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Sample records for boltzmann equation

  1. Particle methods for Boltzmann equation

    International Nuclear Information System (INIS)

    Hermeline, F.

    1985-05-01

    This work is aimed at showing how to discretize an equation such as Boltzmann equation in its most general form, by particle methods. Then method is applied to some equations of plasma physics which appear as peculiar cases of Boltzmann equation, such as Vlasov equation, Bhatnager-Gross-Krook equation, Fokker-Planck equation and neutron transport equation [fr

  2. Global existence proof for relativistic Boltzmann equation

    International Nuclear Information System (INIS)

    Dudynski, M.; Ekiel-Jezewska, M.L.

    1992-01-01

    The existence and causality of solutions to the relativistic Boltzmann equation in L 1 and in L loc 1 are proved. The solutions are shown to satisfy physically natural a priori bounds, time-independent in L 1 . The results rely upon new techniques developed for the nonrelativistic Boltzmann equation by DiPerna and Lions

  3. The Acoustic Limit for the Boltzmann Equation

    Science.gov (United States)

    Bardos, Claude; Golse, François; Levermore, C. David

    The acoustic equations are the linearization of the compressible Euler equations about a spatially homogeneous fluid state. We first derive them directly from the Boltzmann equation as the formal limit of moment equations for an appropriately scaled family of Boltzmann solutions. We then establish this limit for the Boltzmann equation considered over a periodic spatial domain for bounded collision kernels. Appropriately scaled families of DiPerna-Lions renormalized solutions are shown to have fluctuations that converge entropically (and hence strongly in L1) to a unique limit governed by a solution of the acoustic equations for all time, provided that its initial fluctuations converge entropically to an appropriate limit associated to any given L2 initial data of the acoustic equations. The associated local conservation laws are recovered in the limit.

  4. Kinetic Boltzmann, Vlasov and Related Equations

    CERN Document Server

    Sinitsyn, Alexander; Vedenyapin, Victor

    2011-01-01

    Boltzmann and Vlasov equations played a great role in the past and still play an important role in modern natural sciences, technique and even philosophy of science. Classical Boltzmann equation derived in 1872 became a cornerstone for the molecular-kinetic theory, the second law of thermodynamics (increasing entropy) and derivation of the basic hydrodynamic equations. After modifications, the fields and numbers of its applications have increased to include diluted gas, radiation, neutral particles transportation, atmosphere optics and nuclear reactor modelling. Vlasov equation was obtained in

  5. An introduction to the theory of the Boltzmann equation

    CERN Document Server

    Harris, Stewart

    2011-01-01

    Boltzmann's equation (or Boltzmann-like equations) appears extensively in such disparate fields as laser scattering, solid-state physics, nuclear transport, and beyond the conventional boundaries of physics and engineering, in the fields of cellular proliferation and automobile traffic flow. This introductory graduate-level course for students of physics and engineering offers detailed presentations of the basic modern theory of Boltzmann's equation, including representative applications using both Boltzmann's equation and the model Boltzmann equations developed within the text. It emphasizes

  6. Singularities in the nonisotropic Boltzmann equation

    International Nuclear Information System (INIS)

    Garibotti, C.R.; Martiarena, M.L.; Zanette, D.

    1987-09-01

    We consider solutions of the nonlinear Boltzmann equation (NLBE) with anisotropic singular initial conditions, which give a simplified model for the penetration of a monochromatic beam on a rarified target. The NLBE is transformed into an integral equation which is solved iteratively and the evolution of the initial singularities is discussed. (author). 5 refs

  7. The Boltzmann equation in the difference formulation

    Energy Technology Data Exchange (ETDEWEB)

    Szoke, Abraham [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Brooks III, Eugene D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-05-06

    First we recall the assumptions that are needed for the validity of the Boltzmann equation and for the validity of the compressible Euler equations. We then present the difference formulation of these equations and make a connection with the time-honored Chapman - Enskog expansion. We discuss the hydrodynamic limit and calculate the thermal conductivity of a monatomic gas, using a simplified approximation for the collision term. Our formulation is more consistent and simpler than the traditional derivation.

  8. Metamaterial characterization using Boltzmann's kinetic equation for electrons

    DEFF Research Database (Denmark)

    Novitsky, Andrey; Zhukovsky, Sergei; Novitsky, D.

    2013-01-01

    Statistical properties of electrons in metals are taken into consideration to describe the microscopic motion of electrons. Assuming degenerate electron gas in metal, we introduce the Boltzmann kinetic equation to supplement Maxwell's equations. The solution of these equations clearly shows...

  9. Soluble Boltzmann equations for internal state and Maxwell models

    NARCIS (Netherlands)

    Futcher, E.; Hoare, M.R.; Hendriks, E.M.; Ernst, M.H.

    We consider a class of scalar nonlinear Boltzmann equations describing the evolution of a microcanonical ensemble in which sub-systems exchange internal energy ‘randomly’ in binary interactions. In the continuous variable version these models can equally be interpreted as Boltzmann equations for

  10. Hot electrons in superlattices: quantum transport versus Boltzmann equation

    DEFF Research Database (Denmark)

    Wacker, Andreas; Jauho, Antti-Pekka; Rott, S.

    1999-01-01

    A self-consistent solution of the transport equation is presented for semiconductor superlattices within different approaches: (i) a full quantum transport model based on nonequilibrium Green functions, (ii) the semiclassical Boltzmann equation for electrons in a miniband, and (iii) Boltzmann...... equation for electrons in Wannier-Stark states. We find good quantitative agreement of the approximations (ii) and (iii) with (i) in their respective ranges of validity. (C) 1999 Elsevier Science B.V. All rights reserved....

  11. Exact results for the Boltzmann equation and Smoluchowski's coagulation equation

    International Nuclear Information System (INIS)

    Hendriks, E.M.

    1983-01-01

    Almost no analytical solutions have been found for realistic intermolecular forces, largely due to the complicated structure of the collision term which calls for the construction of simplified models, in which as many physical properties are maintained as possible. In the first three chapters of this thesis such model Boltzmann equations are studied. Only spatially homogeneous gases with isotropic distribution functions are considered. Chapter I considers transition kernels, chapter II persistent scattering models and chapter III very hard particles. The second part of this dissertation deals with Smoluchowski's coagulation equation for the size distribution function in a coagulating system, with chapters devoted to the following topics: kinetics of gelation and universality, coagulation equations with gelation and exactly soluble models of nucleation. (Auth./C.F.)

  12. Boltzmann equations for a binary one-dimensional ideal gas.

    Science.gov (United States)

    Boozer, A D

    2011-09-01

    We consider a time-reversal invariant dynamical model of a binary ideal gas of N molecules in one spatial dimension. By making time-asymmetric assumptions about the behavior of the gas, we derive Boltzmann and anti-Boltzmann equations that describe the evolution of the single-molecule velocity distribution functions for an ensemble of such systems. We show that for a special class of initial states of the ensemble one can obtain an exact expression for the N-molecule velocity distribution function, and we use this expression to rigorously prove that the time-asymmetric assumptions needed to derive the Boltzmann and anti-Boltzmann equations hold in the limit of large N. Our results clarify some subtle issues regarding the origin of the time asymmetry of Boltzmann's H theorem.

  13. Analysis of spectral methods for the homogeneous Boltzmann equation

    KAUST Repository

    Filbet, Francis

    2011-04-01

    The development of accurate and fast algorithms for the Boltzmann collision integral and their analysis represent a challenging problem in scientific computing and numerical analysis. Recently, several works were devoted to the derivation of spectrally accurate schemes for the Boltzmann equation, but very few of them were concerned with the stability analysis of the method. In particular there was no result of stability except when the method was modified in order to enforce the positivity preservation, which destroys the spectral accuracy. In this paper we propose a new method to study the stability of homogeneous Boltzmann equations perturbed by smoothed balanced operators which do not preserve positivity of the distribution. This method takes advantage of the "spreading" property of the collision, together with estimates on regularity and entropy production. As an application we prove stability and convergence of spectral methods for the Boltzmann equation, when the discretization parameter is large enough (with explicit bound). © 2010 American Mathematical Society.

  14. Celebrating Cercignani's conjecture for the Boltzmann equation

    KAUST Repository

    Villani, Cédric

    2011-01-01

    Cercignani\\'s conjecture assumes a linear inequality between the entropy and entropy production functionals for Boltzmann\\'s nonlinear integral operator in rarefied gas dynamics. Related to the field of logarithmic Sobolev inequalities and spectral gap inequalities, this issue has been at the core of the renewal of the mathematical theory of convergence to thermodynamical equilibrium for rarefied gases over the past decade. In this review paper, we survey the various positive and negative results which were obtained since the conjecture was proposed in the 1980s. © American Institute of Mathematical Sciences.

  15. A fast iterative scheme for the linearized Boltzmann equation

    Science.gov (United States)

    Wu, Lei; Zhang, Jun; Liu, Haihu; Zhang, Yonghao; Reese, Jason M.

    2017-06-01

    Iterative schemes to find steady-state solutions to the Boltzmann equation are efficient for highly rarefied gas flows, but can be very slow to converge in the near-continuum flow regime. In this paper, a synthetic iterative scheme is developed to speed up the solution of the linearized Boltzmann equation by penalizing the collision operator L into the form L = (L + Nδh) - Nδh, where δ is the gas rarefaction parameter, h is the velocity distribution function, and N is a tuning parameter controlling the convergence rate. The velocity distribution function is first solved by the conventional iterative scheme, then it is corrected such that the macroscopic flow velocity is governed by a diffusion-type equation that is asymptotic-preserving into the Navier-Stokes limit. The efficiency of this new scheme is assessed by calculating the eigenvalue of the iteration, as well as solving for Poiseuille and thermal transpiration flows. We find that the fastest convergence of our synthetic scheme for the linearized Boltzmann equation is achieved when Nδ is close to the average collision frequency. The synthetic iterative scheme is significantly faster than the conventional iterative scheme in both the transition and the near-continuum gas flow regimes. Moreover, due to its asymptotic-preserving properties, the synthetic iterative scheme does not need high spatial resolution in the near-continuum flow regime, which makes it even faster than the conventional iterative scheme. Using this synthetic scheme, with the fast spectral approximation of the linearized Boltzmann collision operator, Poiseuille and thermal transpiration flows between two parallel plates, through channels of circular/rectangular cross sections and various porous media are calculated over the whole range of gas rarefaction. Finally, the flow of a Ne-Ar gas mixture is solved based on the linearized Boltzmann equation with the Lennard-Jones intermolecular potential for the first time, and the difference

  16. Comment on ''Boltzmann equation and the conservation of particle number''

    International Nuclear Information System (INIS)

    Zanette, D.

    1990-09-01

    In a recent paper (Z. Banggu, Phys. Rev. A 42, 761 (1990)) it is argued that some solutions of the Boltzmann equation do not satisfy particle conservation as a consequence of the independence of velocity on position. In this comment, the arguments and conclusions of that paper are discussed. In particular, it is stressed that the temporal series used for solving the kinetic equation are generally divergent. A discussion about the particle conservation in its solutions is also provided. (author). 4 refs

  17. From Boltzmann equations to steady wall velocities

    International Nuclear Information System (INIS)

    Konstandin, Thomas; Rues, Ingo; Nardini, Germano; California Univ., Santa Barbara, CA

    2014-07-01

    By means of a relativistic microscopic approach we calculate the expansion velocity of bubbles generated during a first-order electroweak phase transition. In particular, we use the gradient expansion of the Kadanoff-Baym equations to set up the fluid system. This turns out to be equivalent to the one found in the semi-classical approach in the non-relativistic limit. Finally, by including hydrodynamic deflagration effects and solving the Higgs equations of motion in the fluid, we determine velocity and thickness of the bubble walls. Our findings are compared with phenomenological models of wall velocities. As illustrative examples, we apply these results to three theories providing first-order phase transitions with a particle content in the thermal plasma that resembles the Standard Model.

  18. Boltzmann equation and hydrodynamics beyond Navier-Stokes.

    Science.gov (United States)

    Bobylev, A V

    2018-04-28

    We consider in this paper the problem of derivation and regularization of higher (in Knudsen number) equations of hydrodynamics. The author's approach based on successive changes of hydrodynamic variables is presented in more detail for the Burnett level. The complete theory is briefly discussed for the linearized Boltzmann equation. It is shown that the best results in this case can be obtained by using the 'diagonal' equations of hydrodynamics. Rigorous estimates of accuracy of the Navier-Stokes and Burnett approximations are also presented.This article is part of the theme issue 'Hilbert's sixth problem'. © 2018 The Author(s).

  19. Non-linear effects in the Boltzmann equation

    International Nuclear Information System (INIS)

    Barrachina, R.O.

    1985-01-01

    The Boltzmann equation is studied by defining an integral transformation of the energy distribution function for an isotropic and homogeneous gas. This transformation may be interpreted as a linear superposition of equilibrium states with variable temperatures. It is shown that the temporal evolution features of the distribution function are determined by the singularities of said transformation. This method is applied to Maxwell and Very Hard Particle interaction models. For the latter, the solution of the Boltzmann equation with the solution of its linearized version is compared, finding out many basic discrepancies and non-linear effects. This gives a hint to propose a new rational approximation method with a clear physical meaning. Applying this technique, the relaxation features of the BKW (Bobylev, Krook anf Wu) mode is analyzed, finding a conclusive counter-example for the Krook and Wu conjecture. The anisotropic Boltzmann equation for Maxwell models is solved as an expansion in terms of the eigenfunctions of the corresponding linearized collision operator, finding interesting transient overpopulation and underpopulation effects at thermal energies as well as a new preferential spreading effect. By analyzing the initial collision, a criterion is established to deduce the general features of the final approach to equilibrium. Finally, it is shown how to improve the convergence of the eigenfunction expansion for high energy underpopulated distribution functions. As an application of this theory, the linear cascade model for sputtering is analyzed, thus finding out that many differences experimentally observed are due to non-linear effects. (M.E.L.) [es

  20. Finite Element Based Formulation of Lattice Boltzmann Equation

    International Nuclear Information System (INIS)

    Jo, Jong Chull; Roh, Kyung Wan; Kwon, Young W.; Kwon, Young W.

