictitious regions. The last step is to solve the neutron diffusion equation for each fictitious region in analytical form locally. The results are compared with results present in the literature. In order to analyze the sensitivity of the solution, a perturbation in the nuclear parameters is inserted to determine how a perturbation interferes in numerical results of the solution.

  15. Calculation of the power factor using the neutron diffusion hybrid equation

    International Nuclear Information System (INIS)

    Costa da Silva, Adilson; Carvalho da Silva, Fernando; Senra Martinez, Aquilino

    2013-01-01

    Highlights: ► A neutron diffusion hybrid equation with an external neutron source was used. ► Nodal expansion method to obtain the neutron flux was used. ► Nuclear power factors in each fuel element in the reactor core were calculated. ► The results obtained were very accurate. -- Abstract: In this paper, we used a neutron diffusion hybrid equation with an external neutron source to calculate nuclear power factors in each fuel element in the reactor core. We used the nodal expansion method to obtain the neutron flux for a given control rods bank position. The results were compared with results obtained for eigenvalue problem near criticality condition and fixed source problem during the start-up of the reactor, where external neutron sources are extremely important for the stabilization of external neutron detectors.

  16. Prediction of the neutrons subcritical multiplication using the diffusion hybrid equation with external neutron sources

    Energy Technology Data Exchange (ETDEWEB)

    Costa da Silva, Adilson; Carvalho da Silva, Fernando [COPPE/UFRJ, Programa de Engenharia Nuclear, Caixa Postal 68509, 21941-914, Rio de Janeiro (Brazil); Senra Martinez, Aquilino, E-mail: aquilino@lmp.ufrj.br [COPPE/UFRJ, Programa de Engenharia Nuclear, Caixa Postal 68509, 21941-914, Rio de Janeiro (Brazil)

    2011-07-15

    Highlights: > We proposed a new neutron diffusion hybrid equation with external neutron source. > A coarse mesh finite difference method for the adjoint flux and reactivity calculation was developed. > 1/M curve to predict the criticality condition is used. - Abstract: We used the neutron diffusion hybrid equation, in cartesian geometry with external neutron sources to predict the subcritical multiplication of neutrons in a pressurized water reactor, using a 1/M curve to predict the criticality condition. A Coarse Mesh Finite Difference Method was developed for the adjoint flux calculation and to obtain the reactivity values of the reactor. The results obtained were compared with benchmark values in order to validate the methodology presented in this paper.

  17. Prediction of the neutrons subcritical multiplication using the diffusion hybrid equation with external neutron sources

    International Nuclear Information System (INIS)

    Costa da Silva, Adilson; Carvalho da Silva, Fernando; Senra Martinez, Aquilino

    2011-01-01

    Highlights: → We proposed a new neutron diffusion hybrid equation with external neutron source. → A coarse mesh finite difference method for the adjoint flux and reactivity calculation was developed. → 1/M curve to predict the criticality condition is used. - Abstract: We used the neutron diffusion hybrid equation, in cartesian geometry with external neutron sources to predict the subcritical multiplication of neutrons in a pressurized water reactor, using a 1/M curve to predict the criticality condition. A Coarse Mesh Finite Difference Method was developed for the adjoint flux calculation and to obtain the reactivity values of the reactor. The results obtained were compared with benchmark values in order to validate the methodology presented in this paper.

  18. 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 )

  19. Numerical simulation of diffuse double layer around microporous electrodes based on the Poisson–Boltzmann equation

    International Nuclear Information System (INIS)

    Kitazumi, Yuki; Shirai, Osamu; Yamamoto, Masahiro; Kano, Kenji

    2013-01-01

    Graphical abstract: - Highlights: • Diffuse double layers overlap with each other in the micropore. • The overlapping of the diffuse double layer affects the double layer capacitance. • The electric field becomes weak in the micropore. • The electroneutrality is unsatisfactory in the micropore. - Abstract: The structure of the diffuse double layer around a nm-sized micropore on porous electrodes has been studied by numerical simulation using the Poisson–Boltzmann equation. The double layer capacitance of the microporous electrode strongly depends on the electrode potential, the electrolyte concentration, and the size of the micropore. The potential and the electrolyte concentration dependence of the capacitance is different from that of the planner electrode based on the Gouy's theory. The overlapping of the diffuse double layer becomes conspicuous in the micropore. The overlapped diffuse double layer provides the mild electric field. The intensified electric field exists at the rim of the orifice of the micropore because of the expansion of the diffuse double layers. The characteristic features of microporous electrodes are caused by the heterogeneity of the electric field around the micropores

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

    Science.gov (United States)

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

    2014-11-01

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

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

    Directory of Open Access Journals (Sweden)

    Carson Ingo

    2014-11-01

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

  2. Hybrid approaches for multiple-species stochastic reaction-diffusion models

    Science.gov (United States)

    Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K.; Byrne, Helen

    2015-10-01

    Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction-diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model.

  3. Hybrid approaches for multiple-species stochastic reaction-diffusion models.

    KAUST Repository

    Spill, Fabian

    2015-10-01

    Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction-diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model.

  4. Hybrid approaches for multiple-species stochastic reaction-diffusion models.

    KAUST Repository

    Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K; Byrne, Helen

    2015-01-01

    Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction-diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model.

  5. A Finite Element Versus Analytical Approach to the Solution of the Current Diffusion Equation in Tokamaks

    Czech Academy of Sciences Publication Activity Database

    Šesnic, S.; Dorić, V.; Poljak, D.; Šušnjara, A.; Artaud, J.F.

    2018-01-01

    Roč. 46, č. 4 (2018), s. 1027-1034 ISSN 0093-3813 R&D Projects: GA MŠk(CZ) 8D15001 Institutional support: RVO:61389021 Keywords : Finite element analysis * Tokamaks * current diffusion equation (CDE) * finite-element method (FEM) Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 1.052, year: 2016

  6. Correction of the calculation of beam loading based in the RF power diffusion equation

    International Nuclear Information System (INIS)

    Silva, R. da.

    1980-01-01

    It is described an empirical correction based upon experimental datas of others authors in ORELA, GELINA and SLAC accelerators, to the calculation of the energy loss due to the beam loading effect as stated by the RF power diffusion equation theory an accelerating structure. It is obtained a dependence of this correction with the electron pulse full width half maximum, but independent of the electron energy. (author) [pt

  7. Solutions to Time-Fractional Diffusion-Wave Equation in Cylindrical Coordinates

    Directory of Open Access Journals (Sweden)

    Povstenko YZ

    2011-01-01

    Full Text Available Nonaxisymmetric solutions to time-fractional diffusion-wave equation with a source term in cylindrical coordinates are obtained for an infinite medium. The solutions are found using the Laplace transform with respect to time , the Hankel transform with respect to the radial coordinate , the finite Fourier transform with respect to the angular coordinate , and the exponential Fourier transform with respect to the spatial coordinate . Numerical results are illustrated graphically.

  8. Moving-boundary problems for the time-fractional diffusion equation

    Directory of Open Access Journals (Sweden)

    Sabrina D. Roscani

    2017-02-01

    Full Text Available We consider a one-dimensional moving-boundary problem for the time-fractional diffusion equation. The time-fractional derivative of order $\\alpha\\in (0,1$ is taken in the sense of Caputo. We study the asymptotic behaivor, as t tends to infinity, of a general solution by using a fractional weak maximum principle. Also, we give some particular exact solutions in terms of Wright functions.

  9. A numerical solution for a class of time fractional diffusion equations with delay

    Directory of Open Access Journals (Sweden)

    Pimenov Vladimir G.

    2017-09-01

    Full Text Available This paper describes a numerical scheme for a class of fractional diffusion equations with fixed time delay. The study focuses on the uniqueness, convergence and stability of the resulting numerical solution by means of the discrete energy method. The derivation of a linearized difference scheme with convergence order O(τ2−α+ h4 in L∞-norm is the main purpose of this study. Numerical experiments are carried out to support the obtained theoretical results.

  10. Homotopy decomposition method for solving one-dimensional time-fractional diffusion equation

    Science.gov (United States)

    Abuasad, Salah; Hashim, Ishak

    2018-04-01

    In this paper, we present the homotopy decomposition method with a modified definition of beta fractional derivative for the first time to find exact solution of one-dimensional time-fractional diffusion equation. In this method, the solution takes the form of a convergent series with easily computable terms. The exact solution obtained by the proposed method is compared with the exact solution obtained by using fractional variational homotopy perturbation iteration method via a modified Riemann-Liouville derivative.

  11. Assessment of Effective Factor of Hydrogen Diffusion Equation Using FE Analysis

    International Nuclear Information System (INIS)

    Kim, Nak Hyun; Oh, Chang Sik; Kim, Yun Jae

    2010-01-01

    The coupled model with hydrogen transport and elasto-plasticity behavior was introduced. In this paper, the effective factor of the hydrogen diffusion equation has been described. To assess the effective factor, finite element (FE) analyses including hydrogen transport and mechanical loading for boundary layer specimens with low-strength steel properties are carried out. The results of the FE analyses are compared with those from previous studies conducted by Taha and Sofronis (2001)

  12. Solutions to aggregation-diffusion equations with nonlinear mobility constructed via a deterministic particle approximation

    OpenAIRE

    Fagioli, Simone; Radici, Emanuela

    2018-01-01

    We investigate the existence of weak type solutions for a class of aggregation-diffusion PDEs with nonlinear mobility obtained as large particle limit of a suitable nonlocal version of the follow-the-leader scheme, which is interpreted as the discrete Lagrangian approximation of the target continuity equation. We restrict the analysis to nonnegative initial data in $L^{\\infty} \\cap BV$ away from vacuum and supported in a closed interval with zero-velocity boundary conditions. The main novelti...

  13. The Galerkin Finite Element Method for A Multi-term Time-Fractional Diffusion equation

    OpenAIRE

    Jin, Bangti; Lazarov, Raytcho; Liu, Yikan; Zhou, Zhi

    2014-01-01

    We consider the initial/boundary value problem for a diffusion equation involving multiple time-fractional derivatives on a bounded convex polyhedral domain. We analyze a space semidiscrete scheme based on the standard Galerkin finite element method using continuous piecewise linear functions. Nearly optimal error estimates for both cases of initial data and inhomogeneous term are derived, which cover both smooth and nonsmooth data. Further we develop a fully discrete scheme based on a finite...

  14. Pseudospectral operational matrix for numerical solution of single and multiterm time fractional diffusion equation

    OpenAIRE

    GHOLAMI, SAEID; BABOLIAN, ESMAIL; JAVIDI, MOHAMMAD

    2016-01-01

    This paper presents a new numerical approach to solve single and multiterm time fractional diffusion equations. In this work, the space dimension is discretized to the Gauss$-$Lobatto points. We use the normalized Grunwald approximation for the time dimension and a pseudospectral successive integration matrix for the space dimension. This approach shows that with fewer numbers of points, we can approximate the solution with more accuracy. Some examples with numerical results in tables and fig...

  15. Diffusion with space memory modelled with distributed order space fractional differential equations

    Directory of Open Access Journals (Sweden)

    M. Caputo

    2003-06-01

    Full Text Available Distributed order fractional differential equations (Caputo, 1995, 2001; Bagley and Torvik, 2000a,b were fi rst used in the time domain; they are here considered in the space domain and introduced in the constitutive equation of diffusion. The solution of the classic problems are obtained, with closed form formulae. In general, the Green functions act as low pass fi lters in the frequency domain. The major difference with the case when a single space fractional derivative is present in the constitutive equations of diffusion (Caputo and Plastino, 2002 is that the solutions found here are potentially more fl exible to represent more complex media (Caputo, 2001a. The difference between the space memory medium and that with the time memory is that the former is more fl exible to represent local phenomena while the latter is more fl exible to represent variations in space. Concerning the boundary value problem, the difference with the solution of the classic diffusion medium, in the case when a constant boundary pressure is assigned and in the medium the pressure is initially nil, is that one also needs to assign the fi rst order space derivative at the boundary.

  16. Simulation of a parallel processor on a serial processor: The neutron diffusion equation

    International Nuclear Information System (INIS)

    Honeck, H.C.

    1981-01-01

    Parallel processors could provide the nuclear industry with very high computing power at a very moderate cost. Will we be able to make effective use of this power. This paper explores the use of a very simple parallel processor for solving the neutron diffusion equation to predict power distributions in a nuclear reactor. We first describe a simple parallel processor and estimate its theoretical performance based on the current hardware technology. Next, we show how the parallel processor could be used to solve the neutron diffusion equation. We then present the results of some simulations of a parallel processor run on a serial processor and measure some of the expected inefficiencies. Finally we extrapolate the results to estimate how actual design codes would perform. We find that the standard numerical methods for solving the neutron diffusion equation are still applicable when used on a parallel processor. However, some simple modifications to these methods will be necessary if we are to achieve the full power of these new computers. (orig.) [de

  17. Analytical approximate solutions of the time-domain diffusion equation in layered slabs.

    Science.gov (United States)

    Martelli, Fabrizio; Sassaroli, Angelo; Yamada, Yukio; Zaccanti, Giovanni

    2002-01-01

    Time-domain analytical solutions of the diffusion equation for photon migration through highly scattering two- and three-layered slabs have been obtained. The effect of the refractive-index mismatch with the external medium is taken into account, and approximate boundary conditions at the interface between the diffusive layers have been considered. A Monte Carlo code for photon migration through a layered slab has also been developed. Comparisons with the results of Monte Carlo simulations showed that the analytical solutions correctly describe the mean path length followed by photons inside each diffusive layer and the shape of the temporal profile of received photons, while discrepancies are observed for the continuous-wave reflectance or transmittance.

  18. On Medium Chemical Reaction in Diffusion-Based Molecular Communication: a Two-Way Relaying Example

    OpenAIRE

    Farahnak-Ghazani, Maryam; Aminian, Gholamali; Mirmohseni, Mahtab; Gohari, Amin; Nasiri-Kenari, Masoumeh

    2016-01-01

    Chemical reactions are a prominent feature of molecular communication (MC) systems, with no direct parallels in wireless communications. While chemical reactions may be used inside the transmitter nodes, receiver nodes or the communication medium, we focus on its utility in the medium in this paper. Such chemical reactions can be used to perform computation over the medium as molecules diffuse and react with each other (physical-layer computation). We propose the use of chemical reactions for...

  19. Solutes and cells - aspects of advection-diffusion-reaction phenomena in biochips

    DEFF Research Database (Denmark)

    Vedel, Søren

    2012-01-01

    the dependencies on density. This shows that the varied single-cell behavior including the overall modulations imposed by density arise as a natural consequence of pseudopod-driven motility in a social context. The final subproject concerns the combined effects of advection, diffusion and reaction of several......Cell’), and the overall title of the project is Solutes and cells — aspects of advection-diffusion-reaction phenomena in biochips. The work has consisted of several projects focusing on theory, and to some extend analysis of experimental data, with advection-diffusion-reaction phenomena of solutes as the recurring theme...... quantitatively interpret the proximal concentration of specific solutes, and integrate this to achieve biological functions. In three specific examples, the author and co-workers have investigated different aspects of the influence of advection, diffusion and reaction on solute distributions, as well...

  20. A finite difference method for space fractional differential equations with variable diffusivity coefficient

    KAUST Repository

    Mustapha, K.

    2017-06-03

    Anomalous diffusion is a phenomenon that cannot be modeled accurately by second-order diffusion equations, but is better described by fractional diffusion models. The nonlocal nature of the fractional diffusion operators makes substantially more difficult the mathematical analysis of these models and the establishment of suitable numerical schemes. This paper proposes and analyzes the first finite difference method for solving {\\\\em variable-coefficient} fractional differential equations, with two-sided fractional derivatives, in one-dimensional space. The proposed scheme combines first-order forward and backward Euler methods for approximating the left-sided fractional derivative when the right-sided fractional derivative is approximated by two consecutive applications of the first-order backward Euler method. Our finite difference scheme reduces to the standard second-order central difference scheme in the absence of fractional derivatives. The existence and uniqueness of the solution for the proposed scheme are proved, and truncation errors of order $h$ are demonstrated, where $h$ denotes the maximum space step size. The numerical tests illustrate the global $O(h)$ accuracy of our scheme, except for nonsmooth cases which, as expected, have deteriorated convergence rates.

  1. The analytical solution to the 1D diffusion equation in heterogeneous media

    International Nuclear Information System (INIS)

    Ganapol, B.D.; Nigg, D.W.

    2011-01-01

    The analytical solution to the time-independent multigroup diffusion equation in heterogeneous plane cylindrical and spherical media is presented. The solution features the simplicity of the one-group formulation while addressing the complication of multigroup diffusion in a fully heterogeneous medium. Beginning with the vector form of the diffusion equation, the approach, based on straightforward mathematics, resolves a set of coupled second order ODEs. The analytical form is facilitated through matrix diagonalization of the neutron interaction matrix rendering the multigroup solution as a series of one-group solutions which, when re-assembled, gives the analytical solution. Customized Eigenmode solutions of the one-group diffusion operator then represent the homogeneous solution in a uniform spatial domain. Once the homogeneous solution is known, the particular solution naturally emerges through variation of parameters. The analytical expression is then numerically implemented through recurrence. Finally, we apply the theory to assess the accuracy of a second order finite difference scheme and to a 1D slab BWR reactor in the four-group approximation. (author)

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

    Science.gov (United States)

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

    2017-09-01

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

  3. A finite difference method for space fractional differential equations with variable diffusivity coefficient

    KAUST Repository

    Mustapha, K.; Furati, K.; Knio, Omar; Maitre, O. Le

    2017-01-01

    Anomalous diffusion is a phenomenon that cannot be modeled accurately by second-order diffusion equations, but is better described by fractional diffusion models. The nonlocal nature of the fractional diffusion operators makes substantially more difficult the mathematical analysis of these models and the establishment of suitable numerical schemes. This paper proposes and analyzes the first finite difference method for solving {\\em variable-coefficient} fractional differential equations, with two-sided fractional derivatives, in one-dimensional space. The proposed scheme combines first-order forward and backward Euler methods for approximating the left-sided fractional derivative when the right-sided fractional derivative is approximated by two consecutive applications of the first-order backward Euler method. Our finite difference scheme reduces to the standard second-order central difference scheme in the absence of fractional derivatives. The existence and uniqueness of the solution for the proposed scheme are proved, and truncation errors of order $h$ are demonstrated, where $h$ denotes the maximum space step size. The numerical tests illustrate the global $O(h)$ accuracy of our scheme, except for nonsmooth cases which, as expected, have deteriorated convergence rates.