    2008-01-01

    The Lattice Boltzmann Method (LBM) has been developed for application to thermal-fluid problems. Recently, the technique was also applied to fluid-structure interaction problems. Most of those studies considered a regular shape of lattice or mesh like square and cubic grids. In order to apply the LBM to more practical cases, it is necessary to be able to solve complex or irregular shapes of problem domains. There have been different kinds of approaches to address the problems. The most common technique was using the finite volume formulation of the lattice Boltzmann equation. Another approach was a point-wise interpolation technique for irregular grids. Other techniques were based on the finite element method. Generally, the finite element method is very powerful for solving two or three-dimensional complex or irregular shapes of domains using the isoparametric element formulation which is based on a mathematical mapping from a regular shape of element in an imaginary domain to a more general and irregular shape of element in the physical domain. In addition, there are variety of choices of finite elements such as triangular or quadrilateral shapes in 2-D, or tetrahedral, triangular prism, or general six-sided solids in 3-D. As a result, the present study presents a new finite element formulation for the lattice Boltzmann equation using the general weighted residual technique. Among the weighted residual formulations, the collocation method, Galerkin method or method of moments are used to develop the finite element based LBM

  1. Lattice Boltzmann method for the fractional advection-diffusion equation

    Science.gov (United States)

    Zhou, J. G.; Haygarth, P. M.; Withers, P. J. A.; Macleod, C. J. A.; Falloon, P. D.; Beven, K. J.; Ockenden, M. C.; Forber, K. J.; Hollaway, M. J.; Evans, R.; Collins, A. L.; Hiscock, K. M.; Wearing, C.; Kahana, R.; Villamizar Velez, M. L.

    2016-04-01

    Mass transport, such as movement of phosphorus in soils and solutes in rivers, is a natural phenomenon and its study plays an important role in science and engineering. It is found that there are numerous practical diffusion phenomena that do not obey the classical advection-diffusion equation (ADE). Such diffusion is called abnormal or superdiffusion, and it is well described using a fractional advection-diffusion equation (FADE). The FADE finds a wide range of applications in various areas with great potential for studying complex mass transport in real hydrological systems. However, solution to the FADE is difficult, and the existing numerical methods are complicated and inefficient. In this study, a fresh lattice Boltzmann method is developed for solving the fractional advection-diffusion equation (LabFADE). The FADE is transformed into an equation similar to an advection-diffusion equation and solved using the lattice Boltzmann method. The LabFADE has all the advantages of the conventional lattice Boltzmann method and avoids a complex solution procedure, unlike other existing numerical methods. The method has been validated through simulations of several benchmark tests: a point-source diffusion, a boundary-value problem of steady diffusion, and an initial-boundary-value problem of unsteady diffusion with the coexistence of source and sink terms. In addition, by including the effects of the skewness β , the fractional order α , and the single relaxation time τ , the accuracy and convergence of the method have been assessed. The numerical predictions are compared with the analytical solutions, and they indicate that the method is second-order accurate. The method presented will allow the FADE to be more widely applied to complex mass transport problems in science and engineering.

  2. Velocity-Field Theory, Boltzmann's Transport Equation and Geometry

    Science.gov (United States)

    Ichinose, Shoichi

    Boltzmann equation describes the time development of the velocity distribution in the continuum fluid matter. We formulate the equation using the field theory where the velocity-field plays the central role. The matter (constituent particles) fields appear as the density and the viscosity. Fluctuation is examined, and is clearly discriminated from the quantum effect. The time variable is emergently introduced through the computational process step. The collision term, for the (velocity)**4 potential (4-body interaction), is explicitly obtained and the (statistical) fluctuation is closely explained. The present field theory model does not conserve energy and is an open-system model. (One dimensional) Navier-Stokes equation or Burger's equation, appears. In the latter part, we present a way to directly define the distribution function by use of the geometry, appearing in the mechanical dynamics, and Feynman's path-integral.

  3. The Fluid Dynamical Limits of the Linearized Boltzmann Equation.

    Science.gov (United States)

    Campini, Marco

    The old question concerning the mathematical formulation of the fluid dynamic limits of kinetic theory is examined by studying the solution of the Cauchy problem for two differently scaled linearized Boltzmann equations on periodic domain as the mean free path of the particles becomes small. Under minimal assumptions on the initial data, by using an a priori estimate, it is possible, in a Hilbert space functional frame, to prove the weak convergence of solutions toward a function that has the form of an infinitesimal maxwellian in the velocity variable. The velocity moments of this function are then proved to satisfy either the linearized Euler or the Stokes system of equations (depending on the chosen scaling), by passing to the limit in the conservation relations derived from the Boltzmann equation. A theorem injecting continuously the intersection of certain weak spaces into a normed one is proved. Together with properties of the Euler semigroup, this allows to show strong convergence of the first three moments of the distribution function toward the macroscopic quantities density, bulk velocity and temperature, solutions of the linearized Euler system. The Stokes case is treated somewhat differently, through the introduction of a result, proved by using the adjoint formulation for linear kinetic equations, that extends the averaging theory of Golse-Lions-Perthame-Sentis. The desired convergence for the divergence-free component of the second moment toward the macroscopic velocity is then shown.

  4. A modified Poisson-Boltzmann equation applied to protein adsorption.

    Science.gov (United States)

    Gama, Marlon de Souza; Santos, Mirella Simões; Lima, Eduardo Rocha de Almeida; Tavares, Frederico Wanderley; Barreto, Amaro Gomes Barreto

    2018-01-05

    Ion-exchange chromatography has been widely used as a standard process in purification and analysis of protein, based on the electrostatic interaction between the protein and the stationary phase. Through the years, several approaches are used to improve the thermodynamic description of colloidal particle-surface interaction systems, however there are still a lot of gaps specifically when describing the behavior of protein adsorption. Here, we present an improved methodology for predicting the adsorption equilibrium constant by solving the modified Poisson-Boltzmann (PB) equation in bispherical coordinates. By including dispersion interactions between ions and protein, and between ions and surface, the modified PB equation used can describe the Hofmeister effects. We solve the modified Poisson-Boltzmann equation to calculate the protein-surface potential of mean force, treated as spherical colloid-plate system, as a function of process variables. From the potential of mean force, the Henry constants of adsorption, for different proteins and surfaces, are calculated as a function of pH, salt concentration, salt type, and temperature. The obtained Henry constants are compared with experimental data for several isotherms showing excellent agreement. We have also performed a sensitivity analysis to verify the behavior of different kind of salts and the Hofmeister effects. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Supersymmetric electroweak baryogenesis, nonequilibrium field theory and quantum Boltzmann equations

    CERN Document Server

    Riotto, Antonio

    1998-01-01

    The closed time-path (CPT) formalism is a powerful Green's function formulation to describe nonequilibrium phenomena in field theory and it leads to a complete nonequilibrium quantum kinetic theory. In this paper we make use of the CPT formalism to write down a set of quantum Boltzmann equations describing the local number density asymmetries of the particles involved in supersymmetric electroweak baryogenesis. These diffusion equations automatically and self-consistently incorporate the CP-violating sources which fuel baryogenesis when transport properties allow the CP-violating charges to diffuse in front of the bubble wall separating the broken from the unbroken phase at the electroweak phase transition. This is a significant improvement with respect to recent approaches where the CP-violating sources are inserted by hand into the diffusion equations. Furthermore, the CP-violating sources and the particle number changing interactions manifest ``memory'' effects which are typical of the quantum transp ort t...

  6. Exact solutions to the Boltzmann equation by mapping the scattering integral into a differential operator

    Energy Technology Data Exchange (ETDEWEB)

    Zabadal, Jorge; Borges, Volnei; Van der Laan, Flavio T., E-mail: jorge.zabadal@ufrgs.br, E-mail: borges@ufrgs.br, E-mail: ftvdl@ufrgs.br [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Departamento de Engenharia Mecanica. Grupo de Pesquisas Radiologicas; Ribeiro, Vinicius G., E-mail: vinicius_ribeiro@uniritter.edu.br [Centro Universitario Ritter dos Reis (UNIRITTER), Porto Alegre, RS (Brazil); Santos, Marcio G., E-mail: phd.marcio@gmail.com [Universidade Federal do Rio Grande do Sul (UFRGS), Tramandai, RS (Brazil). Departamento Interdisciplinar do Campus Litoral Norte

    2015-07-01

    This work presents a new analytical method for solving the Boltzmann equation. In this formulation, a linear differential operator is applied over the Boltzmann model, in order to produce a partial differential equation in which the scattering term is absent. This auxiliary equation is solved via reduction of order. The exact solution obtained is employed to define a precursor for the buildup factor. (author)

  7. Multimesh anisotropic adaptivity for the Boltzmann transport equation

    International Nuclear Information System (INIS)

    Baker, C.M.J.; Buchan, A.G.; Pain, C.C.; Farrell, P.E.; Eaton, M.D.; Warner, P.

    2013-01-01

    Highlights: ► We solve the Boltzmann transport equation using anisotropically adaptive finite element meshes. ► The finite element mesh is resolved with minimal user input. ► Anisotropic adaptivity uses less elements than adaptive mesh refinement for the same finite element error. ► This paper also demonstrates the use of separate meshes for each energy group within the multigroup discretisation. ► The methods are applied to a range of fixed source and eigenvalue problems. - Abstract: This article presents a new adaptive finite element based method for the solution of the spatial dimensions of the Boltzmann transport equation. The method applies a curvature based error metric to locate the under and over resolved regions of a solution and this, in turn, is used to guide the refinement and coarsening of the spatial mesh. The error metrics and re-meshing procedures are designed such that they enable anisotropic resolution to form in the mesh should it be appropriate to do so. The adaptive mesh enables the appropriate resolution to be applied throughout the whole domain of a problem and so increase the efficiency of the solution procedure. Another new approach is also described that allows independent adaptive meshes to form for each of the energy group fluxes. The use of independent meshes can significantly improve computational efficiency when solving problems where the different group fluxes require high resolution over different regions. The mesh to mesh interpolation is made possible through the use of a ‘supermeshing’ procedure that ensures the conservation of particles when calculating the group to group scattering sources. Finally it is shown how these methods can be incorporated within a solver to resolve both fixed source and eigenvalue problems. A selection of both fixed source and eigenvalue problems are solved in order to demonstrate the capabilities of these methods

  8. New Monte Carlo approach to the adjoint Boltzmann equation

    International Nuclear Information System (INIS)

    De Matteis, A.; Simonini, R.

    1978-01-01

    A class of stochastic models for the Monte Carlo integration of the adjoint neutron transport equation is described. Some current general methods are brought within this class, thus preparing the ground for subsequent comparisons. Monte Carlo integration of the adjoint Boltzmann equation can be seen as a simulation of the transport of mathematical particles with reaction kernels not normalized to unity. This last feature is a source of difficulty: It can influence the variance of the result negatively and also often leads to preparation of special ''libraries'' consisting of tables of normalization factors as functions of energy, presently used by several methods. These are the two main points that are discussed and that are taken into account to devise a nonmultigroup method of solution for a certain class of problems. Reactions considered in detail are radiative capture, elastic scattering, discrete levels and continuum inelastic scattering, for which the need for tables has been almost completely eliminated. The basic policy pursued to avoid a source of statistical fluctuations is to try to make the statistical weight of the traveling particle dependent only on its starting and current energies, at least in simple cases. The effectiveness of the sampling schemes proposed is supported by numerical comparison with other more general adjoint Monte Carlo methods. Computation of neutron flux at a point by means of an adjoint formulation is the problem taken as a test for numerical experiments. Very good results have been obtained in the difficult case of resonant cross sections

  9. On kinetic Boltzmann equations and related hydrodynamic flows with dry viscosity

    Directory of Open Access Journals (Sweden)

    Nikolai N. Bogoliubov (Jr.

    2007-01-01

    Full Text Available A two-component particle model of Boltzmann-Vlasov type kinetic equations in the form of special nonlinear integro-differential hydrodynamic systems on an infinite-dimensional functional manifold is discussed. We show that such systems are naturally connected with the nonlinear kinetic Boltzmann-Vlasov equations for some one-dimensional particle flows with pointwise interaction potential between particles. A new type of hydrodynamic two-component Benney equations is constructed and their Hamiltonian structure is analyzed.

  10. Multilevel Methods for the Poisson-Boltzmann Equation

    Science.gov (United States)

    Holst, Michael Jay

    We consider the numerical solution of the Poisson -Boltzmann equation (PBE), a three-dimensional second order nonlinear elliptic partial differential equation arising in biophysics. This problem has several interesting features impacting numerical algorithms, including discontinuous coefficients representing material interfaces, rapid nonlinearities, and three spatial dimensions. Similar equations occur in various applications, including nuclear physics, semiconductor physics, population genetics, astrophysics, and combustion. In this thesis, we study the PBE, discretizations, and develop multilevel-based methods for approximating the solutions of these types of equations. We first outline the physical model and derive the PBE, which describes the electrostatic potential of a large complex biomolecule lying in a solvent. We next study the theoretical properties of the linearized and nonlinear PBE using standard function space methods; since this equation has not been previously studied theoretically, we provide existence and uniqueness proofs in both the linearized and nonlinear cases. We also analyze box-method discretizations of the PBE, establishing several properties of the discrete equations which are produced. In particular, we show that the discrete nonlinear problem is well-posed. We study and develop linear multilevel methods for interface problems, based on algebraic enforcement of Galerkin or variational conditions, and on coefficient averaging procedures. Using a stencil calculus, we show that in certain simplified cases the two approaches are equivalent, with different averaging procedures corresponding to different prolongation operators. We also develop methods for nonlinear problems based on a nonlinear multilevel method, and on linear multilevel methods combined with a globally convergent damped-inexact-Newton method. We derive a necessary and sufficient descent condition for the inexact-Newton direction, enabling the development of extremely

  11. On the fluid-dynamical approximation to the Boltzmann equation at the level of the Navier-Stokes equation

    International Nuclear Information System (INIS)

    Kawashima, S.; Matsumara, A.; Nishida, T.

    1979-01-01

    The compressible and heat-conductive Navier-Stokes equation obtained as the second approximation of the formal Chapman-Enskog expansion is investigated on its relations to the original nonlinear Boltzmann equation and also to the incompressible Navier-Stokes equation. The solutions of the Boltzmann equation and the incompressible Navier-Stokes equation for small initial data are proved to be asymptotically equivalent (mod decay rate tsup(-5/4)) as t → + infinitely to that of the compressible Navier-Stokes equation for the corresponding initial data. (orig.) 891 HJ/orig. 892 MKO

  12. An introduction to the Boltzmann equation and transport processes in gases

    CERN Document Server

    Kremer, Gilberto M; Colton, David

    2010-01-01

    This book covers classical kinetic theory of gases, presenting basic principles in a self-contained framework and from a more rigorous approach based on the Boltzmann equation. Uses methods in kinetic theory for determining the transport coefficients of gases.

  13. Computational Aeroacoustics Using the Generalized Lattice Boltzmann Equation, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The overall objective of the proposed project is to develop a generalized lattice Boltzmann (GLB) approach as a potential computational aeroacoustics (CAA) tool for...

  14. An improved FMM Algorithm of the 3d-linearized Poisson-Boltzmann Equation

    Directory of Open Access Journals (Sweden)

    Mehrez issa

    2015-06-01

    Full Text Available This paper presents a new FMM algorithm for the linearized Poisson-Boltzmann equation in three dimensions. The performance of the proposed algorithm is assessed on a example in three dimensions and compared with the direct method. The numerical results show the power of the new method, that allow to achieve the best schemes to reduce the time of the particle interactions, which are based on diagonal form of translation operators for linearized Poisson-Boltzmann equation.

  15. A conservative spectral method for the Boltzmann equation with anisotropic scattering and the grazing collisions limit

    International Nuclear Information System (INIS)

    Gamba, Irene M.; Haack, Jeffrey R.

    2014-01-01

    We present the formulation of a conservative spectral method for the Boltzmann collision operator with anisotropic scattering cross-sections. The method is an extension of the conservative spectral method of Gamba and Tharkabhushanam [17,18], which uses the weak form of the collision operator to represent the collisional term as a weighted convolution in Fourier space. The method is tested by computing the collision operator with a suitably cut-off angular cross section and comparing the results with the solution of the Landau equation. We analytically study the convergence rate of the Fourier transformed Boltzmann collision operator in the grazing collisions limit to the Fourier transformed Landau collision operator under the assumption of some regularity and decay conditions of the solution to the Boltzmann equation. Our results show that the angular singularity which corresponds to the Rutherford scattering cross section is the critical singularity for which a grazing collision limit exists for the Boltzmann operator. Additionally, we numerically study the differences between homogeneous solutions of the Boltzmann equation with the Rutherford scattering cross section and an artificial cross section, which give convergence to solutions of the Landau equation at different asymptotic rates. We numerically show the rate of the approximation as well as the consequences for the rate of entropy decay for homogeneous solutions of the Boltzmann equation and Landau equation

  16. Fractional Boltzmann equation for multiple scattering of resonance radiation in low-temperature plasma

    Energy Technology Data Exchange (ETDEWEB)

    Uchaikin, V V; Sibatov, R T, E-mail: vuchaikin@gmail.com, E-mail: ren_sib@bk.ru [Ulyanovsk State University, 432000, 42 Leo Tolstoy str., Ulyanovsk (Russian Federation)

    2011-04-08

    The fractional Boltzmann equation for resonance radiation transport in plasma is proposed. We start with the standard Boltzmann equation; averaging over photon frequencies leads to the appearance of a fractional derivative. This fact is in accordance with the conception of latent variables leading to hereditary and non-local dynamics (in particular, fractional dynamics). The presence of a fractional material derivative in the equation is concordant with heavy tailed distribution of photon path lengths and with spatiotemporal coupling peculiar to the process. We discuss some methods of solving the obtained equation and demonstrate numerical results in some simple cases.

  17. Fractional Boltzmann equation for multiple scattering of resonance radiation in low-temperature plasma

    International Nuclear Information System (INIS)

    Uchaikin, V V; Sibatov, R T

    2011-01-01

    The fractional Boltzmann equation for resonance radiation transport in plasma is proposed. We start with the standard Boltzmann equation; averaging over photon frequencies leads to the appearance of a fractional derivative. This fact is in accordance with the conception of latent variables leading to hereditary and non-local dynamics (in particular, fractional dynamics). The presence of a fractional material derivative in the equation is concordant with heavy tailed distribution of photon path lengths and with spatiotemporal coupling peculiar to the process. We discuss some methods of solving the obtained equation and demonstrate numerical results in some simple cases.

  18. Viscous flow computations with the lattice-Boltzmann equation method

    Science.gov (United States)

    Yu, Dazhi

    2002-09-01

    The lattice Boltzmann equation (LBE) method is a kinetics-based approach for fluid flow computations, and it is amenable to parallel computing. Compared to the well-established Navier-Stokes (NS) approaches, critical issues remain with the LBE method, noticeably flexible spatial resolution, boundary treatments, and dispersion and relaxation time mode. Those issues are addressed in this dissertation with improved practice presented. At the formulation level, both the single-relaxation-time (SRT) and multiple-relaxation-time (MRT) models are analyzed. The SRT model involves no artificial parameters, with a constant relaxation time regulating the physical value of fluid viscosity. The MRT model allows different relaxation time scales for different variables. Computational assessment shows that the MRT model has advantages over the SRT model in maintaining stability, reducing the oscillation, and improving the convergence rate in the computation. A multi-block method is developed for both the SRT and MRT model to facilitate flexible spatial resolutions according to the flow structures. The formulae for information exchange at the interface between coarse and fine grids are derived to ensure the mass and momentum conservation while maintaining the second-order accuracy. A customized time matching between coarse and fine grids is also presented to ensure smooth exchange information. Results show that the multi-block method can greatly increase the computational efficiency of the LBE method without losing the accuracy. Two methods of force evaluation in LBE are examined: one based on stress integration on the solid boundary and the other momentum exchange between fluid and solid. The momentum exchange method is found to be simpler to implement while the integration of stress requires evaluation of the detailed surface geometry and extrapolation of stress-related variables to the same surface. The momentum exchange method performs better overall. Improved treatments for

  19. Coupling Boltzmann and Navier-Stokes Equations by Friction

    OpenAIRE

    Bourgat, Jean-François; Le Tallec, Patrick; Tidriri, Moulay D.

    1995-01-01

    Projet MENUSIN; The aim of this paper is to introduce and validate a coupled Navier-Stokes Boltzmann approach for the calculation of hypersonic rarefied flows around manoeuvering vehicles. The proposed strategy uses locally a kinetic model in the boundary layer coupled through wall friction forces to a global Navier-Stokes solver. Different numerical experiments illustrate the potentialities of the method.

  20. A maximum principle for the first-order Boltzmann equation, incorporating a potential treatment of voids

    International Nuclear Information System (INIS)

    Schofield, S.L.

    1988-01-01

    Ackroyd's generalized least-squares method for solving the first-order Boltzmann equation is adapted to incorporate a potential treatment of voids. The adaptation comprises a direct least-squares minimization allied with a suitably-defined bilinear functional. The resulting formulation gives rise to a maximum principle whose functional does not contain terms of the type that have previously led to difficulties in treating void regions. The maximum principle is derived without requiring continuity of the flux at interfaces. The functional of the maximum principle is concluded to have an Euler-Lagrange equation given directly by the first-order Boltzmann equation. (author)

  1. On the Boltzmann Equation with Stochastic Kinetic Transport: Global Existence of Renormalized Martingale Solutions

    Science.gov (United States)

    Punshon-Smith, Samuel; Smith, Scott

    2018-02-01

    This article studies the Cauchy problem for the Boltzmann equation with stochastic kinetic transport. Under a cut-off assumption on the collision kernel and a coloring hypothesis for the noise coefficients, we prove the global existence of renormalized (in the sense of DiPerna/Lions) martingale solutions to the Boltzmann equation for large initial data with finite mass, energy, and entropy. Our analysis includes a detailed study of weak martingale solutions to a class of linear stochastic kinetic equations. This study includes a criterion for renormalization, the weak closedness of the solution set, and tightness of velocity averages in {{L}1}.

  2. The exact solution to the one-dimensional Poisson–Boltzmann equation with asymmetric boundary conditions

    DEFF Research Database (Denmark)

    Johannessen, Kim

    2014-01-01

    The exact solution to the one-dimensional Poisson–Boltzmann equation with asymmetric boundary conditions can be expressed in terms of the Jacobi elliptic functions. The boundary conditions determine the modulus of the Jacobi elliptic functions. The boundary conditions can not be solved analytically...

  3. Inelastic Quantum Transport in Superlattices: Success and Failure of the Boltzmann Equation

    DEFF Research Database (Denmark)

    Wacker, Andreas; Jauho, Antti-Pekka; Rott, Stephan

    1999-01-01

    the whole held range from linear response to negative differential conductivity. The quantum results are compared with the respective results obtained from a Monte Carlo solution of the Boltzmann equation. Our analysis thus sets the limits of validity for the semiclassical theory in a nonlinear transport...

  4. An overview of the Boltzmann transport equation solution for neutrons, photons and electrons in cartesian geometry

    International Nuclear Information System (INIS)

    Rodriguez, Barbara D. do Amaral; Vilhena, Marco Tullio

    2009-01-01

    Questions regarding accuracy and efficiency of deterministic transport methods are still on our mind today, even with modern supercomputers. The most versatile and widely used deterministic methods are the P N approximation, the S N method (discrete ordinates method) and their variants. In the discrete ordinates (S N ) formulations of the transport equation, it is assumed that the linearized Boltzmann equation only holds for a set of distinct numerical values of the direction-of-motion variables. In this work, looking forward to confirm the capabilities of deterministic methods in obtaining accurate results, we present a general overview of deterministic methods to solve the Boltzmann transport equation for neutral and charged particles. First, we describe a review in the Laplace transform technique applied to S N two dimensional transport equation in a rectangular domain considering Compton scattering. Next, we solved the Fokker-Planck (FP) equation, an alternative approach for the Boltzmann transport equation, assuming a monoenergetic electron beam in a rectangular domain. The main idea relies on applying the P N approximation, a recent advance in the class of deterministic methods, in the angular variable, to the two dimensional Fokker-Planck equation and then applying the Laplace Transform in the spatial x-variable. Numerical results are given to illustrate the accuracy of deterministic methods presented. (author)

  5. Application of Boltzmann equation to electron transmission and seconary electron emission

    International Nuclear Information System (INIS)

    Lanteri, H.; Bindi, R.; Rostaing, P.

    1979-01-01

    A method is presented for numerical treatment of integro-differential equation, based upon finite difference techniques. This method allows to formulate in a satisfactory manner the Boltzmann's equation applied to backscattering, transmission and secondary emission of metallic targets, avoiding must of the restrictive hypothesis, used until now in these models. For aluminium, the calculated energy spectra, angular distribution, transmission and backscattering coefficients, and secondary emission yield, are found to be in good agreement with experiment [fr

  6. Stable lattice Boltzmann model for Maxwell equations in media

    Science.gov (United States)

    Hauser, A.; Verhey, J. L.

    2017-12-01

    The present work shows a method for stable simulations via the lattice Boltzmann (LB) model for electromagnetic waves (EM) transiting homogeneous media. LB models for such media were already presented in the literature, but they suffer from numerical instability when the media transitions are sharp. We use one of these models in the limit of pure vacuum derived from Liu and Yan [Appl. Math. Model. 38, 1710 (2014), 10.1016/j.apm.2013.09.009] and apply an extension that treats the effects of polarization and magnetization separately. We show simulations of simple examples in which EM waves travel into media to quantify error scaling, stability, accuracy, and time scaling. For conductive media, we use the Strang splitting and check the simulations accuracy at the example of the skin effect. Like pure EM propagation, the error for the static limits, which are constructed with a current density added in a first-order scheme, can be less than 1 % . The presented method is an easily implemented alternative for the stabilization of simulation for EM waves propagating in spatially complex structured media properties and arbitrary transitions.

  7. Numerical Treatment of the Boltzmann Equation for Self-Propelled Particle Systems

    Directory of Open Access Journals (Sweden)

    Florian Thüroff

    2014-11-01

    Full Text Available Kinetic theories constitute one of the most promising tools to decipher the characteristic spatiotemporal dynamics in systems of actively propelled particles. In this context, the Boltzmann equation plays a pivotal role, since it provides a natural translation between a particle-level description of the system’s dynamics and the corresponding hydrodynamic fields. Yet, the intricate mathematical structure of the Boltzmann equation substantially limits the progress toward a full understanding of this equation by solely analytical means. Here, we propose a general framework to numerically solve the Boltzmann equation for self-propelled particle systems in two spatial dimensions and with arbitrary boundary conditions. We discuss potential applications of this numerical framework to active matter systems and use the algorithm to give a detailed analysis to a model system of self-propelled particles with polar interactions. In accordance with previous studies, we find that spatially homogeneous isotropic and broken-symmetry states populate two distinct regions in parameter space, which are separated by a narrow region of spatially inhomogeneous, density-segregated moving patterns. We find clear evidence that these three regions in parameter space are connected by first-order phase transitions and that the transition between the spatially homogeneous isotropic and polar ordered phases bears striking similarities to liquid-gas phase transitions in equilibrium systems. Within the density-segregated parameter regime, we find a novel stable limit-cycle solution of the Boltzmann equation, which consists of parallel lanes of polar clusters moving in opposite directions, so as to render the overall symmetry of the system’s ordered state nematic, despite purely polar interactions on the level of single particles.