  4. Generalization of the Nernst-Einstein equation for self-diffusion in high-defect-concentration solids

    International Nuclear Information System (INIS)

    McKee, R.A.

    1981-01-01

    It is shown that the Nernst-Einstein equation can be generalized for a high defect concentration solid to relate the mobility or conductivity to the self-diffusion coefficient. This relationship is derived assuming that the diffusing particles interact strongly and that the mobility is concentration-dependent. It is derived for interstitial disordered structures, but it is perfectly general to any mechanism of self diffusion as long as diffusion in a pure system is considered

  5. On the Green's function of the partially diffusion-controlled reversible ABCD reaction for radiation chemistry codes

    International Nuclear Information System (INIS)

    Plante, Ianik; Devroye, Luc

    2015-01-01

    Several computer codes simulating chemical reactions in particles systems are based on the Green's functions of the diffusion equation (GFDE). Indeed, many types of chemical systems have been simulated using the exact GFDE, which has also become the gold standard for validating other theoretical models. In this work, a simulation algorithm is presented to sample the interparticle distance for partially diffusion-controlled reversible ABCD reaction. This algorithm is considered exact for 2-particles systems, is faster than conventional look-up tables and uses only a few kilobytes of memory. The simulation results obtained with this method are compared with those obtained with the independent reaction times (IRT) method. This work is part of our effort in developing models to understand the role of chemical reactions in the radiation effects on cells and tissues and may eventually be included in event-based models of space radiation risks. However, as many reactions are of this type in biological systems, this algorithm might play a pivotal role in future simulation programs not only in radiation chemistry, but also in the simulation of biochemical networks in time and space as well

  6. On the Green's function of the partially diffusion-controlled reversible ABCD reaction for radiation chemistry codes

    Energy Technology Data Exchange (ETDEWEB)

    Plante, Ianik, E-mail: ianik.plante-1@nasa.gov [Wyle Science, Technology & Engineering, 1290 Hercules, Houston, TX 77058 (United States); Devroye, Luc, E-mail: lucdevroye@gmail.com [School of Computer Science, McGill University, 3480 University Street, Montreal H3A 0E9 (Canada)

    2015-09-15

    Several computer codes simulating chemical reactions in particles systems are based on the Green's functions of the diffusion equation (GFDE). Indeed, many types of chemical systems have been simulated using the exact GFDE, which has also become the gold standard for validating other theoretical models. In this work, a simulation algorithm is presented to sample the interparticle distance for partially diffusion-controlled reversible ABCD reaction. This algorithm is considered exact for 2-particles systems, is faster than conventional look-up tables and uses only a few kilobytes of memory. The simulation results obtained with this method are compared with those obtained with the independent reaction times (IRT) method. This work is part of our effort in developing models to understand the role of chemical reactions in the radiation effects on cells and tissues and may eventually be included in event-based models of space radiation risks. However, as many reactions are of this type in biological systems, this algorithm might play a pivotal role in future simulation programs not only in radiation chemistry, but also in the simulation of biochemical networks in time and space as well.

  7. Global exponential stability of reaction-diffusion recurrent neural networks with time-varying delays

    International Nuclear Information System (INIS)

    Liang Jinling; Cao Jinde

    2003-01-01

    Employing general Halanay inequality, we analyze the global exponential stability of a class of reaction-diffusion recurrent neural networks with time-varying delays. Several new sufficient conditions are obtained to ensure existence, uniqueness and global exponential stability of the equilibrium point of delayed reaction-diffusion recurrent neural networks. The results extend and improve the earlier publications. In addition, an example is given to show the effectiveness of the obtained result

  8. A minimally-resolved immersed boundary model for reaction-diffusion problems

    OpenAIRE

    Pal Singh Bhalla, A; Griffith, BE; Patankar, NA; Donev, A

    2013-01-01

    We develop an immersed boundary approach to modeling reaction-diffusion processes in dispersions of reactive spherical particles, from the diffusion-limited to the reaction-limited setting. We represent each reactive particle with a minimally-resolved "blob" using many fewer degrees of freedom per particle than standard discretization approaches. More complicated or more highly resolved particle shapes can be built out of a collection of reactive blobs. We demonstrate numerically that the blo...

  9. Direct method of solving finite difference nonlinear equations for multicomponent diffusion in a gas centrifuge

    International Nuclear Information System (INIS)

    Potemki, Valeri G.; Borisevich, Valentine D.; Yupatov, Sergei V.

    1996-01-01

    This paper describes the the next evolution step in development of the direct method for solving systems of Nonlinear Algebraic Equations (SNAE). These equations arise from the finite difference approximation of original nonlinear partial differential equations (PDE). This method has been extended on the SNAE with three variables. The solving SNAE bases on Reiterating General Singular Value Decomposition of rectangular matrix pencils (RGSVD-algorithm). In contrast to the computer algebra algorithm in integer arithmetic based on the reduction to the Groebner's basis that algorithm is working in floating point arithmetic and realizes the reduction to the Kronecker's form. The possibilities of the method are illustrated on the example of solving the one-dimensional diffusion equation for 3-component model isotope mixture in a ga centrifuge. The implicit scheme for the finite difference equations without simplifying the nonlinear properties of the original equations is realized. The technique offered provides convergence to the solution for the single run. The Toolbox SNAE is developed in the framework of the high performance numeric computation and visualization software MATLAB. It includes more than 30 modules in MATLAB language for solving SNAE with two and three variables. (author)

  10. Higher-order Solution of Stochastic Diffusion equation with Nonlinear Losses Using WHEP technique

    KAUST Repository

    El-Beltagy, Mohamed A.; Al-Mulla, Noah

    2014-01-01

    Using Wiener-Hermite expansion with perturbation (WHEP) technique in the solution of the stochastic partial differential equations (SPDEs) has the advantage of converting the problem to a system of deterministic equations that can be solved efficiently using the standard deterministic numerical methods [1]. The Wiener-Hermite expansion is the only known expansion that handles the white/colored noise exactly. The main statistics, such as the mean, covariance, and higher order statistical moments, can be calculated by simple formulae involving only the deterministic Wiener-Hermite coefficients. In this poster, the WHEP technique is used to solve the 2D diffusion equation with nonlinear losses and excited with white noise. The solution will be obtained numerically and will be validated and compared with the analytical solution that can be obtained from any symbolic mathematics package such as Mathematica.

  11. Asymptotic Behavior for a Nonlocal Diffusion Equation in Domains with Holes

    Science.gov (United States)

    Cortázar, Carmen; Elgueta, Manuel; Quirós, Fernando; Wolanski, Noemí

    2012-08-01

    The paper deals with the asymptotic behavior of solutions to a non-local diffusion equation, u t = J* u- u := Lu, in an exterior domain, Ω, which excludes one or several holes, and with zero Dirichlet data on {R^NsetminusΩ} . When the space dimension is three or more this behavior is given by a multiple of the fundamental solution of the heat equation away from the holes. On the other hand, if the solution is scaled according to its decay factor, close to the holes it behaves like a function that is L-harmonic, Lu = 0, in the exterior domain and vanishes in its complement. The height of such a function at infinity is determined through a matching procedure with the multiple of the fundamental solution of the heat equation representing the outer behavior. The inner and the outer behaviors can be presented in a unified way through a suitable global approximation.

  12. Milstein Approximation for Advection-Diffusion Equations Driven by Multiplicative Noncontinuous Martingale Noises

    International Nuclear Information System (INIS)

    Barth, Andrea; Lang, Annika

    2012-01-01

    In this paper, the strong approximation of a stochastic partial differential equation, whose differential operator is of advection-diffusion type and which is driven by a multiplicative, infinite dimensional, càdlàg, square integrable martingale, is presented. A finite dimensional projection of the infinite dimensional equation, for example a Galerkin projection, with nonequidistant time stepping is used. Error estimates for the discretized equation are derived in L 2 and almost sure senses. Besides space and time discretizations, noise approximations are also provided, where the Milstein double stochastic integral is approximated in such a way that the overall complexity is not increased compared to an Euler–Maruyama approximation. Finally, simulations complete the paper.

  13. Higher-order Solution of Stochastic Diffusion equation with Nonlinear Losses Using WHEP technique

    KAUST Repository

    El-Beltagy, Mohamed A.