  8. Multi-term approximation to the Boltzmann transport equation for electron energy distribution functions in nitrogen

    Science.gov (United States)

    Feng, Yue

    Plasma is currently a hot topic and it has many significant applications due to its composition of both positively and negatively charged particles. The energy distribution function is important in plasma science since it characterizes the ability of the plasma to affect chemical reactions, affect physical outcomes, and drive various applications. The Boltzmann Transport Equation is an important kinetic equation that provides an accurate basis for characterizing the distribution function---both in energy and space. This dissertation research proposes a multi-term approximation to solve the Boltzmann Transport Equation by treating the relaxation process using an expansion of the electron distribution function in Legendre polynomials. The elastic and 29 inelastic cross sections for electron collisions with nitrogen molecules (N2) and singly ionized nitrogen molecules ( N+2 ) have been used in this application of the Boltzmann Transport Equation. Different numerical methods have been considered to compare the results. The numerical methods discussed in this thesis are the implicit time-independent method, the time-dependent Euler method, the time-dependent Runge-Kutta method, and finally the implicit time-dependent relaxation method by generating the 4-way grid with a matrix solver. The results show that the implicit time-dependent relaxation method is the most accurate and stable method for obtaining reliable results. The results were observed to match with the published experimental data rather well.

  9. From Conformal Invariance towards Dynamical Symmetries of the Collisionless Boltzmann Equation

    Directory of Open Access Journals (Sweden)

    Stoimen Stoimenov

    2015-09-01

    Full Text Available Dynamical symmetries of the collisionless Boltzmann transport equation, or Vlasov equation, but under the influence of an external driving force, are derived from non-standard representations of the 2D conformal algebra. In the case without external forces, the symmetry of the conformally-invariant transport equation is first generalized by considering the particle momentum as an independent variable. This new conformal representation can be further extended to include an external force. The construction and possible physical applications are outlined.

  10. Application of Littlewood-Paley decomposition to the regularity of Boltzmann type kinetic equations; Application de la decomposition de Littlewood-Paley a la regularite pour des equations cinetiques de type Boltzmann

    Energy Technology Data Exchange (ETDEWEB)

    EL Safadi, M

    2007-03-15

    We study the regularity of kinetic equations of Boltzmann type.We use essentially Littlewood-Paley method from harmonic analysis, consisting mainly in working with dyadics annulus. We shall mainly concern with the homogeneous case, where the solution f(t,x,v) depends only on the time t and on the velocities v, while working with realistic and singular cross-sections (non cutoff). In the first part, we study the particular case of Maxwellian molecules. Under this hypothesis, the structure of the Boltzmann operator and his Fourier transform write in a simple form. We show a global C{sup {infinity}} regularity. Then, we deal with the case of general cross-sections with 'hard potential'. We are interested in the Landau equation which is limit equation to the Boltzmann equation, taking in account grazing collisions. We prove that any weak solution belongs to Schwartz space S. We demonstrate also a similar regularity for the case of Boltzmann equation. Let us note that our method applies directly for all dimensions, and proofs are often simpler compared to other previous ones. Finally, we finish with Boltzmann-Dirac equation. In particular, we adapt the result of regularity obtained in Alexandre, Desvillettes, Wennberg and Villani work, using the dissipation rate connected with Boltzmann-Dirac equation. (author)

  11. A new lattice Boltzmann equation to simulate density-driven convection of carbon dioxide

    KAUST Repository

    Allen, Rebecca

    2013-01-01

    The storage of CO2 in fluid-filled geological formations has been carried out for more than a decade in locations around the world. After CO2 has been injected into the aquifer and has moved laterally under the aquifer\\'s cap-rock, density-driven convection becomes an important transport process to model. However, the challenge lies in simulating this transport process accurately with high spatial resolution and low CPU cost. This issue can be addressed by using the lattice Boltzmann equation (LBE) to formulate a model for a similar scenario when a solute diffuses into a fluid and density differences lead to convective mixing. The LBE is a promising alternative to the traditional methods of computational fluid dynamics. Rather than discretizing the system of partial differential equations of classical continuum mechanics directly, the LBE is derived from a velocity-space truncation of the Boltzmann equation of classical kinetic theory. We propose an extension to the LBE, which can accurately predict the transport of dissolved CO2 in water, as a step towards fluid-filled porous media simulations. This is achieved by coupling two LBEs, one for the fluid flow and one for the convection and diffusion of CO2. Unlike existing lattice Boltzmann equations for porous media flow, our model is derived from a system of moment equations and a Crank-Nicolson discretization of the velocity-truncated Boltzmann equation. The forcing terms are updated locally without the need for additional central difference approximation. Therefore our model preserves all the computational advantages of the single-phase lattice Boltzmann equation and is formally second-order accurate in both space and time. Our new model also features a novel implementation of boundary conditions, which is simple to implement and does not suffer from the grid-dependent error that is present in the standard "bounce-back" condition. The significance of using the LBE in this work lies in the ability to efficiently

  12. Lorentz force correction to the Boltzmann radiation transport equation and its implications for Monte Carlo algorithms.

    Science.gov (United States)

    Bouchard, Hugo; Bielajew, Alex

    2015-07-07

    To establish a theoretical framework for generalizing Monte Carlo transport algorithms by adding external electromagnetic fields to the Boltzmann radiation transport equation in a rigorous and consistent fashion. Using first principles, the Boltzmann radiation transport equation is modified by adding a term describing the variation of the particle distribution due to the Lorentz force. The implications of this new equation are evaluated by investigating the validity of Fano's theorem. Additionally, Lewis' approach to multiple scattering theory in infinite homogeneous media is redefined to account for the presence of external electromagnetic fields. The equation is modified and yields a description consistent with the deterministic laws of motion as well as probabilistic methods of solution. The time-independent Boltzmann radiation transport equation is generalized to account for the electromagnetic forces in an additional operator similar to the interaction term. Fano's and Lewis' approaches are stated in this new equation. Fano's theorem is found not to apply in the presence of electromagnetic fields. Lewis' theory for electron multiple scattering and moments, accounting for the coupling between the Lorentz force and multiple elastic scattering, is found. However, further investigation is required to develop useful algorithms for Monte Carlo and deterministic transport methods. To test the accuracy of Monte Carlo transport algorithms in the presence of electromagnetic fields, the Fano cavity test, as currently defined, cannot be applied. Therefore, new tests must be designed for this specific application. A multiple scattering theory that accurately couples the Lorentz force with elastic scattering could improve Monte Carlo efficiency. The present study proposes a new theoretical framework to develop such algorithms.

  13. Parallel computing solution of Boltzmann neutron transport equation

    International Nuclear Information System (INIS)

    Ansah-Narh, T.

    2010-01-01

    The focus of the research was on developing parallel computing algorithm for solving Eigen-values of the Boltzmam Neutron Transport Equation (BNTE) in a slab geometry using multi-grid approach. In response to the problem of slow execution of serial computing when solving large problems, such as BNTE, the study was focused on the design of parallel computing systems which was an evolution of serial computing that used multiple processing elements simultaneously to solve complex physical and mathematical problems. Finite element method (FEM) was used for the spatial discretization scheme, while angular discretization was accomplished by expanding the angular dependence in terms of Legendre polynomials. The eigenvalues representing the multiplication factors in the BNTE were determined by the power method. MATLAB Compiler Version 4.1 (R2009a) was used to compile the MATLAB codes of BNTE. The implemented parallel algorithms were enabled with matlabpool, a Parallel Computing Toolbox function. The option UseParallel was set to 'always' and the default value of the option was 'never'. When those conditions held, the solvers computed estimated gradients in parallel. The parallel computing system was used to handle all the bottlenecks in the matrix generated from the finite element scheme and each domain of the power method generated. The parallel algorithm was implemented on a Symmetric Multi Processor (SMP) cluster machine, which had Intel 32 bit quad-core x 86 processors. Convergence rates and timings for the algorithm on the SMP cluster machine were obtained. Numerical experiments indicated the designed parallel algorithm could reach perfect speedup and had good stability and scalability. (au)

  14. From Newton's Law to the Linear Boltzmann Equation Without Cut-Off

    Science.gov (United States)

    Ayi, Nathalie

    2017-03-01

    We provide a rigorous derivation of the linear Boltzmann equation without cut-off starting from a system of particles interacting via a potential with infinite range as the number of particles N goes to infinity under the Boltzmann-Grad scaling. More particularly, we will describe the motion of a tagged particle in a gas close to global equilibrium. The main difficulty in our context is that, due to the infinite range of the potential, a non-integrable singularity appears in the angular collision kernel, making no longer valid the single-use of Lanford's strategy. Our proof relies then on a combination of Lanford's strategy, of tools developed recently by Bodineau, Gallagher and Saint-Raymond to study the collision process, and of new duality arguments to study the additional terms associated with the long-range interaction, leading to some explicit weak estimates.

  15. A multi scale approximation solution for the time dependent Boltzmann-transport equation

    International Nuclear Information System (INIS)

    Merk, B.

    2004-03-01

    The basis of all transient simulations for nuclear reactor cores is the reliable calculation of the power production. The local power distribution is generally calculated by solving the space, time, energy and angle dependent neutron transport equation known as Boltzmann equation. The computation of exact solutions of the Boltzmann equation is very time consuming. For practical numerical simulations approximated solutions are usually unavoidable. The objective of this work is development of an effective multi scale approximation solution for the Boltzmann equation. Most of the existing methods are based on separation of space and time. The new suggested method is performed without space-time separation. This effective approximation solution is developed on the basis of an expansion for the time derivative of different approximations to the Boltzmann equation. The method of multiple scale expansion is used for the expansion of the time derivative, because the problem of the stiff time behaviour can't be expressed by standard expansion methods. This multiple scale expansion is used in this work to develop approximation solutions for different approximations of the Boltzmann equation, starting from the expansion of the point kinetics equations. The resulting analytic functions are used for testing the applicability and accuracy of the multiple scale expansion method for an approximation solution with 2 delayed neutron groups. The results are tested versus the exact analytical results for the point kinetics equations. Very good agreement between both solutions is obtained. The validity of the solution with 2 delayed neutron groups to approximate the behaviour of the system with 6 delayed neutron groups is demonstrated in an additional analysis. A strategy for a solution with 4 delayed neutron groups is described. A multiple scale expansion is performed for the space-time dependent diffusion equation for one homogenized cell with 2 delayed neutron groups. The result is

  16. Simulation of 2D rarefied gas flows based on the numerical solution of the Boltzmann equation

    Science.gov (United States)

    Poleshkin, Sergey O.; Malkov, Ewgenij A.; Kudryavtsev, Alexey N.; Shershnev, Anton A.; Bondar, Yevgeniy A.; Kohanchik, A. A.

    2017-10-01

    There are various methods for calculating rarefied gas flows, in particular, statistical methods and deterministic methods based on the finite-difference solutions of the Boltzmann nonlinear kinetic equation and on the solutions of model kinetic equations. There is no universal method; each has its disadvantages in terms of efficiency or accuracy. The choice of the method depends on the problem to be solved and on parameters of calculated flows. Qualitative theoretical arguments help to determine the range of parameters of effectively solved problems for each method; however, it is advisable to perform comparative tests of calculations of the classical problems performed by different methods and with different parameters to have quantitative confirmation of this reasoning. The paper provides the results of the calculations performed by the authors with the help of the Direct Simulation Monte Carlo method and finite-difference methods of solving the Boltzmann equation and model kinetic equations. Based on this comparison, conclusions are made on selecting a particular method for flow simulations in various ranges of flow parameters.

  17. An efficient numerical method for solving the Boltzmann equation in multidimensions

    Science.gov (United States)

    Dimarco, Giacomo; Loubère, Raphaël; Narski, Jacek; Rey, Thomas

    2018-01-01

    In this paper we deal with the extension of the Fast Kinetic Scheme (FKS) (Dimarco and Loubère, 2013 [26]) originally constructed for solving the BGK equation, to the more challenging case of the Boltzmann equation. The scheme combines a robust and fast method for treating the transport part based on an innovative Lagrangian technique supplemented with conservative fast spectral schemes to treat the collisional operator by means of an operator splitting approach. This approach along with several implementation features related to the parallelization of the algorithm permits to construct an efficient simulation tool which is numerically tested against exact and reference solutions on classical problems arising in rarefied gas dynamic. We present results up to the 3 D × 3 D case for unsteady flows for the Variable Hard Sphere model which may serve as benchmark for future comparisons between different numerical methods for solving the multidimensional Boltzmann equation. For this reason, we also provide for each problem studied details on the computational cost and memory consumption as well as comparisons with the BGK model or the limit model of compressible Euler equations.

  18. Bianchi type-I magnetized cosmological models for the Einstein-Boltzmann equation with the cosmological constant

    Energy Technology Data Exchange (ETDEWEB)

    Ayissi, Raoul Domingo, E-mail: raoulayissi@yahoo.fr; Noutchegueme, Norbert, E-mail: nnoutch@yahoo.fr [Department of Mathematics, Faculty of Science, University of Yaounde I, P.O. Box 812, Yaounde (Cameroon)

    2015-01-15

    Global solutions regular for the Einstein-Boltzmann equation on a magnetized Bianchi type-I cosmological model with the cosmological constant are investigated. We suppose that the metric is locally rotationally symmetric. The Einstein-Boltzmann equation has been already considered by some authors. But, in general Bancel and Choquet-Bruhat [Ann. Henri Poincaré XVIII(3), 263 (1973); Commun. Math. Phys. 33, 83 (1973)], they proved only the local existence, and in the case of the nonrelativistic Boltzmann equation. Mucha [Global existence of solutions of the Einstein-Boltzmann equation in the spatially homogeneous case. Evolution equation, existence, regularity and singularities (Banach Center Publications, Institute of Mathematics, Polish Academy of Science, 2000), Vol. 52] obtained a global existence result, for the relativistic Boltzmann equation coupled with the Einstein equations and using the Yosida operator, but confusing unfortunately with the nonrelativistic case. Noutchegueme and Dongho [Classical Quantum Gravity 23, 2979 (2006)] and Noutchegueme, Dongho, and Takou [Gen. Relativ. Gravitation 37, 2047 (2005)], have obtained a global solution in time, but still using the Yosida operator and considering only the uncharged case. Noutchegueme and Ayissi [Adv. Stud. Theor. Phys. 4, 855 (2010)] also proved a global existence of solutions to the Maxwell-Boltzmann system using the characteristic method. In this paper, we obtain using a method totally different from those used in the works of Noutchegueme and Dongho [Classical Quantum Gravity 23, 2979 (2006)], Noutchegueme, Dongho, and Takou [Gen. Relativ. Gravitation 37, 2047 (2005)], Noutchegueme and Ayissi [Adv. Stud. Theor. Phys. 4, 855 (2010)], and Mucha [Global existence of solutions of the Einstein-Boltzmann equation in the spatially homogeneous case. Evolution equation, existence, regularity and singularities (Banach Center Publications, Institute of Mathematics, Polish Academy of Science, 2000), Vol. 52] the

  19. Fermion propagator in an out of equilibrium quantum-field system and the Boltzmann equation

    International Nuclear Information System (INIS)

    Niegawa, A.

    2002-01-01

    We aim to construct from first principles a perturbative framework for studying nonequilibrium quantum-field systems that include massless Dirac fermions. The system of our concern is a quasiuniform system near equilibrium or a nonequilibrium quasistationary system. We employ the closed-time-path formalism and use the so-called gradient approximation. Essentially no further approximation is introduced. We construct a fermion propagator, with which a well-defined perturbative framework is formulated. In the course of the construction of the framework, we obtain the generalized Boltzmann equation that describes the evolution of the number-density functions of (anti)fermionic quasiparticles

  20. The linearized Boltzmann equation: a concise and accurate solution of the temperature-jump problem

    CERN Document Server

    Siewert, C E

    2003-01-01

    Polynomial expansion procedures, along with an analytical discrete-ordinates method, are used to solve the temperature-jump problem based on a rigorous version of the linearized Boltzmann equation for rigid-sphere interactions. In particular, the temperature and density perturbations and the temperature-jump coefficient are obtained (essentially) analytically in terms of a modern version of the discrete-ordinates method. The developed algorithms are implemented for general values of the accommodation coefficient to yield numerical results that can be considered a new standard of reference.

  1. Unified implicit kinetic scheme for steady multiscale heat transfer based on the phonon Boltzmann transport equation

    Science.gov (United States)

    Zhang, Chuang; Guo, Zhaoli; Chen, Songze

    2017-12-01

    An implicit kinetic scheme is proposed to solve the stationary phonon Boltzmann transport equation (BTE) for multiscale heat transfer problem. Compared to the conventional discrete ordinate method, the present method employs a macroscopic equation to accelerate the convergence in the diffusive regime. The macroscopic equation can be taken as a moment equation for phonon BTE. The heat flux in the macroscopic equation is evaluated from the nonequilibrium distribution function in the BTE, while the equilibrium state in BTE is determined by the macroscopic equation. These two processes exchange information from different scales, such that the method is applicable to the problems with a wide range of Knudsen numbers. Implicit discretization is implemented to solve both the macroscopic equation and the BTE. In addition, a memory reduction technique, which is originally developed for the stationary kinetic equation, is also extended to phonon BTE. Numerical comparisons show that the present scheme can predict reasonable results both in ballistic and diffusive regimes with high efficiency, while the memory requirement is on the same order as solving the Fourier law of heat conduction. The excellent agreement with benchmark and the rapid converging history prove that the proposed macro-micro coupling is a feasible solution to multiscale heat transfer problems.

  2. Boltzmann equation for a mixture of gases with non-conservative processes

    International Nuclear Information System (INIS)

    Martiarena, M.L.

    1989-01-01

    The nonlinear and non-isotropic Boltzmann equation (NLBE) including several molecular species, non-conservative channels and external forces. The general solution of that equation is obtained for a spatially homogeneous mixture of L gases, consisting of Maxwell particles, as a Generalized Laguerre expansion, within a Hilbert space. Removal and self-generation effects are included in presence of a time-dependent external force. An exact particular solution is studied generalizing the well-known BKW-mode for a mixture of L gases with inelastic processes. An homogeneous gas of test particles, in d dimension, is considered which interacts with a background host medium in the presence of an external space and time dependent force. Scattering, removal and self-generation collisions are included. The inhomogeneous Boltzmann equation for this system to an homogeneous one is reduced without background or external forces, using a generalized Nilkoskii transform. It is shown that a background of field particles can confine the test gas, even in absence of external forces. Furthermore, the solution of NLBE with non-isotropic singular initial conditions, is analyzed. The NLBE is transformed into an integral equation which is solved iteratively. The evolution of delta and step singularities in the distribution function is discussed during the initial layer and compared with the isotropic case. As an application of the methods abovementioned, the collision of a beam of ions or neutral atoms with a carbon-foil is considered. The electron experimental spectra from a transport equation is described. It is supposed that convoy electron may be produced inside the solid by single ion-atom collisions as ELC or ECC. The produced electrons lost energy by collision with the atoms of the material, which are considered at rest. The electron distribution function is numerically calculated. The ratio between the intrinsic convoy electron peak height to the background electron intensity

  3. Quadratic inner element subgrid scale discretisation of the Boltzmann transport equation

    International Nuclear Information System (INIS)

    Baker, C.M.J.; Buchan, A.G.; Pain, C.C.; Tollit, B.; Eaton, M.D.; Warner, P.

    2012-01-01

    This paper explores the application of the inner element subgrid scale method to the Boltzmann transport equation using quadratic basis functions. Previously, only linear basis functions for both the coarse scale and the fine scale were considered. This paper, therefore, analyses the advantages of using different coarse and subgrid basis functions for increasing the accuracy of the subgrid scale method. The transport of neutral particle radiation may be described by the Boltzmann transport equation (BTE) which, due to its 7 dimensional phase space, is computationally expensive to resolve. Multi-scale methods offer an approach to efficiently resolve the spatial dimensions of the BTE by separating the solution into its coarse and fine scales and formulating a solution whereby only the computationally efficient coarse scales need to be solved. In previous work an inner element subgrid scale method was developed that applied a linear continuous and discontinuous finite element method to represent the solution’s coarse and fine scale components. This approach was shown to generate efficient and stable solutions, and so this article continues its development by formulating higher order quadratic finite element expansions over the continuous and discontinuous scales. Here it is shown that a solution’s convergence can be improved significantly using higher order basis functions. Furthermore, by using linear finite elements to represent coarse scales in combination with quadratic fine scales, convergence can also be improved with only a modest increase in computational expense.

  4. Nanoscale roughness effect on Maxwell-like boundary conditions for the Boltzmann equation

    Energy Technology Data Exchange (ETDEWEB)

    Brull, S., E-mail: Stephane.Brull@math.u-bordeaux.fr; Charrier, P., E-mail: Pierre.Charrier@math.u-bordeaux.fr; Mieussens, L., E-mail: Luc.Mieussens@math.u-bordeaux.fr [University of Bordeaux, CNRS, Bordeaux INP, IMB, UMR 5251, F-33400 Talence (France)

    2016-08-15

    It is well known that the roughness of the wall has an effect on microscale gas flows. This effect can be shown for large Knudsen numbers by using a numerical solution of the Boltzmann equation. However, when the wall is rough at a nanometric scale, it is necessary to use a very small mesh size which is much too expansive. An alternative approach is to incorporate the roughness effect in the scattering kernel of the boundary condition, such as the Maxwell-like kernel introduced by the authors in a previous paper. Here, we explain how this boundary condition can be implemented in a discrete velocity approximation of the Boltzmann equation. Moreover, the influence of the roughness is shown by computing the structure scattering pattern of mono-energetic beams of the incident gas molecules. The effect of the angle of incidence of these molecules, of their mass, and of the morphology of the wall is investigated and discussed in a simplified two-dimensional configuration. The effect of the azimuthal angle of the incident beams is shown for a three-dimensional configuration. Finally, the case of non-elastic scattering is considered. All these results suggest that our approach is a promising way to incorporate enough physics of gas-surface interaction, at a reasonable computing cost, to improve kinetic simulations of micro- and nano-flows.

  5. Properties of the collision operators of the electron Boltzmann equation for a weakly ionized plasma. 1

    International Nuclear Information System (INIS)

    Bartolomaeus, G.; Wilhelm, J.

    1982-01-01

    In the kinetic theory a great variety of physical systems is investigated by means of Boltzmann-like equations. This approach is used for neutral gases, neutron as well as radiation transport, plasmas etc. For many problems the knowledge of the properties of the collision operators is of great importance, especially if eigenvalue problems occur. The paper presents an investigation of the properties of the collision operators of the Boltzmann equation covering elastic, exciting and deexciting processes in a weakly ionized plasma. First, a short survey of the importance of eigenfunctions and eigenvalues in the kinetic theory of various systems is given. Then, properties of the outscattering operator as dependent on the course of the differential cross section are considered. Finally, for the inscattering operator such properties as selfadjointness and rotational invariance are investigated in detail. These considerations provide the basis for the proof of compactness and for first conclusions on the spectral properties of the collision operators in the second part of this paper. (author)

  6. Self-consistent relativistic Boltzmann-Uehling-Uhlenbeck equation for the Δ distribution function

    International Nuclear Information System (INIS)

    Mao, G.; Li, Z.; Zhuo, Y.

    1996-01-01

    We derive the self-consistent relativistic Boltzmann-Uehling-Uhlenbeck (RBUU) equation for the delta distribution function within the framework which we have done for nucleon close-quote s. In our approach, the Δ isobars are treated in essentially the same way as nucleons. Both mean field and collision terms of Δ close-quote s RBUU equation are derived from the same effective Lagrangian and presented analytically. We calculate the in-medium NΔ elastic and inelastic scattering cross sections up to twice nuclear matter density and the results show that the in-medium cross sections deviate substantially from Cugnon close-quote s parametrization that is commonly used in the transport model. copyright 1996 The American Physical Society

  7. Lid-driven cavity flow using a discrete velocity method for solving the Boltzmann equation

    Science.gov (United States)

    Sekaran, Aarthi; Varghese, Philip; Estes, Samuel; Goldstein, David

    2016-11-01

    We extend the discrete velocity method for solving the Boltzmann equation previously used for one-dimensional problems to two spatial dimensions. The collision integral is computed using collisions between velocity classes selected randomly using a Monte Carlo method. Arbitrary post-collision velocities are mapped back onto the grid using a projection scheme which conserves mass, momentum, and energy. In addition, a variance reduction scheme is implemented to decrease noise and further reduce computational effort. The convection part of the equation is computed using first order upwind finite differences. We apply this discrete velocity scheme to the 2D lid-driven square cavity flow problem with Ar as the fluid medium and explore the effect of the additional flexibility available in this quasi-particle based stochastic method on the accuracy and noise level in the solutions obtained.

  8. Cole-Hopf Transformation Based Lattice Boltzmann Model for One-dimensional Burgers’ Equation

    Science.gov (United States)

    Qi, Xiao-Tong; Shi, Bao-Chang; Chai, Zhen-Hua

    2018-03-01

    In this paper, we present a Cole-Hopf transformation based lattice Boltzmann (LB) model for solving one-dimensional Burgers’ equation, and compared to available LB models, the effect of nonlinear convection term can be eliminated. Through Chapman-Enskog analysis, it can be found that the converted diffusion equation based on the Cole-Hopf transformation can be recovered correctly from present LB model. Some numerical tests are also performed to validate the present LB model, and the numerical results show that, similar to previous LB models, the present model also has a second-order convergence rate in space, but it is more accurate than the previous ones. Supported by the National Natural Science Foundation of China under Grant No. 51576079

  9. Spherical harmonics and energy polynomial solution of the Boltzmann equation for neutrons, 1

    International Nuclear Information System (INIS)

    Toledo, P.S. de

    1974-01-01

    The approximate solution of the source-free energy-dependent Boltzmann transport equation for neutrons in plane geometry and isotropic scattering case was given by Leonard and Ferziger using a truncated development in a series of energy-polynomials for the energy dependent neutron flux and solving exactly for the angular dependence. The presence in the general solution of eigenfunctions belonging to a continuous spectrum gives rise to difficult analytical problems in the application of their method even to simple problems. To avoid such difficulties, the angular dependence is treated by a spherical harmonics method and a general solution of the energy-dependent transport equation in plane geometry and isotropic scattering is obtained, in spite of the appearance of matrices as argument of the angular polynomials [pt

  10. Lattice Boltzmann model for high-order nonlinear partial differential equations

    Science.gov (United States)

    Chai, Zhenhua; He, Nanzhong; Guo, Zhaoli; Shi, Baochang

    2018-01-01

    In this paper, a general lattice Boltzmann (LB) model is proposed for the high-order nonlinear partial differential equation with the form ∂tϕ +∑k=1mαk∂xkΠk(ϕ ) =0 (1 ≤k ≤m ≤6 ), αk are constant coefficients, Πk(ϕ ) are some known differential functions of ϕ . As some special cases of the high-order nonlinear partial differential equation, the classical (m)KdV equation, KdV-Burgers equation, K (n ,n ) -Burgers equation, Kuramoto-Sivashinsky equation, and Kawahara equation can be solved by the present LB model. Compared to the available LB models, the most distinct characteristic of the present model is to introduce some suitable auxiliary moments such that the correct moments of equilibrium distribution function can be achieved. In addition, we also conducted a detailed Chapman-Enskog analysis, and found that the high-order nonlinear partial differential equation can be correctly recovered from the proposed LB model. Finally, a large number of simulations are performed, and it is found that the numerical results agree with the analytical solutions, and usually the present model is also more accurate than the existing LB models [H. Lai and C. Ma, Sci. China Ser. G 52, 1053 (2009), 10.1007/s11433-009-0149-3; H. Lai and C. Ma, Phys. A (Amsterdam) 388, 1405 (2009), 10.1016/j.physa.2009.01.005] for high-order nonlinear partial differential equations.