    2014-01-06

    Using Wiener-Hermite expansion with perturbation (WHEP) technique in the solution of the stochastic partial differential equations (SPDEs) has the advantage of converting the problem to a system of deterministic equations that can be solved efficiently using the standard deterministic numerical methods [1]. The Wiener-Hermite expansion is the only known expansion that handles the white/colored noise exactly. The main statistics, such as the mean, covariance, and higher order statistical moments, can be calculated by simple formulae involving only the deterministic Wiener-Hermite coefficients. In this poster, the WHEP technique is used to solve the 2D diffusion equation with nonlinear losses and excited with white noise. The solution will be obtained numerically and will be validated and compared with the analytical solution that can be obtained from any symbolic mathematics package such as Mathematica.

  14. Coarse-mesh discretized low-order quasi-diffusion equations for subregion averaged scalar fluxes

    International Nuclear Information System (INIS)

    Anistratov, D. Y.

    2004-01-01

    In this paper we develop homogenization procedure and discretization for the low-order quasi-diffusion equations on coarse grids for core-level reactor calculations. The system of discretized equations of the proposed method is formulated in terms of the subregion averaged group scalar fluxes. The coarse-mesh solution is consistent with a given fine-mesh discretization of the transport equation in the sense that it preserves a set of average values of the fine-mesh transport scalar flux over subregions of coarse-mesh cells as well as the surface currents, and eigenvalue. The developed method generates numerical solution that mimics the large-scale behavior of the transport solution within assemblies. (authors)

  15. On the exact solution for the multi-group kinetic neutron diffusion equation in a rectangle

    International Nuclear Information System (INIS)

    Petersen, C.Z.; Vilhena, M.T.M.B. de; Bodmann, B.E.J.

    2011-01-01

    In this work we consider the two-group bi-dimensional kinetic neutron diffusion equation. The solution procedure formalism is general with respect to the number of energy groups, neutron precursor families and regions with different chemical compositions. The fast and thermal flux and the delayed neutron precursor yields are expanded in a truncated double series in terms of eigenfunctions that, upon insertion into the kinetic equation and upon taking moments, results in a first order linear differential matrix equation with source terms. We split the matrix appearing in the transformed problem into a sum of a diagonal matrix plus the matrix containing the remaining terms and recast the transformed problem into a form that can be solved in the spirit of Adomian's recursive decomposition formalism. Convergence of the solution is guaranteed by the Cardinal Interpolation Theorem. We give numerical simulations and comparisons with available results in the literature. (author)

  16. Stability Analysis of a Reaction-Diffusion System Modeling Atherogenesis

    KAUST Repository

    Ibragimov, Akif; Ritter, Laura; Walton, Jay R.

    2010-01-01

    This paper presents a linear, asymptotic stability analysis for a reaction-diffusionconvection system modeling atherogenesis, the initiation of atherosclerosis, as an inflammatory instability. Motivated by the disease paradigm articulated by Ross

  17. On the analytical solutions of the system of conformable time-fractional Robertson equations with 1-D diffusion

    International Nuclear Information System (INIS)

    Iyiola, O.S.; Tasbozan, O.; Kurt, A.; Çenesiz, Y.

    2017-01-01

    In this paper, we consider the system of conformable time-fractional Robertson equations with one-dimensional diffusion having widely varying diffusion coefficients. Due to the mismatched nature of the initial and boundary conditions associated with Robertson equation, there are spurious oscillations appearing in many computational algorithms. Our goal is to obtain an approximate solutions of this system of equations using the q-homotopy analysis method (q-HAM) and examine the widely varying diffusion coefficients and the fractional order of the derivative.

  18. DIFFUSION - WRS system module number 7539 for solving a set of multigroup diffusion equations in one dimension

    International Nuclear Information System (INIS)

    Grimstone, M.J.

    1978-06-01

    The WRS Modular Programming System has been developed as a means by which programmes may be more efficiently constructed, maintained and modified. In this system a module is a self-contained unit typically composed of one or more Fortran routines, and a programme is constructed from a number of such modules. This report describes one WRS module, the function of which is to solve a set of multigroup diffusion equations for a system represented in one-dimensional plane, cylindrical or spherical geometry. The information given in this manual is of use both to the programmer wishing to incorporate the module in a programme, and to the user of such a programme. (author)

  19. Computation of effectiveness factor for a reaction-diffusion process ...

    African Journals Online (AJOL)

    An isothermal and steady state continuity equation for a key component in a catalyst particle was developed and applied to lactose hydrolysis in a fixed bed reactor containing an immobilized enzyme of β-galactosidase on spherical chitosan beads, where lactose (substrate) was taken as the key component. The differential ...

  20. Accurate numerical simulation of reaction-diffusion processes for heavy oil recovery

    Energy Technology Data Exchange (ETDEWEB)

    Govind, P.A.; Srinivasan, S. [Society of Petroleum Engineers, Richardson, TX (United States)]|[Texas Univ., Austin, TX (United States)

    2008-10-15

    This study evaluated a reaction-diffusion simulation tool designed to analyze the displacement of carbon dioxide (CO{sub 2}) in a simultaneous injection of carbon dioxide and elemental sodium in a heavy oil reservoir. Sodium was used due to the exothermic reaction of sodium with in situ that occurs when heat is used to reduce oil viscosity. The process also results in the formation of sodium hydroxide that reduces interfacial tension at the bitumen interface. A commercial simulation tool was used to model the sodium transport mechanism to the reaction interface through diffusion as well as the reaction zone's subsequent displacement. The aim of the study was to verify if the in situ reaction was able to generate sufficient heat to reduce oil viscosity and improve the displacement of the heavy oil. The study also assessed the accuracy of the reaction front simulation tool, in which an alternate method was used to model the propagation front as a moving heat source. The sensitivity of the simulation results were then evaluated in relation to the diffusion coefficient in order to understand the scaling characteristics of the reaction-diffusion zone. A pore-scale simulation was then up-scaled to grid blocks. Results of the study showed that when sodium suspended in liquid CO{sub 2} is injected into reservoirs, it diffuses through the carrier phase and interacts with water. A random walk diffusion algorithm with reactive dissipation was implemented to more accurately characterize reaction and diffusion processes. It was concluded that the algorithm modelled physical dispersion while neglecting the effect of numerical dispersion. 10 refs., 3 tabs., 24 figs.

  1. Comparisons of hybrid radiosity-diffusion model and diffusion equation for bioluminescence tomography in cavity cancer detection

    Science.gov (United States)

    Chen, Xueli; Yang, Defu; Qu, Xiaochao; Hu, Hao; Liang, Jimin; Gao, Xinbo; Tian, Jie

    2012-06-01

    Bioluminescence tomography (BLT) has been successfully applied to the detection and therapeutic evaluation of solid cancers. However, the existing BLT reconstruction algorithms are not accurate enough for cavity cancer detection because of neglecting the void problem. Motivated by the ability of the hybrid radiosity-diffusion model (HRDM) in describing the light propagation in cavity organs, an HRDM-based BLT reconstruction algorithm was provided for the specific problem of cavity cancer detection. HRDM has been applied to optical tomography but is limited to simple and regular geometries because of the complexity in coupling the boundary between the scattering and void region. In the provided algorithm, HRDM was first applied to three-dimensional complicated and irregular geometries and then employed as the forward light transport model to describe the bioluminescent light propagation in tissues. Combining HRDM with the sparse reconstruction strategy, the cavity cancer cells labeled with bioluminescent probes can be more accurately reconstructed. Compared with the diffusion equation based reconstruction algorithm, the essentiality and superiority of the HRDM-based algorithm were demonstrated with simulation, phantom and animal studies. An in vivo gastric cancer-bearing nude mouse experiment was conducted, whose results revealed the ability and feasibility of the HRDM-based algorithm in the biomedical application of gastric cancer detection.

  2. Concentration fluctuations in non-isothermal reaction-diffusion systems. II. The nonlinear case

    NARCIS (Netherlands)

    Bedeaux, D.; Ortiz de Zárate, J.M.; Pagonabarraga, I.; Sengers, J.V.; Kjelstrup, S.

    2011-01-01

    In this paper, we consider a simple reaction-diffusion system, namely, a binary fluid mixture with an association-dissociation reaction between two species. We study fluctuations at hydrodynamic spatiotemporal scales when this mixture is driven out of equilibrium by the presence of a temperature

  3. The entropy dissipation method for spatially inhomogeneous reaction-diffusion-type systems

    KAUST Repository

    Di Francesco, M.; Fellner, K.; Markowich, P. A

    2008-01-01

    and reaction terms and admit fewer conservation laws than the size of the system. In particular, we successfully apply the entropy approach to general linear systems and to a nonlinear example of a reaction-diffusion-convection system arising in solid

  4. An adaptive algorithm for simulation of stochastic reaction-diffusion processes

    International Nuclear Information System (INIS)

    Ferm, Lars; Hellander, Andreas; Loetstedt, Per

    2010-01-01

    We propose an adaptive hybrid method suitable for stochastic simulation of diffusion dominated reaction-diffusion processes. For such systems, simulation of the diffusion requires the predominant part of the computing time. In order to reduce the computational work, the diffusion in parts of the domain is treated macroscopically, in other parts with the tau-leap method and in the remaining parts with Gillespie's stochastic simulation algorithm (SSA) as implemented in the next subvolume method (NSM). The chemical reactions are handled by SSA everywhere in the computational domain. A trajectory of the process is advanced in time by an operator splitting technique and the timesteps are chosen adaptively. The spatial adaptation is based on estimates of the errors in the tau-leap method and the macroscopic diffusion. The accuracy and efficiency of the method are demonstrated in examples from molecular biology where the domain is discretized by unstructured meshes.

  5. Solid state reaction studies in Fe{sub 3}O{sub 4}–TiO{sub 2} system by diffusion couple method

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Zhongshan [State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China); School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Hu, Xiaojun, E-mail: huxiaojun@ustb.edu.cn [State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China); School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Xue, Xiangxin [School of Materials and Metallurgy, Northeastern University, Shenyang 110006 (China); Chou, Kuochih [State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China); School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China)

    2013-12-15

    Highlights: •The solid state reactions of Fe2O3-TiO2 system was studied by the diffusion couple method. •Different products were formed by diffusion, and the FeTiO3 was more stable phase. •The inter-diffusion coefficients and diffusion activation energy were estimated. -- Abstract: The solid state reactions in Fe{sub 3}O{sub 4}–TiO{sub 2} system has been studied by diffusion couple experiments at 1323–1473 K, in which the oxygen partial pressure was controlled by the CO–CO{sub 2} gas mixture. The XRD analysis was used to confirm the phases of the inter-compound, and the concentration profiles were determined by electron probe microanalysis (EPMA). Based on the concentration profile of Ti, the inter-diffusion coefficients in Fe{sub 3}O{sub 4} phase, which were both temperature and concentration of Ti ions dependent, were calculated by the modified Boltzmann–Matano method. According to the relation between the thickness of diffusion layer and temperature, the diffusion coefficient of the Fe{sub 3}O{sub 4}–TiO{sub 2} system was obtained. According to the Arrhenius equation, the estimated diffusion activation energy was about 282.1 ± 18.8 kJ mol{sup −1}.

  6. Waste dissolution with chemical reaction, diffusion and advection

    International Nuclear Information System (INIS)

    Chambre, P.L.; Kang, C.H.; Lee, W.W.L.; Pigford, T.H.

    1987-06-01

    This paper extends the mass-transfer analysis to include the effect of advective transport in predicting the steady-state dissolution rate, with a chemical-reaction-rate boundary condition at the surface of a waste form of arbitrary shape. This new theory provides an analytic means of predicting the ground-water velocities at which dissolution rate in a geologic environment will be governed entirely to the chemical reaction rate. As an illustration, we consider the steady-state potential flow of ground water in porous rock surrounding a spherical waste solid. 3 refs., 2 figs

  7. Hybrid simplified spherical harmonics with diffusion equation for light propagation in tissues

    International Nuclear Information System (INIS)

    Chen, Xueli; Sun, Fangfang; Yang, Defu; Ren, Shenghan; Liang, Jimin; Zhang, Qian

    2015-01-01

    Aiming at the limitations of the simplified spherical harmonics approximation (SP N ) and diffusion equation (DE) in describing the light propagation in tissues, a hybrid simplified spherical harmonics with diffusion equation (HSDE) based diffuse light transport model is proposed. In the HSDE model, the living body is first segmented into several major organs, and then the organs are divided into high scattering tissues and other tissues. DE and SP N are employed to describe the light propagation in these two kinds of tissues respectively, which are finally coupled using the established boundary coupling condition. The HSDE model makes full use of the advantages of SP N and DE, and abandons their disadvantages, so that it can provide a perfect balance between accuracy and computation time. Using the finite element method, the HSDE is solved for light flux density map on body surface. The accuracy and efficiency of the HSDE are validated with both regular geometries and digital mouse model based simulations. Corresponding results reveal that a comparable accuracy and much less computation time are achieved compared with the SP N model as well as a much better accuracy compared with the DE one. (paper)

  8. Development of Multigrid Methods for diffusion, Advection, and the incompressible Navier-Stokes Equations

    Energy Technology Data Exchange (ETDEWEB)

    Gjesdal, Thor

    1997-12-31

    This thesis discusses the development and application of efficient numerical methods for the simulation of fluid flows, in particular the flow of incompressible fluids. The emphasis is on practical aspects of algorithm development and on application of the methods either to linear scalar model equations or to the non-linear incompressible Navier-Stokes equations. The first part deals with cell centred multigrid methods and linear correction scheme and presents papers on (1) generalization of the method to arbitrary sized grids for diffusion problems, (2) low order method for advection-diffusion problems, (3) attempt to extend the basic method to advection-diffusion problems, (4) Fourier smoothing analysis of multicolour relaxation schemes, and (5) analysis of high-order discretizations for advection terms. The second part discusses a multigrid based on pressure correction methods, non-linear full approximation scheme, and papers on (1) systematic comparison of the performance of different pressure correction smoothers and some other algorithmic variants, low to moderate Reynolds numbers, and (2) systematic study of implementation strategies for high order advection schemes, high-Re flow. An appendix contains Fortran 90 data structures for multigrid development. 160 refs., 26 figs., 22 tabs.

  9. Hybrid simplified spherical harmonics with diffusion equation for light propagation in tissues.

    Science.gov (United States)

    Chen, Xueli; Sun, Fangfang; Yang, Defu; Ren, Shenghan; Zhang, Qian; Liang, Jimin

    2015-08-21

    Aiming at the limitations of the simplified spherical harmonics approximation (SPN) and diffusion equation (DE) in describing the light propagation in tissues, a hybrid simplified spherical harmonics with diffusion equation (HSDE) based diffuse light transport model is proposed. In the HSDE model, the living body is first segmented into several major organs, and then the organs are divided into high scattering tissues and other tissues. DE and SPN are employed to describe the light propagation in these two kinds of tissues respectively, which are finally coupled using the established boundary coupling condition. The HSDE model makes full use of the advantages of SPN and DE, and abandons their disadvantages, so that it can provide a perfect balance between accuracy and computation time. Using the finite element method, the HSDE is solved for light flux density map on body surface. The accuracy and efficiency of the HSDE are validated with both regular geometries and digital mouse model based simulations. Corresponding results reveal that a comparable accuracy and much less computation time are achieved compared with the SPN model as well as a much better accuracy compared with the DE one.

  10. A Kronecker product splitting preconditioner for two-dimensional space-fractional diffusion equations

    Science.gov (United States)

    Chen, Hao; Lv, Wen; Zhang, Tongtong

    2018-05-01

    We study preconditioned iterative methods for the linear system arising in the numerical discretization of a two-dimensional space-fractional diffusion equation. Our approach is based on a formulation of the discrete problem that is shown to be the sum of two Kronecker products. By making use of an alternating Kronecker product splitting iteration technique we establish a class of fixed-point iteration methods. Theoretical analysis shows that the new method converges to the unique solution of the linear system. Moreover, the optimal choice of the involved iteration parameters and the corresponding asymptotic convergence rate are computed exactly when the eigenvalues of the system matrix are all real. The basic iteration is accelerated by a Krylov subspace method like GMRES. The corresponding preconditioner is in a form of a Kronecker product structure and requires at each iteration the solution of a set of discrete one-dimensional fractional diffusion equations. We use structure preserving approximations to the discrete one-dimensional fractional diffusion operators in the action of the preconditioning matrix. Numerical examples are presented to illustrate the effectiveness of this approach.

  11. Delay-induced Turing-like waves for one-species reaction-diffusion model on a network

    Science.gov (United States)

    Petit, Julien; Carletti, Timoteo; Asllani, Malbor; Fanelli, Duccio

    2015-09-01

    A one-species time-delay reaction-diffusion system defined on a complex network is studied. Traveling waves are predicted to occur following a symmetry-breaking instability of a homogeneous stationary stable solution, subject to an external nonhomogeneous perturbation. These are generalized Turing-like waves that materialize in a single-species populations dynamics model, as the unexpected byproduct of the imposed delay in the diffusion part. Sufficient conditions for the onset of the instability are mathematically provided by performing a linear stability analysis adapted to time-delayed differential equations. The method here developed exploits the properties of the Lambert W-function. The prediction of the theory are confirmed by direct numerical simulation carried out for a modified version of the classical Fisher model, defined on a Watts-Strogatz network and with the inclusion of the delay.

  12. Analysis of diffusivity of the oscillating reaction components in a microreactor system

    Directory of Open Access Journals (Sweden)

    Martina Šafranko

    2017-01-01

    Full Text Available When performing oscillating reactions, periodical changes in the concentrations of reactants, intermediaries, and products take place. Due to the mentioned periodical changes of the concentrations, the information about the diffusivity of the components included into oscillating reactions is very important for the control of the oscillating reactions. Non-linear dynamics makes oscillating reactions very interesting for analysis in different reactor systems. In this paper, the analysis of diffusivity of the oscillating reaction components was performed in a microreactor, with the aim of identifying the limiting component. The geometry of the microreactor microchannel and a well defined flow profile ensure optimal conditions for the diffusion phenomena analysis, because diffusion profiles in a microreactor depend only on the residence time. In this paper, the analysis of diffusivity of the oscillating reaction components was performed in a microreactor equipped with 2 Y-shape inlets and 2 Y-shape outlets, with active volume of V = 4 μL at different residence times.