  11. Solution of the Boltzmann-Fokker-Planck transport equation using exponential nodal schemes

    International Nuclear Information System (INIS)

    Ortega J, R.; Valle G, E. del

    2003-01-01

    There are carried out charge and energy calculations deposited due to the interaction of electrons with a plate of a certain material, solving numerically the electron transport equation for the Boltzmann-Fokker-Planck approach of first order in plate geometry with a computer program denominated TEOD-NodExp (Transport of Electrons in Discreet Ordinates, Nodal Exponentials), using the proposed method by the Dr. J. E. Morel to carry out the discretization of the variable energy and several spatial discretization schemes, denominated exponentials nodal. It is used the Fokker-Planck equation since it represents an approach of the Boltzmann transport equation that is been worth whenever it is predominant the dispersion of small angles, that is to say, resulting dispersion in small dispersion angles and small losses of energy in the transport of charged particles. Such electrons could be those that they face with a braking plate in a device of thermonuclear fusion. In the present work its are considered electrons of 1 MeV that impact isotropically on an aluminum plate. They were considered three different thickness of plate that its were designated as problems 1, 2 and 3. In the calculations it was used the discrete ordinate method S 4 with expansions of the dispersion cross sections until P 3 order. They were considered 25 energy groups of uniform size between the minimum energy of 0.1 MeV and the maximum of 1.0 MeV; the one spatial intervals number it was considered variable and it was assigned the values of 10, 20 and 30. (Author)

  12. Boltzmann equation and Monte Carlo studies of electron transport in resistive plate chambers

    International Nuclear Information System (INIS)

    Bošnjaković, D; Petrović, Z Lj; Dujko, S; White, R D

    2014-01-01

    A multi term theory for solving the Boltzmann equation and Monte Carlo simulation technique are used to investigate electron transport in Resistive Plate Chambers (RPCs) that are used for timing and triggering purposes in many high energy physics experiments at CERN and elsewhere. Using cross sections for electron scattering in C 2 H 2 F 4 , iso-C 4 H 10 and SF 6 as an input in our Boltzmann and Monte Carlo codes, we have calculated data for electron transport as a function of reduced electric field E/N in various C 2 H 2 F 4 /iso-C 4 H 10 /SF 6 gas mixtures used in RPCs in the ALICE, CMS and ATLAS experiments. Emphasis is placed upon the explicit and implicit effects of non-conservative collisions (e.g. electron attachment and/or ionization) on the drift and diffusion. Among many interesting and atypical phenomena induced by the explicit effects of non-conservative collisions, we note the existence of negative differential conductivity (NDC) in the bulk drift velocity component with no indication of any NDC for the flux component in the ALICE timing RPC system. We systematically study the origin and mechanisms for such phenomena as well as the possible physical implications which arise from their explicit inclusion into models of RPCs. Spatially-resolved electron transport properties are calculated using a Monte Carlo simulation technique in order to understand these phenomena. (paper)

  13. Computational and analytical comparison of flux discretizations for the semiconductor device equations beyond Boltzmann statistics

    Science.gov (United States)

    Farrell, Patricio; Koprucki, Thomas; Fuhrmann, Jürgen

    2017-10-01

    We compare three thermodynamically consistent numerical fluxes known in the literature, appearing in a Voronoï finite volume discretization of the van Roosbroeck system with general charge carrier statistics. Our discussion includes an extension of the Scharfetter-Gummel scheme to non-Boltzmann (e.g. Fermi-Dirac) statistics. It is based on the analytical solution of a two-point boundary value problem obtained by projecting the continuous differential equation onto the interval between neighboring collocation points. Hence, it serves as a reference flux. The exact solution of the boundary value problem can be approximated by computationally cheaper fluxes which modify certain physical quantities. One alternative scheme averages the nonlinear diffusion (caused by the non-Boltzmann nature of the problem), another one modifies the effective density of states. To study the differences between these three schemes, we analyze the Taylor expansions, derive an error estimate, visualize the flux error and show how the schemes perform for a carefully designed p-i-n benchmark simulation. We present strong evidence that the flux discretization based on averaging the nonlinear diffusion has an edge over the scheme based on modifying the effective density of states.

  14. Applications of MMPBSA to Membrane Proteins I: Efficient Numerical Solutions of Periodic Poisson-Boltzmann Equation.

    Science.gov (United States)

    Botello-Smith, Wesley M; Luo, Ray

    2015-10-26

    Continuum solvent models have been widely used in biomolecular modeling applications. Recently much attention has been given to inclusion of implicit membranes into existing continuum Poisson-Boltzmann solvent models to extend their applications to membrane systems. Inclusion of an implicit membrane complicates numerical solutions of the underlining Poisson-Boltzmann equation due to the dielectric inhomogeneity on the boundary surfaces of a computation grid. This can be alleviated by the use of the periodic boundary condition, a common practice in electrostatic computations in particle simulations. The conjugate gradient and successive over-relaxation methods are relatively straightforward to be adapted to periodic calculations, but their convergence rates are quite low, limiting their applications to free energy simulations that require a large number of conformations to be processed. To accelerate convergence, the Incomplete Cholesky preconditioning and the geometric multigrid methods have been extended to incorporate periodicity for biomolecular applications. Impressive convergence behaviors were found as in the previous applications of these numerical methods to tested biomolecules and MMPBSA calculations.

  15. A Combined MPI-CUDA Parallel Solution of Linear and Nonlinear Poisson-Boltzmann Equation

    Directory of Open Access Journals (Sweden)

    José Colmenares

    2014-01-01

    Full Text Available The Poisson-Boltzmann equation models the electrostatic potential generated by fixed charges on a polarizable solute immersed in an ionic solution. This approach is often used in computational structural biology to estimate the electrostatic energetic component of the assembly of molecular biological systems. In the last decades, the amount of data concerning proteins and other biological macromolecules has remarkably increased. To fruitfully exploit these data, a huge computational power is needed as well as software tools capable of exploiting it. It is therefore necessary to move towards high performance computing and to develop proper parallel implementations of already existing and of novel algorithms. Nowadays, workstations can provide an amazing computational power: up to 10 TFLOPS on a single machine equipped with multiple CPUs and accelerators such as Intel Xeon Phi or GPU devices. The actual obstacle to the full exploitation of modern heterogeneous resources is efficient parallel coding and porting of software on such architectures. In this paper, we propose the implementation of a full Poisson-Boltzmann solver based on a finite-difference scheme using different and combined parallel schemes and in particular a mixed MPI-CUDA implementation. Results show great speedups when using the two schemes, achieving an 18.9x speedup using three GPUs.

  16. A numerical solution of the linear Boltzmann equation using cubic B-splines.

    Science.gov (United States)

    Khurana, Saheba; Thachuk, Mark

    2012-03-07

    A numerical method using cubic B-splines is presented for solving the linear Boltzmann equation. The collision kernel for the system is chosen as the Wigner-Wilkins kernel. A total of three different representations for the distribution function are presented. Eigenvalues and eigenfunctions of the collision matrix are obtained for various mass ratios and compared with known values. Distribution functions, along with first and second moments, are evaluated for different mass and temperature ratios. Overall it is shown that the method is accurate and well behaved. In particular, moments can be predicted with very few points if the representation is chosen well. This method produces sparse matrices, can be easily generalized to higher dimensions, and can be cast into efficient parallel algorithms. © 2012 American Institute of Physics

  17. Azimuthal anisotropy in heavy-ion collisions using non-extensive statistics in Boltzmann transport equation

    International Nuclear Information System (INIS)

    Tripathy, S.; Tiwari, S.K.; Younus, M.; Sahoo, R.

    2017-01-01

    One of the major goals in heavy-ion physics is to understand the properties of Quark Gluon Plasma (QGP), a deconfined hot and dense state of quarks and gluons existed shortly after the Big Bang. In the present scenario, the high-energy particle accelerators are able to reach energies where this extremely dense nuclear matter can be probed for a short time. Here, we follow our earlier works which use non-extensive statistics in Boltzmann Transport Equation (BTE). We represent the initial distribution of particles with the help of Tsallis power law distribution parameterized by the nonextensive parameter q and the Tsallis temperature T, remembering the fact that their origin is due to hard scatterings. We use the initial distribution (f in ) with Relaxation Time Approximation (RTA) of the BTE and calculate the final distribution (f fin ). Then we calculate ν 2 of the system using the final distribution in the definition of ν2

  18. Nonlinear moments method for the isotropic Boltzmann equation and the invariance of collision integral

    International Nuclear Information System (INIS)

    Ehnder, A.Ya.; Ehnder, I.A.

    1999-01-01

    A new approach to develop nonlinear moment method to solve the Boltzmann equation is presented. This approach is based on the invariance of collision integral as to the selection of the base functions. The Sonin polynomials with the Maxwell weighting function are selected to serve as the base functions. It is shown that for the arbitrary cross sections of the interaction the matrix elements corresponding to the moments from the nonlinear integral of collisions are bound by simple recurrent bonds enabling to express all nonlinear matrix elements in terms of the linear ones. As a result, high-efficiency numerical pattern to calculate nonlinear matrix elements is obtained. The presented approach offers possibilities both to calculate relaxation processes within high speed range and to some more complex kinetic problems [ru

  19. Perturbative out of equilibrium quantum field theory beyond the gradient approximation and generalized boltzmann equation

    International Nuclear Information System (INIS)

    Ozaki, Hideaki

    2004-01-01

    Using the closed-time-path formalism, we construct perturbative frameworks, in terms of quasiparticle picture, for studying quasiuniform relativistic quantum field systems near equilibrium and non-equilibrium quasistationary systems. We employ the derivative expansion and take in up to the second-order term, i.e., one-order higher than the gradient approximation. After constructing self-energy resumed propagator, we formulated two kinds of mutually equivalent perturbative frameworks: The first one is formulated on the basis of the 'bare' number density function, and the second one is formulated on the basis of 'physical' number density function. In the course of construction of the second framework, the generalized Boltzmann equations directly come out, which describe the evolution of the system. (author)

  20. Cumulant solution of the elastic Boltzmann transport equation in an infinite uniform medium

    International Nuclear Information System (INIS)

    Cai, W.; Lax, M.; Alfano, R. R.

    2000-01-01

    We consider an analytical solution of the time-dependent elastic Boltzmann transport equation in an infinite uniform isotropic medium with an arbitrary phase function. We obtain (1) the exact distribution in angle, (2) the exact first and second spatial cumulants at any angle, and (3) an approximate combined distribution in position and angle and a spatial distribution whose central position and half-width of spread are always exact. The resulting Gaussian distribution has a center that advances in time, and an ellipsoidal contour that grows and changes shape providing a clear picture of the time evolution of the particle migration from near ballistic, through snakelike and into the final diffusive regime. (c) 2000 The American Physical Society

  1. Continuous surface force based lattice Boltzmann equation method for simulating thermocapillary flow

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Lin, E-mail: lz@njust.edu.cn [School of Energy and Power Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China); Zheng, Song [School of Mathematics and Statistics, Zhejiang University of Finance and Economics, Hangzhou 310018 (China); Zhai, Qinglan [School of Economics Management and Law, Chaohu University, Chaohu 238000 (China)

    2016-02-05

    In this paper, we extend a lattice Boltzmann equation (LBE) with continuous surface force (CSF) to simulate thermocapillary flows. The model is designed on our previous CSF LBE for athermal two phase flow, in which the interfacial tension forces and the Marangoni stresses as the results of the interface interactions between different phases are described by a conception of CSF. In this model, the sharp interfaces between different phases are separated by a narrow transition layers, and the kinetics and morphology evolution of phase separation would be characterized by an order parameter via Cahn–Hilliard equation which is solved in the frame work of LBE. The scalar convection–diffusion equation for temperature field is resolved by thermal LBE. The models are validated by thermal two layered Poiseuille flow, and two superimposed planar fluids at negligibly small Reynolds and Marangoni numbers for the thermocapillary driven convection, which have analytical solutions for the velocity and temperature. Then thermocapillary migration of two/three dimensional deformable droplet are simulated. Numerical results show that the predictions of present LBE agreed with the analytical solution/other numerical results. - Highlights: • A CSF LBE to thermocapillary flows. • Thermal layered Poiseuille flows. • Thermocapillary migration.

  2. Continuous surface force based lattice Boltzmann equation method for simulating thermocapillary flow

    International Nuclear Information System (INIS)

    Zheng, Lin; Zheng, Song; Zhai, Qinglan

    2016-01-01

    In this paper, we extend a lattice Boltzmann equation (LBE) with continuous surface force (CSF) to simulate thermocapillary flows. The model is designed on our previous CSF LBE for athermal two phase flow, in which the interfacial tension forces and the Marangoni stresses as the results of the interface interactions between different phases are described by a conception of CSF. In this model, the sharp interfaces between different phases are separated by a narrow transition layers, and the kinetics and morphology evolution of phase separation would be characterized by an order parameter via Cahn–Hilliard equation which is solved in the frame work of LBE. The scalar convection–diffusion equation for temperature field is resolved by thermal LBE. The models are validated by thermal two layered Poiseuille flow, and two superimposed planar fluids at negligibly small Reynolds and Marangoni numbers for the thermocapillary driven convection, which have analytical solutions for the velocity and temperature. Then thermocapillary migration of two/three dimensional deformable droplet are simulated. Numerical results show that the predictions of present LBE agreed with the analytical solution/other numerical results. - Highlights: • A CSF LBE to thermocapillary flows. • Thermal layered Poiseuille flows. • Thermocapillary migration.

  3. Involving the Navier-Stokes equations in the derivation of boundary conditions for the lattice Boltzmann method.

    Science.gov (United States)

    Verschaeve, Joris C G

    2011-06-13

    By means of the continuity equation of the incompressible Navier-Stokes equations, additional physical arguments for the derivation of a formulation of the no-slip boundary condition for the lattice Boltzmann method for straight walls at rest are obtained. This leads to a boundary condition that is second-order accurate with respect to the grid spacing and conserves mass. In addition, the boundary condition is stable for relaxation frequencies close to two.