  13. Mixed-hybrid finite element method for the transport equation and diffusion approximation of transport problems

    International Nuclear Information System (INIS)

    Cartier, J.

    2006-04-01

    This thesis focuses on mathematical analysis, numerical resolution and modelling of the transport equations. First of all, we deal with numerical approximation of the solution of the transport equations by using a mixed-hybrid scheme. We derive and study a mixed formulation of the transport equation, then we analyse the related variational problem and present the discretization and the main properties of the scheme. We particularly pay attention to the behavior of the scheme and we show its efficiency in the diffusion limit (when the mean free path is small in comparison with the characteristic length of the physical domain). We present academical benchmarks in order to compare our scheme with other methods in many physical configurations and validate our method on analytical test cases. Unstructured and very distorted meshes are used to validate our scheme. The second part of this thesis deals with two transport problems. The first one is devoted to the study of diffusion due to boundary conditions in a transport problem between two plane plates. The second one consists in modelling and simulating radiative transfer phenomenon in case of the industrial context of inertial confinement fusion. (author)

  14. Space-Time Fractional Diffusion-Advection Equation with Caputo Derivative

    Directory of Open Access Journals (Sweden)

    José Francisco Gómez Aguilar

    2014-01-01

    Full Text Available An alternative construction for the space-time fractional diffusion-advection equation for the sedimentation phenomena is presented. The order of the derivative is considered as 0<β, γ≤1 for the space and time domain, respectively. The fractional derivative of Caputo type is considered. In the spatial case we obtain the fractional solution for the underdamped, undamped, and overdamped case. In the temporal case we show that the concentration has amplitude which exhibits an algebraic decay at asymptotically large times and also shows numerical simulations where both derivatives are taken in simultaneous form. In order that the equation preserves the physical units of the system two auxiliary parameters σx and σt are introduced characterizing the existence of fractional space and time components, respectively. A physical relation between these parameters is reported and the solutions in space-time are given in terms of the Mittag-Leffler function depending on the parameters β and γ. The generalization of the fractional diffusion-advection equation in space-time exhibits anomalous behavior.

  15. Effects on nuclear fusion reaction on diffusion and thermal conduction in a magnetoplasma

    International Nuclear Information System (INIS)

    Sakai, Kazuo; Aono, Osamu.

    1976-12-01

    In spite of the well spread belief in the field of irreversible thermodynamics, vectorial phenomena couple thermodynamically with the scalar phenomena. Transport coefficients concerning the diffusion and the thermal conduction across a strong magnetic field are calculated in the presence of the deuteron-triton fusion reaction on the basis of the gas kinetic theory. When the reaction takes place, the diffusion increases and the thermal conduction decreases. Effects of the reaction exceed those of the Coulomb collision as the temperature is high enough. (auth.)

  16. Diffuse charge and Faradaic reactions in porous electrodes

    NARCIS (Netherlands)

    Biesheuvel, P.M.; Yu, F.; Bazant, M.Z.

    2011-01-01

    Porous electrodes instead of flat electrodes are widely used in electrochemical systems to boost storage capacities for ions and electrons, to improve the transport of mass and charge, and to enhance reaction rates. Existing porous electrode theories make a number of simplifying assumptions: (i) The

  17. Systematic homogenization and self-consistent flux and pin power reconstruction for nodal diffusion methods. 1: Diffusion equation-based theory

    International Nuclear Information System (INIS)

    Zhang, H.; Rizwan-uddin; Dorning, J.J.

    1995-01-01

    A diffusion equation-based systematic homogenization theory and a self-consistent dehomogenization theory for fuel assemblies have been developed for use with coarse-mesh nodal diffusion calculations of light water reactors. The theoretical development is based on a multiple-scales asymptotic expansion carried out through second order in a small parameter, the ratio of the average diffusion length to the reactor characteristic dimension. By starting from the neutron diffusion equation for a three-dimensional heterogeneous medium and introducing two spatial scales, the development systematically yields an assembly-homogenized global diffusion equation with self-consistent expressions for the assembly-homogenized diffusion tensor elements and cross sections and assembly-surface-flux discontinuity factors. The rector eigenvalue 1/k eff is shown to be obtained to the second order in the small parameter, and the heterogeneous diffusion theory flux is shown to be obtained to leading order in that parameter. The latter of these two results provides a natural procedure for the reconstruction of the local fluxes and the determination of pin powers, even though homogenized assemblies are used in the global nodal diffusion calculation

  18. Fluorine atom subsurface diffusion and reaction in photoresist

    International Nuclear Information System (INIS)

    Greer, Frank; Fraser, D.; Coburn, J.W.; Graves, David B.

    2003-01-01

    Kinetic studies of fluorine and deuterium atoms interacting with an OiR 897 10i i-line photoresist (PR) are reported. All experiments were conducted at room temperature. Films of this PR were coated on quartz-crystal microbalance (QCM) substrates and exposed to alternating fluxes of these atoms in a high vacuum apparatus. Mass changes of the PR were observed in situ and in real time during the atom beam exposures using the QCM. A molecular-beam sampled differentially pumped quadrupole mass spectrometer (QMS) was used to measure the species desorbing from the PR surface during the F and D atom exposures. During the D atom exposures, hydrogen abstraction and etching of the PR was observed, but no DF formation was detected. However, during the F atom exposures, the major species observed to desorb from the surface was DF, formed from fluorine abstraction of deuterium from the photoresist. No evidence of film etching or fluorine self-abstraction was observed. The film mass increased during F atom exposure, evidently due to the replacement of D by F in the film. The rate of DF formation and mass uptake were both characterized by the same kinetics: An initially rapid step declining exponentially with time (e -t/τ ), followed by a much slower step following inverse square root of time (t -1/2 ) kinetics. The initially rapid step was interpreted as surface abstraction of D by F to form DF, which desorbs, with subsequent F impacting the surface inserted into surface C dangling bonds. The slower step was interpreted as F atoms diffusing into the fluorinated photoresist, forming DF at the boundary of the fluorinated carbon layer. The t -1/2 kinetics of this step are interpreted to indicate that F diffusion through the fluorinated carbon layer is much slower than the rate of F abstraction of D to form DF, or the rate of F insertion into the carbon dangling bonds left behind after DF formation. A diffusion-limited growth model was formulated, and the model parameters are

  19. Traveling wave solutions for reaction-diffusion systems

    DEFF Research Database (Denmark)

    Lin, Zhigui; Pedersen, Michael; Tian, Canrong

    2010-01-01

    This paper is concerned with traveling waves of reaction–diffusion systems. The definition of coupled quasi-upper and quasi-lower solutions is introduced for systems with mixed quasimonotone functions, and the definition of ordered quasi-upper and quasi-lower solutions is also given for systems...... with quasimonotone nondecreasing functions. By the monotone iteration method, it is shown that if the system has a pair of coupled quasi-upper and quasi-lower solutions, then there exists at least a traveling wave solution. Moreover, if the system has a pair of ordered quasi-upper and quasi-lower solutions...

  20. Competitive autocatalytic reactions in chaotic flows with diffusion: Prediction using finite-time Lyapunov exponents

    International Nuclear Information System (INIS)

    Schlick, Conor P.; Umbanhowar, Paul B.; Ottino, Julio M.; Lueptow, Richard M.

    2014-01-01

    We investigate chaotic advection and diffusion in autocatalytic reactions for time-periodic sine flow computationally using a mapping method with operator splitting. We specifically consider three different autocatalytic reaction schemes: a single autocatalytic reaction, competitive autocatalytic reactions, which can provide insight into problems of chiral symmetry breaking and homochirality, and competitive autocatalytic reactions with recycling. In competitive autocatalytic reactions, species B and C both undergo an autocatalytic reaction with species A such that A+B→2B and A+C→2C. Small amounts of initially spatially localized B and C and a large amount of spatially homogeneous A are advected by the velocity field, diffuse, and react until A is completely consumed and only B and C remain. We find that local finite-time Lyapunov exponents (FTLEs) can accurately predict the final average concentrations of B and C after the reaction completes. The species that starts in the region with the larger FTLE has, with high probability, the larger average concentration at the end of the reaction. If B and C start in regions with similar FTLEs, their average concentrations at the end of the reaction will also be similar. When a recycling reaction is added, the system evolves towards a single species state, with the FTLE often being useful in predicting which species fills the entire domain and which is depleted. The FTLE approach is also demonstrated for competitive autocatalytic reactions in journal bearing flow, an experimentally realizable flow that generates chaotic dynamics

  1. Diffusion and reaction within porous packing media: a phenomenological model.

    Science.gov (United States)

    Jones, W L; Dockery, J D; Vogel, C R; Sturman, P J

    1993-04-25

    A phenomenological model has been developed to describe biomass distribution and substrate depletion in porous diatomaceous earth (DE) pellets colonized by Pseudomonas aeruginosa. The essential features of the model are diffusion, attachment and detachment to/from pore walls of the biomass, diffusion of substrate within the pellet, and external mass transfer of both substrate and biomass in the bulk fluid of a packed bed containing the pellets. A bench-scale reactor filled with DE pellets was inoculated with P. aeruginosa and operated in plug flow without recycle using a feed containing glucose as the limiting nutrient. Steady-state effluent glucose concentrations were measured at various residence times, and biomass distribution within the pellet was measured at the lowest residence time. In the model, microorganism/substrate kinetics and mass transfer characteristics were predicted from the literature. Only the attachment and detachment parameters were treated as unknowns, and were determined by fitting biomass distribution data within the pellets to the mathematical model. The rate-limiting step in substrate conversion was determined to be internal mass transfer resistance; external mass transfer resistance and microbial kinetic limitations were found to be nearly negligible. Only the outer 5% of the pellets contributed to substrate conversion.

  2. Strong Maximum Principle for Multi-Term Time-Fractional Diffusion Equations and its Application to an Inverse Source Problem

    OpenAIRE

    Liu, Yikan

    2015-01-01

    In this paper, we establish a strong maximum principle for fractional diffusion equations with multiple Caputo derivatives in time, and investigate a related inverse problem of practical importance. Exploiting the solution properties and the involved multinomial Mittag-Leffler functions, we improve the weak maximum principle for the multi-term time-fractional diffusion equation to a stronger one, which is parallel to that for its single-term counterpart as expected. As a direct application, w...

  3. Analytical solutions of a fractional diffusion-advection equation for solar cosmic-ray transport

    International Nuclear Information System (INIS)

    Litvinenko, Yuri E.; Effenberger, Frederic

    2014-01-01

    Motivated by recent applications of superdiffusive transport models to shock-accelerated particle distributions in the heliosphere, we analytically solve a one-dimensional fractional diffusion-advection equation for the particle density. We derive an exact Fourier transform solution, simplify it in a weak diffusion approximation, and compare the new solution with previously available analytical results and with a semi-numerical solution based on a Fourier series expansion. We apply the results to the problem of describing the transport of energetic particles, accelerated at a traveling heliospheric shock. Our analysis shows that significant errors may result from assuming an infinite initial distance between the shock and the observer. We argue that the shock travel time should be a parameter of a realistic superdiffusive transport model.

  4. Solution of linear and nonlinear matrix systems. Application to a nonlinear diffusion equation

    International Nuclear Information System (INIS)

    Bonnet, M.; Meurant, G.

    1978-01-01

    Different methods of solution of linear and nonlinear algebraic systems are applied to the nonlinear system obtained by discretizing a nonlinear diffusion equation. For linear systems, methods in general use of alternating directions type or Gauss Seidel's methods are compared to more recent ones of the type of generalized conjugate gradient; the superiority of the latter is shown by numerical examples. For nonlinear systems, a method on nonlinear conjugate gradient is studied as also Newton's method and some of its variants. It should be noted, however that Newton's method is found to be more efficient when coupled with a good method for solution of the linear system. To conclude, such methods are used to solve a nonlinear diffusion problem and the numerical results obtained are to be compared [fr

  5. Solution of linear and nonlinear matrix systems. Application to a nonlinear diffusion equation

    International Nuclear Information System (INIS)

    Bonnet, M.; Meurant, G.

    1978-01-01

    The object of this study is to compare different methods of solving linear and nonlinear algebraic systems and to apply them to the nonlinear system obtained by discretizing a nonlinear diffusion equation. For linear systems the conventional methods of alternating direction type or Gauss Seidel's methods are compared to more recent ones of the type of generalized conjugate gradient; the superiority of the latter is shown by numerical examples. For nonlinear systems, a method of nonlinear conjugate gradient is studied together with Newton's method and some of its variants. It should be noted, however, that Newton's method is found to be more efficient when coupled with a good method for solving the linear system. As a conclusion, these methods are used to solve a nonlinear diffusion problem and the numerical results obtained are compared [fr

  6. Analytical modeling for fractional multi-dimensional diffusion equations by using Laplace transform

    Directory of Open Access Journals (Sweden)

    Devendra Kumar

    2015-01-01

    Full Text Available In this paper, we propose a simple numerical algorithm for solving multi-dimensional diffusion equations of fractional order which describes density dynamics in a material undergoing diffusion by using homotopy analysis transform method. The fractional derivative is described in the Caputo sense. This homotopy analysis transform method is an innovative adjustment in Laplace transform method and makes the calculation much simpler. The technique is not limited to the small parameter, such as in the classical perturbation method. The scheme gives an analytical solution in the form of a convergent series with easily computable components, requiring no linearization or small perturbation. The numerical solutions obtained by the proposed method indicate that the approach is easy to implement and computationally very attractive.

  7. Contribution to an effective design method for stationary reaction-diffusion patterns

    Energy Technology Data Exchange (ETDEWEB)

    Szalai, István; Horváth, Judit [Laboratory of Nonlinear Chemical Dynamics, Institute of Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112 (Hungary); De Kepper, Patrick [Centre de Recherche Paul Pascal, CNRS, University of Bordeaux, 115, Avenue Schweitzer, F-33600 Pessac (France)

    2015-06-15

    The British mathematician Alan Turing predicted, in his seminal 1952 publication, that stationary reaction-diffusion patterns could spontaneously develop in reacting chemical or biochemical solutions. The first two clear experimental demonstrations of such a phenomenon were not made before the early 1990s when the design of new chemical oscillatory reactions and appropriate open spatial chemical reactors had been invented. Yet, the number of pattern producing reactions had not grown until 2009 when we developed an operational design method, which takes into account the feeding conditions and other specificities of real open spatial reactors. Since then, on the basis of this method, five additional reactions were shown to produce stationary reaction-diffusion patterns. To gain a clearer view on where our methodical approach on the patterning capacity of a reaction stands, numerical studies in conditions that mimic true open spatial reactors were made. In these numerical experiments, we explored the patterning capacity of Rabai's model for pH driven Landolt type reactions as a function of experimentally attainable parameters that control the main time and length scales. Because of the straightforward reversible binding of protons to carboxylate carrying polymer chains, this class of reaction is at the base of the chemistry leading to most of the stationary reaction-diffusion patterns presently observed. We compare our model predictions with experimental observations and comment on agreements and differences.

  8. Contribution to an effective design method for stationary reaction-diffusion patterns

    International Nuclear Information System (INIS)

    Szalai, István; Horváth, Judit; De Kepper, Patrick

    2015-01-01

    The British mathematician Alan Turing predicted, in his seminal 1952 publication, that stationary reaction-diffusion patterns could spontaneously develop in reacting chemical or biochemical solutions. The first two clear experimental demonstrations of such a phenomenon were not made before the early 1990s when the design of new chemical oscillatory reactions and appropriate open spatial chemical reactors had been invented. Yet, the number of pattern producing reactions had not grown until 2009 when we developed an operational design method, which takes into account the feeding conditions and other specificities of real open spatial reactors. Since then, on the basis of this method, five additional reactions were shown to produce stationary reaction-diffusion patterns. To gain a clearer view on where our methodical approach on the patterning capacity of a reaction stands, numerical studies in conditions that mimic true open spatial reactors were made. In these numerical experiments, we explored the patterning capacity of Rabai's model for pH driven Landolt type reactions as a function of experimentally attainable parameters that control the main time and length scales. Because of the straightforward reversible binding of protons to carboxylate carrying polymer chains, this class of reaction is at the base of the chemistry leading to most of the stationary reaction-diffusion patterns presently observed. We compare our model predictions with experimental observations and comment on agreements and differences

  9. Wielandt method applied to the diffusion equations discretized by finite element nodal methods

    International Nuclear Information System (INIS)

    Mugica R, A.; Valle G, E. del

    2003-01-01

    Nowadays the numerical methods of solution to the diffusion equation by means of algorithms and computer programs result so extensive due to the great number of routines and calculations that should carry out, this rebounds directly in the execution times of this programs, being obtained results in relatively long times. This work shows the application of an acceleration method of the convergence of the classic method of those powers that it reduces notably the number of necessary iterations for to obtain reliable results, what means that the compute times they see reduced in great measure. This method is known in the literature like Wielandt method and it has incorporated to a computer program that is based on the discretization of the neutron diffusion equations in plate geometry and stationary state by polynomial nodal methods. In this work the neutron diffusion equations are described for several energy groups and their discretization by means of those called physical nodal methods, being illustrated in particular the quadratic case. It is described a model problem widely described in the literature which is solved for the physical nodal grade schemes 1, 2, 3 and 4 in three different ways: to) with the classic method of the powers, b) method of the powers with the Wielandt acceleration and c) method of the powers with the Wielandt modified acceleration. The results for the model problem as well as for two additional problems known as benchmark problems are reported. Such acceleration method can also be implemented to problems of different geometry to the proposal in this work, besides being possible to extend their application to problems in 2 or 3 dimensions. (Author)

  10. Smoothed particle hydrodynamics model for Landau-Lifshitz-Navier-Stokes and advection-diffusion equations.

    Science.gov (United States)

    Kordilla, Jannes; Pan, Wenxiao; Tartakovsky, Alexandre

    2014-12-14

    We propose a novel smoothed particle hydrodynamics (SPH) discretization of the fully coupled Landau-Lifshitz-Navier-Stokes (LLNS) and stochastic advection-diffusion equations. The accuracy of the SPH solution of the LLNS equations is demonstrated by comparing the scaling of velocity variance and the self-diffusion coefficient with kinetic temperature and particle mass obtained from the SPH simulations and analytical solutions. The spatial covariance of pressure and velocity fluctuations is found to be in a good agreement with theoretical models. To validate the accuracy of the SPH method for coupled LLNS and advection-diffusion equations, we simulate the interface between two miscible fluids. We study formation of the so-called "giant fluctuations" of the front between light and heavy fluids with and without gravity, where the light fluid lies on the top of the heavy fluid. We find that the power spectra of the simulated concentration field are in good agreement with the experiments and analytical solutions. In the absence of gravity, the power spectra decay as the power -4 of the wavenumber-except for small wavenumbers that diverge from this power law behavior due to the effect of finite domain size. Gravity suppresses the fluctuations, resulting in much weaker dependence of the power spectra on the wavenumber. Finally, the model is used to study the effect of thermal fluctuation on the Rayleigh-Taylor instability, an unstable dynamics of the front between a heavy fluid overlaying a light fluid. The front dynamics is shown to agree well with the analytical solutions.