  4. Nonlinear Boltzmann equation for the homogeneous isotropic case: Minimal deterministic Matlab program

    Science.gov (United States)

    Asinari, Pietro

    2010-10-01

    The homogeneous isotropic Boltzmann equation (HIBE) is a fundamental dynamic model for many applications in thermodynamics, econophysics and sociodynamics. Despite recent hardware improvements, the solution of the Boltzmann equation remains extremely challenging from the computational point of view, in particular by deterministic methods (free of stochastic noise). This work aims to improve a deterministic direct method recently proposed [V.V. Aristov, Kluwer Academic Publishers, 2001] for solving the HIBE with a generic collisional kernel and, in particular, for taking care of the late dynamics of the relaxation towards the equilibrium. Essentially (a) the original problem is reformulated in terms of particle kinetic energy (exact particle number and energy conservation during microscopic collisions) and (b) the computation of the relaxation rates is improved by the DVM-like correction, where DVM stands for Discrete Velocity Model (ensuring that the macroscopic conservation laws are exactly satisfied). Both these corrections make possible to derive very accurate reference solutions for this test case. Moreover this work aims to distribute an open-source program (called HOMISBOLTZ), which can be redistributed and/or modified for dealing with different applications, under the terms of the GNU General Public License. The program has been purposely designed in order to be minimal, not only with regards to the reduced number of lines (less than 1000), but also with regards to the coding style (as simple as possible). Program summaryProgram title: HOMISBOLTZ Catalogue identifier: AEGN_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGN_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License No. of lines in distributed program, including test data, etc.: 23 340 No. of bytes in distributed program, including test data, etc.: 7 635 236 Distribution format: tar

  5. Boltzmann-equation simulations of radio-frequency-driven, low-temperature plasmas

    International Nuclear Information System (INIS)

    Drallos, P.J.; Riley, M.E.

    1995-01-01

    We present a method for the numerical solution of the Boltzmann equation (BE) describing plasma electrons. We apply the method to a capacitively-coupled, radio-frequency-driven He discharge in parallel-plate (quasi-1D) geometry which contains time scales for physical processes spanning six orders of magnitude. Our BE solution procedure uses the method of characteristics for the Vlasov operator with interpolation in phase space at early time, allowing storage of the distribution function on a fixed phase-space grid. By alternating this BE method with a fluid description of the electrons, or with a novel time-cycle-average equation method, we compute the periodic steady state of a He plasma by time evolution from startup conditions. We find that the results compare favorably with measured current-voltage, plasma density, and ''cited state densities in the ''GEC'' Reference Cell. Our atomic He model includes five levels (some are summed composites), 15 electronic transitions, radiation trapping, and metastable-metastable collisions

  6. Consistent Algorithms Marching Along Characteristics for the Numerical Solution of the Boltzmann Equation

    Directory of Open Access Journals (Sweden)

    Nilson C. Roberty

    2011-01-01

    Full Text Available We introduce algorithms marching over a polygonal mesh with elements consistent with the propagation directions of the particle (radiation flux. The decision for adopting this kind of mesh to solve the one-speed Boltzmann transport equation is due to characteristics of the domain of the transport operator which controls derivatives only in the direction of propagation of the particles (radiation flux in the absorbing and scattering media. This a priori adaptivity has the advantages that it formulates a consistent scheme which makes appropriate the application of the Lax equivalence theorem framework to the problem. In this work, we present the main functional spaces involved in the formalism and a description of the algorithms for the mesh generation and the transport equation solution. Some numerical examples related to the solution of a transmission problem in a high-contrast model with absorption and scattering are presented. Also, a comparison with benchmarks problems for source and reactor criticality simulations shows the compatibility between calculations with the algorithms proposed here and theoretical results.

  7. ADAPTIVE FINITE ELEMENT MODELING TECHNIQUES FOR THE POISSON-BOLTZMANN EQUATION

    Science.gov (United States)

    HOLST, MICHAEL; MCCAMMON, JAMES ANDREW; YU, ZEYUN; ZHOU, YOUNGCHENG; ZHU, YUNRONG

    2011-01-01

    We consider the design of an effective and reliable adaptive finite element method (AFEM) for the nonlinear Poisson-Boltzmann equation (PBE). We first examine the two-term regularization technique for the continuous problem recently proposed by Chen, Holst, and Xu based on the removal of the singular electrostatic potential inside biomolecules; this technique made possible the development of the first complete solution and approximation theory for the Poisson-Boltzmann equation, the first provably convergent discretization, and also allowed for the development of a provably convergent AFEM. However, in practical implementation, this two-term regularization exhibits numerical instability. Therefore, we examine a variation of this regularization technique which can be shown to be less susceptible to such instability. We establish a priori estimates and other basic results for the continuous regularized problem, as well as for Galerkin finite element approximations. We show that the new approach produces regularized continuous and discrete problems with the same mathematical advantages of the original regularization. We then design an AFEM scheme for the new regularized problem, and show that the resulting AFEM scheme is accurate and reliable, by proving a contraction result for the error. This result, which is one of the first results of this type for nonlinear elliptic problems, is based on using continuous and discrete a priori L∞ estimates to establish quasi-orthogonality. To provide a high-quality geometric model as input to the AFEM algorithm, we also describe a class of feature-preserving adaptive mesh generation algorithms designed specifically for constructing meshes of biomolecular structures, based on the intrinsic local structure tensor of the molecular surface. All of the algorithms described in the article are implemented in the Finite Element Toolkit (FETK), developed and maintained at UCSD. The stability advantages of the new regularization scheme

  8. Solution of the Boltzmann-Fokker-Planck transport equation using exponential nodal schemes; Solucion de la ecuacion de transporte de Boltzmann-Fokker-Planck usando esquemas nodales exponenciales

    Energy Technology Data Exchange (ETDEWEB)

    Ortega J, R.; Valle G, E. del [IPN-ESFM, 07738 Mexico D.F. (Mexico)]. e-mail: roj@correo.azc.uam.mx

    2003-07-01

    There are carried out charge and energy calculations deposited due to the interaction of electrons with a plate of a certain material, solving numerically the electron transport equation for the Boltzmann-Fokker-Planck approach of first order in plate geometry with a computer program denominated TEOD-NodExp (Transport of Electrons in Discreet Ordinates, Nodal Exponentials), using the proposed method by the Dr. J. E. Morel to carry out the discretization of the variable energy and several spatial discretization schemes, denominated exponentials nodal. It is used the Fokker-Planck equation since it represents an approach of the Boltzmann transport equation that is been worth whenever it is predominant the dispersion of small angles, that is to say, resulting dispersion in small dispersion angles and small losses of energy in the transport of charged particles. Such electrons could be those that they face with a braking plate in a device of thermonuclear fusion. In the present work its are considered electrons of 1 MeV that impact isotropically on an aluminum plate. They were considered three different thickness of plate that its were designated as problems 1, 2 and 3. In the calculations it was used the discrete ordinate method S{sub 4} with expansions of the dispersion cross sections until P{sub 3} order. They were considered 25 energy groups of uniform size between the minimum energy of 0.1 MeV and the maximum of 1.0 MeV; the one spatial intervals number it was considered variable and it was assigned the values of 10, 20 and 30. (Author)

  9. Computations of ion diffusion coefficients from the Boltzmann-Fokker-Planck equation

    Science.gov (United States)

    Roussel-Dupre, R.

    1981-01-01

    The Boltzmann-Fokker-Planck equation is solved with the Chapman-Enskog method of analysis for the velocity distribution functions of helium, carbon, nitrogen, and oxygen. The analysis is a perturbation scheme based on the assumption of a collision-dominated gas, and the calculations are carried out to first order. The elements considered are treated as trace constituents in an electron-proton gas. From the resulting distribution functions, diffusion coefficients are computed which are found to be 20-30% less than those obtained by Chapman and Burgers. In addition, it is shown that the return current of cold electrons needed to maintain quasi-neutrality in a plasma with a temperature gradient contributes a term in the thermal diffusion coefficient omitted erroneously in previous works. This added term resolves the longstanding controversy over the discrepancy between the coefficients of Chapman and Burgers, which are seen to be completely equivalent in the light of this analysis. The viscosity coefficient for an electron-proton gas is also computed and found to be 7% less than that obtained by Braginskii.

  10. pK(A) in proteins solving the Poisson-Boltzmann equation with finite elements.

    Science.gov (United States)

    Sakalli, Ilkay; Knapp, Ernst-Walter

    2015-11-05

    Knowledge on pK(A) values is an eminent factor to understand the function of proteins in living systems. We present a novel approach demonstrating that the finite element (FE) method of solving the linearized Poisson-Boltzmann equation (lPBE) can successfully be used to compute pK(A) values in proteins with high accuracy as a possible replacement to finite difference (FD) method. For this purpose, we implemented the software molecular Finite Element Solver (mFES) in the framework of the Karlsberg+ program to compute pK(A) values. This work focuses on a comparison between pK(A) computations obtained with the well-established FD method and with the new developed FE method mFES, solving the lPBE using protein crystal structures without conformational changes. Accurate and coarse model systems are set up with mFES using a similar number of unknowns compared with the FD method. Our FE method delivers results for computations of pK(A) values and interaction energies of titratable groups, which are comparable in accuracy. We introduce different thermodynamic cycles to evaluate pK(A) values and we show for the FE method how different parameters influence the accuracy of computed pK(A) values. © 2015 Wiley Periodicals, Inc.

  11. Numerical solutions of the semiclassical Boltzmann ellipsoidal-statistical kinetic model equation

    Science.gov (United States)

    Yang, Jaw-Yen; Yan, Chin-Yuan; Huang, Juan-Chen; Li, Zhihui

    2014-01-01

    Computations of rarefied gas dynamical flows governed by the semiclassical Boltzmann ellipsoidal-statistical (ES) kinetic model equation using an accurate numerical method are presented. The semiclassical ES model was derived through the maximum entropy principle and conserves not only the mass, momentum and energy, but also contains additional higher order moments that differ from the standard quantum distributions. A different decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. The numerical method in phase space combines the discrete-ordinate method in momentum space and the high-resolution shock capturing method in physical space. Numerical solutions of two-dimensional Riemann problems for two configurations covering various degrees of rarefaction are presented and various contours of the quantities unique to this new model are illustrated. When the relaxation time becomes very small, the main flow features a display similar to that of ideal quantum gas dynamics, and the present solutions are found to be consistent with existing calculations for classical gas. The effect of a parameter that permits an adjustable Prandtl number in the flow is also studied. PMID:25104904

  12. Boltzmann equation analysis of electron-molecule collision cross sections in water vapor and ammonia

    International Nuclear Information System (INIS)

    Yousfi, M.; Benabdessadok, M.D.

    1996-01-01

    Sets of electron-molecule collision cross sections for H 2 O and NH 3 have been determined from a classical technique of electron swarm parameter unfolding. This deconvolution method is based on a simplex algorithm using a powerful multiterm Boltzmann equation analysis established in the framework of the classical hydrodynamic approximation. It is well adapted for the simulation of the different classes of swarm experiments (i.e., time resolved, time of flight, and steady state experiments). The sets of collision cross sections that exist in the literature are reviewed and analyzed. Fitted sets of cross sections are determined for H 2 O and NH 3 which exhibit features characteristic of polar molecules such as high rotational excitation collision cross sections. The hydrodynamic swarm parameters (i.e., drift velocity, longitudinal and transverse diffusion coefficients, ionization and attachment coefficients) calculated from the fitted sets are in excellent agreement with the measured ones. These sets are finally used to calculate the transport and reaction coefficients needed for discharge modeling in two cases of typical gas mixtures for which experimental swarm data are very sparse or nonexistent (i.e., flue gas mixtures and gas mixtures for rf plasma surface treatment). copyright 1996 American Institute of Physics

  13. Gas-kinetic unified algorithm for hypersonic flows covering various flow regimes solving Boltzmann model equation in nonequilibrium effect

    International Nuclear Information System (INIS)

    Li, Zhihui; Ma, Qiang; Wu, Junlin; Jiang, Xinyu; Zhang, Hanxin

    2014-01-01

    Based on the Gas-Kinetic Unified Algorithm (GKUA) directly solving the Boltzmann model equation, the effect of rotational non-equilibrium is investigated recurring to the kinetic Rykov model with relaxation property of rotational degrees of freedom. The spin movement of diatomic molecule is described by moment of inertia, and the conservation of total angle momentum is taken as a new Boltzmann collision invariant. The molecular velocity distribution function is integrated by the weight factor on the internal energy, and the closed system of two kinetic controlling equations is obtained with inelastic and elastic collisions. The optimization selection technique of discrete velocity ordinate points and numerical quadrature rules for macroscopic flow variables with dynamic updating evolvement are developed to simulate hypersonic flows, and the gas-kinetic numerical scheme is constructed to capture the time evolution of the discretized velocity distribution functions. The gas-kinetic boundary conditions in thermodynamic non-equilibrium and numerical procedures are studied and implemented by directly acting on the velocity distribution function, and then the unified algorithm of Boltzmann model equation involving non-equilibrium effect is presented for the whole range of flow regimes. The hypersonic flows involving non-equilibrium effect are numerically simulated including the inner flows of shock wave structures in nitrogen with different Mach numbers of 1.5-Ma-25, the planar ramp flow with the whole range of Knudsen numbers of 0.0009-Kn-10 and the three-dimensional re-entering flows around tine double-cone body

  14. Heat transport in two-dimensional materials by directly solving the phonon Boltzmann equation under Callaway's dual relaxation model

    Science.gov (United States)

    Guo, Yangyu; Wang, Moran

    2017-10-01

    The single mode relaxation time approximation has been demonstrated to greatly underestimate the lattice thermal conductivity of two-dimensional materials due to the collective effect of phonon normal scattering. Callaway's dual relaxation model represents a good approximation to the otherwise ab initio solution of the phonon Boltzmann equation. In this work we develop a discrete-ordinate-method (DOM) scheme for the numerical solution of the phonon Boltzmann equation under Callaway's model. Heat transport in a graphene ribbon with different geometries is modeled by our scheme, which produces results quite consistent with the available molecular dynamics, Monte Carlo simulations, and experimental measurements. Callaway's lattice thermal conductivity model with empirical boundary scattering rates is examined and shown to overestimate or underestimate the direct DOM solution. The length convergence of the lattice thermal conductivity of a rectangular graphene ribbon is explored and found to depend appreciably on the ribbon width, with a semiquantitative correlation provided between the convergence length and the width. Finally, we predict the existence of a phonon Knudsen minimum in a graphene ribbon only at a low system temperature and isotope concentration so that the average normal scattering rate is two orders of magnitude stronger than the intrinsic resistive one. The present work will promote not only the methodology for the solution of the phonon Boltzmann equation but also the theoretical modeling and experimental detection of hydrodynamic phonon transport in two-dimensional materials.