  11. Numerical Analysis Of Hooke Jeeves-Runge Kutta To Determine Reaction Rate Equation In Pyrrole Polymerization

    International Nuclear Information System (INIS)

    Gunawan, Indra; Sulistyo, Harry; Rochmad

    2001-01-01

    The numerical analysis of Hooke Jeeves Methods combined with Runge Kutta Methods is used to determine the exact model of reaction rate equation of pyrrole polymerization. Chemical polymerization of pyrrole was conducted with FeCI 3 / pyrrole solution at concentration ratio of 1.62 mole / mole and 2.18 mole / mole with varrying temperature of 28, 40, 50, and 60 o C. FeCl 3 acts as an oxidation agent to form pyrrole cation that will polymerize. The numerical analysis was done to examine the exact model of reaction rate equation which is derived from reaction equation of initiation, propagation, and termination. From its numerical analysis, it is found that the pyrrole polymerization follows third order of pyrrole cation concentration

  12. Time adaptivity in the diffusive wave approximation to the shallow water equations

    KAUST Repository

    Collier, Nathan; Radwan, Hany; Dalcí n, Lisandro D.; Calo, Victor M.

    2013-01-01

    We discuss the use of time adaptivity applied to the one dimensional diffusive wave approximation to the shallow water equations. A simple and computationally economical error estimator is discussed which enables time-step size adaptivity. This robust adaptive time discretization corrects the initial time step size to achieve a user specified bound on the discretization error and allows time step size variations of several orders of magnitude. In particular, the one dimensional results presented in this work feature a change of four orders of magnitudes for the time step over the entire simulation. © 2011 Elsevier B.V.

  13. EDEF: a program for solving the neutron diffusion equation using microcomputers

    International Nuclear Information System (INIS)

    Fernandes, A.; Maiorino, J.R.

    1990-01-01

    This work presents the development of a program to solve the two-group two-dimensional diffusion equation (with a buckling option to simulate axial leakage) applying the finite element method. It has been developed to microcomputers compatibles to the IBM-PC. Among the facilities of the program, we can mention the simplicity to represent two-dimensional complex domains, the input through a pre-processor and the output in which the fluxes are presented graphically. The program also calculates the multiplication factor, the peaking factor and the power distribution. (author) [pt

  14. Two-Dimensional Space-Time Dependent Multi-group Diffusion Equation with SLOR Method

    International Nuclear Information System (INIS)

    Yulianti, Y.; Su'ud, Z.; Waris, A.; Khotimah, S. N.

    2010-01-01

    The research of two-dimensional space-time diffusion equations with SLOR (Successive-Line Over Relaxation) has been done. SLOR method is chosen because this method is one of iterative methods that does not required to defined whole element matrix. The research is divided in two cases, homogeneous case and heterogeneous case. Homogeneous case has been inserted by step reactivity. Heterogeneous case has been inserted by step reactivity and ramp reactivity. In general, the results of simulations are agreement, even in some points there are differences.

  15. The Galerkin finite element method for a multi-term time-fractional diffusion equation

    KAUST Repository

    Jin, Bangti

    2015-01-01

    © 2014 The Authors. We consider the initial/boundary value problem for a diffusion equation involving multiple time-fractional derivatives on a bounded convex polyhedral domain. We analyze a space semidiscrete scheme based on the standard Galerkin finite element method using continuous piecewise linear functions. Nearly optimal error estimates for both cases of initial data and inhomogeneous term are derived, which cover both smooth and nonsmooth data. Further we develop a fully discrete scheme based on a finite difference discretization of the time-fractional derivatives, and discuss its stability and error estimate. Extensive numerical experiments for one- and two-dimensional problems confirm the theoretical convergence rates.

  16. Numerical method for solving the three-dimensional time-dependent neutron diffusion equation

    International Nuclear Information System (INIS)

    Khaled, S.M.; Szatmary, Z.

    2005-01-01

    A numerical time-implicit method has been developed for solving the coupled three-dimensional time-dependent multi-group neutron diffusion and delayed neutron precursor equations. The numerical stability of the implicit computation scheme and the convergence of the iterative associated processes have been evaluated. The computational scheme requires the solution of large linear systems at each time step. For this purpose, the point over-relaxation Gauss-Seidel method was chosen. A new scheme was introduced instead of the usual source iteration scheme. (author)

  17. Approximate analytical solution of diffusion equation with fractional time derivative using optimal homotopy analysis method

    Directory of Open Access Journals (Sweden)

    S. Das

    2013-12-01

    Full Text Available In this article, optimal homotopy-analysis method is used to obtain approximate analytic solution of the time-fractional diffusion equation with a given initial condition. The fractional derivatives are considered in the Caputo sense. Unlike usual Homotopy analysis method, this method contains at the most three convergence control parameters which describe the faster convergence of the solution. Effects of parameters on the convergence of the approximate series solution by minimizing the averaged residual error with the proper choices of parameters are calculated numerically and presented through graphs and tables for different particular cases.

  18. Fractional diffusion equation with distributed-order material derivative. Stochastic foundations

    International Nuclear Information System (INIS)

    Magdziarz, M; Teuerle, M

    2017-01-01

    In this paper, we present the stochastic foundations of fractional dynamics driven by the fractional material derivative of distributed-order type. Before stating our main result, we present the stochastic scenario which underlies the dynamics given by the fractional material derivative. Then we introduce the Lévy walk process of distributed-order type to establish our main result, which is the scaling limit of the considered process. It appears that the probability density function of the scaling limit process fulfills, in a weak sense, the fractional diffusion equation with the material derivative of distributed-order type. (paper)

  19. Numerical analysis for multi-group neutron-diffusion equation using Radial Point Interpolation Method (RPIM)

    International Nuclear Information System (INIS)

    Kim, Kyung-O; Jeong, Hae Sun; Jo, Daeseong

    2017-01-01

    Highlights: • Employing the Radial Point Interpolation Method (RPIM) in numerical analysis of multi-group neutron-diffusion equation. • Establishing mathematical formation of modified multi-group neutron-diffusion equation by RPIM. • Performing the numerical analysis for 2D critical problem. - Abstract: A mesh-free method is introduced to overcome the drawbacks (e.g., mesh generation and connectivity definition between the meshes) of mesh-based (nodal) methods such as the finite-element method and finite-difference method. In particular, the Point Interpolation Method (PIM) using a radial basis function is employed in the numerical analysis for the multi-group neutron-diffusion equation. The benchmark calculations are performed for the 2D homogeneous and heterogeneous problems, and the Multiquadrics (MQ) and Gaussian (EXP) functions are employed to analyze the effect of the radial basis function on the numerical solution. Additionally, the effect of the dimensionless shape parameter in those functions on the calculation accuracy is evaluated. According to the results, the radial PIM (RPIM) can provide a highly accurate solution for the multiplication eigenvalue and the neutron flux distribution, and the numerical solution with the MQ radial basis function exhibits the stable accuracy with respect to the reference solutions compared with the other solution. The dimensionless shape parameter directly affects the calculation accuracy and computing time. Values between 1.87 and 3.0 for the benchmark problems considered in this study lead to the most accurate solution. The difference between the analytical and numerical results for the neutron flux is significantly increased in the edge of the problem geometry, even though the maximum difference is lower than 4%. This phenomenon seems to arise from the derivative boundary condition at (x,0) and (0,y) positions, and it may be necessary to introduce additional strategy (e.g., the method using fictitious points and

  20. Stochastic Lotka-Volterra equations: A model of lagged diffusion of technology in an interconnected world

    Science.gov (United States)

    Chakrabarti, Anindya S.

    2016-01-01

    We present a model of technological evolution due to interaction between multiple countries and the resultant effects on the corresponding macro variables. The world consists of a set of economies where some countries are leaders and some are followers in the technology ladder. All of them potentially gain from technological breakthroughs. Applying Lotka-Volterra (LV) equations to model evolution of the technology frontier, we show that the way technology diffuses creates repercussions in the partner economies. This process captures the spill-over effects on major macro variables seen in the current highly globalized world due to trickle-down effects of technology.