  15. On the transparent conducting oxide Al doped ZnO: First Principles and Boltzmann equations study

    Energy Technology Data Exchange (ETDEWEB)

    Slassi, A. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco); Naji, S. [LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco); Department of Physics, Faculty of Science, Ibb University, Ibb (Yemen); Benyoussef, A. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco); Hamedoun, M., E-mail: hamedoun@hotmail.com [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); El Kenz, A. [LMPHE (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco)

    2014-08-25

    Highlights: • The incorporation of Al in ZnO increases the optical band edge absorption. • Incorporated Al creates shallow donor states of Al-3s around Fermi level. • Transmittance decreases in the visible and IR regions, while it increases in the UV region. • Electrical conductivity increases and reaches almost the saturation for high concentration of Al. - Abstract: We report, in this work, a theoretical study on the electronic, optical and electrical properties of pure and Al doped ZnO with different concentrations. In fact, we investigate these properties using both First Principles calculations within TB-mBJ approximation and Boltzmann equations under the constant relaxation time approximation for charge carriers. It is found out that, the calculated lattice parameters and the optical band gap of pure ZnO are close to the experimental values and in a good agreement with the other theoretical studies. It is also observed that, the incorporations of Al in ZnO increase the optical band edge absorption which leads to a blue shift and no deep impurities levels are induced in the band gap as well. More precisely, these incorporations create shallow donor states around Fermi level in the conduction band minimum from mainly Al-3s orbital. Beside this, it is found that, the transmittance is decreased in the visible and IR regions, while it is significantly improved in UV region. Finally, our calculations show that the electrical conductivity is enhanced as a result of Al doping and it reaches almost the saturation for high concentration of Al. These features make Al doped ZnO a transparent conducting electrode for optoelectronic device applications.

  16. SMPBS: Web server for computing biomolecular electrostatics using finite element solvers of size modified Poisson-Boltzmann equation.

    Science.gov (United States)

    Xie, Yang; Ying, Jinyong; Xie, Dexuan

    2017-03-30

    SMPBS (Size Modified Poisson-Boltzmann Solvers) is a web server for computing biomolecular electrostatics using finite element solvers of the size modified Poisson-Boltzmann equation (SMPBE). SMPBE not only reflects ionic size effects but also includes the classic Poisson-Boltzmann equation (PBE) as a special case. Thus, its web server is expected to have a broader range of applications than a PBE web server. SMPBS is designed with a dynamic, mobile-friendly user interface, and features easily accessible help text, asynchronous data submission, and an interactive, hardware-accelerated molecular visualization viewer based on the 3Dmol.js library. In particular, the viewer allows computed electrostatics to be directly mapped onto an irregular triangular mesh of a molecular surface. Due to this functionality and the fast SMPBE finite element solvers, the web server is very efficient in the calculation and visualization of electrostatics. In addition, SMPBE is reconstructed using a new objective electrostatic free energy, clearly showing that the electrostatics and ionic concentrations predicted by SMPBE are optimal in the sense of minimizing the objective electrostatic free energy. SMPBS is available at the URL: smpbs.math.uwm.edu © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  17. Lattice Boltzmann equation calculation of internal, pressure-driven turbulent flow

    International Nuclear Information System (INIS)

    Hammond, L A; Halliday, I; Care, C M; Stevens, A

    2002-01-01

    We describe a mixing-length extension of the lattice Boltzmann approach to the simulation of an incompressible liquid in turbulent flow. The method uses a simple, adaptable, closure algorithm to bound the lattice Boltzmann fluid incorporating a law-of-the-wall. The test application, of an internal, pressure-driven and smooth duct flow, recovers correct velocity profiles for Reynolds number to 1.25 x 10 5 . In addition, the Reynolds number dependence of the friction factor in the smooth-wall branch of the Moody chart is correctly recovered. The method promises a straightforward extension to other curves of the Moody chart and to cylindrical pipe flow

  18. A high-order Petrov-Galerkin method for the Boltzmann transport equation

    International Nuclear Information System (INIS)

    Pain, C.C.; Candy, A.S.; Piggott, M.D.; Buchan, A.; Eaton, M.D.; Goddard, A.J.H.; Oliveira, C.R.E. de

    2005-01-01

    We describe a new Petrov-Galerkin method using high-order terms to introduce dissipation in a residual-free formulation. The method is developed following both a Taylor series analysis and a variational principle, and the result has much in common with traditional Petrov-Galerkin, Self Adjoint Angular Flux (SAAF) and Even Parity forms of the Boltzmann transport equation. In addition, we consider the subtleties in constructing appropriate boundary conditions. In sub-grid scale (SGS) modelling of fluids the advantages of high-order dissipation are well known. Fourth-order terms, for example, are commonly used as a turbulence model with uniform dissipation. They have been shown to have superior properties to SGS models based upon second-order dissipation or viscosity. Even higher-order forms of dissipation (e.g. 16.-order) can offer further advantages, but are only easily realised by spectral methods because of the solution continuity requirements that these higher-order operators demand. Higher-order operators are more effective, bringing a higher degree of representation to the solution locally. Second-order operators, for example, tend to relax the solution to a linear variation locally, whereas a high-order operator will tend to relax the solution to a second-order polynomial locally. The form of the dissipation is also important. For example, the dissipation may only be applied (as it is in this work) in the streamline direction. While for many problems, for example Large Eddy Simulation (LES), simply adding a second or fourth-order dissipation term is a perfectly satisfactory SGS model, it is well known that a consistent residual-free formulation is required for radiation transport problems. This motivated the consideration of a new Petrov-Galerkin method that is residual-free, but also benefits from the advantageous features that SGS modelling introduces. We close with a demonstration of the advantages of this new discretization method over standard Petrov

  19. Unified solution of the Boltzmann equation for electron and ion velocity distribution functions and transport coefficients in weakly ionized plasmas

    Science.gov (United States)

    Konovalov, Dmitry A.; Cocks, Daniel G.; White, Ronald D.

    2017-10-01

    The velocity distribution function and transport coefficients for charged particles in weakly ionized plasmas are calculated via a multi-term solution of Boltzmann's equation and benchmarked using a Monte-Carlo simulation. A unified framework for the solution of the original full Boltzmann's equation is presented which is valid for ions and electrons, avoiding any recourse to approximate forms of the collision operator in various limiting mass ratio cases. This direct method using Lebedev quadratures over the velocity and scattering angles avoids the need to represent the ion mass dependence in the collision operator through an expansion in terms of the charged particle to neutral mass ratio. For the two-temperature Burnett function method considered in this study, this amounts to avoiding the need for the complex Talmi-transformation methods and associated mass-ratio expansions. More generally, we highlight the deficiencies in the two-temperature Burnett function method for heavy ions at high electric fields to calculate the ion velocity distribution function, even though the transport coefficients have converged. Contribution to the Topical Issue "Physics of Ionized Gases (SPIG 2016)", edited by Goran Poparic, Bratislav Obradovic, Dragana Maric and Aleksandar Milosavljevic.

  20. almaBTE : A solver of the space-time dependent Boltzmann transport equation for phonons in structured materials

    Science.gov (United States)

    Carrete, Jesús; Vermeersch, Bjorn; Katre, Ankita; van Roekeghem, Ambroise; Wang, Tao; Madsen, Georg K. H.; Mingo, Natalio

    2017-11-01

    almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio calculated quantities as inputs. The program can predictively tackle phonon transport in bulk crystals and alloys, thin films, superlattices, and multiscale structures with size features in the nm- μm range. Among many other quantities, the program can output thermal conductances and effective thermal conductivities, space-resolved average temperature profiles, and heat-current distributions resolved in frequency and space. Its first-principles character makes almaBTE especially well suited to investigate novel materials and structures. This article gives an overview of the program structure and presents illustrative examples for some of its uses. PROGRAM SUMMARY Program Title:almaBTE Program Files doi:http://dx.doi.org/10.17632/8tfzwgtp73.1 Licensing provisions: Apache License, version 2.0 Programming language: C++ External routines/libraries: BOOST, MPI, Eigen, HDF5, spglib Nature of problem: Calculation of temperature profiles, thermal flux distributions and effective thermal conductivities in structured systems where heat is carried by phonons Solution method: Solution of linearized phonon Boltzmann transport equation, Variance-reduced Monte Carlo

  1. A new algorithm for the simulation of the Boltzmann equation using the direct simulation monte-carlo method

    International Nuclear Information System (INIS)

    Ganjaei, A. A.; Nourazar, S. S.

    2009-01-01

    A new algorithm, the modified direct simulation Monte-Carlo (MDSMC) method, for the simulation of Couette- Taylor gas flow problem is developed. The Taylor series expansion is used to obtain the modified equation of the first order time discretization of the collision equation and the new algorithm, MDSMC, is implemented to simulate the collision equation in the Boltzmann equation. In the new algorithm (MDSMC) there exists a new extra term which takes in to account the effect of the second order collision. This new extra term has the effect of enhancing the appearance of the first Taylor instabilities of vortices streamlines. In the new algorithm (MDSMC) there also exists a second order term in time step in the probabilistic coefficients which has the effect of simulation with higher accuracy than the previous DSMC algorithm. The appearance of the first Taylor instabilities of vortices streamlines using the MDSMC algorithm at different ratios of ω/ν (experimental data of Taylor) occurred at less time-step than using the DSMC algorithm. The results of the torque developed on the stationary cylinder using the MDSMC algorithm show better agreement in comparison with the experimental data of Kuhlthau than the results of the torque developed on the stationary cylinder using the DSMC algorithm

  2. Derivation of the Boltzmann Equation for Financial Brownian Motion: Direct Observation of the Collective Motion of High-Frequency Traders

    Science.gov (United States)

    Kanazawa, Kiyoshi; Sueshige, Takumi; Takayasu, Hideki; Takayasu, Misako

    2018-03-01

    A microscopic model is established for financial Brownian motion from the direct observation of the dynamics of high-frequency traders (HFTs) in a foreign exchange market. Furthermore, a theoretical framework parallel to molecular kinetic theory is developed for the systematic description of the financial market from microscopic dynamics of HFTs. We report first on a microscopic empirical law of traders' trend-following behavior by tracking the trajectories of all individuals, which quantifies the collective motion of HFTs but has not been captured in conventional order-book models. We next introduce the corresponding microscopic model of HFTs and present its theoretical solution paralleling molecular kinetic theory: Boltzmann-like and Langevin-like equations are derived from the microscopic dynamics via the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy. Our model is the first microscopic model that has been directly validated through data analysis of the microscopic dynamics, exhibiting quantitative agreements with mesoscopic and macroscopic empirical results.

  3. Effects of density and force discretizations on spurious velocities in lattice Boltzmann equation for two-phase flows

    KAUST Repository

    Xiong, Yuan

    2014-04-28

    Spurious current emerging in the vicinity of phase interfaces is a well-known disadvantage of the lattice Boltzmann equation (LBE) for two-phase flows. Previous analysis shows that this unphysical phenomenon comes from the force imbalance at discrete level inherited in LBE (Guo et al 2011 Phys. Rev. E 83 036707). Based on the analysis of the LBE free of checkerboard effects, in this work we further show that the force imbalance is caused by the different discretization stencils: the implicit one from the streaming process and the explicit one from the discretization of the force term. Particularly, the total contribution includes two parts, one from the difference between the intrinsically discretized density (or ideal gas pressure) gradient and the explicit ones in the force term, and the other from the explicit discretized chemical potential gradients in the intrinsically discretized force term. The former contribution is a special feature of LBE which was not realized previously.

  4. Self-energy-part resummed quark and gluon propagators in a spin-polarized quark matter and generalized Boltzmann equations

    International Nuclear Information System (INIS)

    Niegawa, A.

    2003-01-01

    We construct perturbative frameworks for studying nonequilibrium spin-polarized quark matter. We employ the closed-time-path formalism and use the gradient approximation in derivative expansion. After constructing self-energy-part resummed quark and gluon propagators, we formulate two kinds of mutually equivalent perturbative frameworks: The first one is formulated on the basis of the initial-particle distribution function, and the second one is formulated on the basis of a 'physical' particle distribution function. In the course of the construction of the second framework, the generalized Boltzmann equations and their relatives directly come out, which describe the evolution of the system. The frameworks are relevant to the study of a magnetic character of quark matter, e.g., possible quark stars

  5. Understanding complex coacervation in serum albumin and pectin mixtures using a combination of the Boltzmann equation and Monte Carlo simulation.

    Science.gov (United States)

    Li, Yunqi; Zhao, Qin; Huang, Qingrong

    2014-01-30

    A combination of turbidimetric titration, a sigmoidal Boltzmann equation approach and Monte Carlo simulation has been used to study the complex coacervation in serum albumin and pectin mixtures. The effects of the mass ratio of protein to polysaccharide on the critical pH values, the probability of complex coacervation and the electrostatic interaction from charge patches in serum albumin were investigated. Turbidimetric titration results showed an optimum pH for complex coacervation (pHm), which corresponded to the maximum turbidity in the protein/polysaccharide mixture. The pHm monotonically decreased as the ratio decreased, and could be fitted using the sigmoidal Boltzmann equation. It suggests that pHm could be a good ordering parameter to characterize the phase behavior associated with protein/polysaccharide complex coacervation. Qualitative understanding of pHm by taking into account the minimization of electrostatic interaction, as well as quantitative matching of pHm according to the concept of charge neutralization were both achieved. Our results suggest that the serum albumin/pectin complexes were ultimately neutralized by the partial charges originated from the titratable residues in protein and polysaccharide chains at pHm. The Monte Carlo simulation provided consistent phase boundaries for complex coacervation in the same system, and the intermolecular association strength was determined to be several kBT below the given ionic strength. The strongest binding site in the protein is convergent to the largest positive charge patch if pure electrostatic interaction was considered. Further inclusion of contribution from excluded volume resulted in the binding site distribution over five different positive charge patches at different protein/polysaccharide ratios and pH values. Copyright © 2013 Elsevier Ltd. All rights reserved.

  6. A deterministic solution of the first order linear Boltzmann transport equation in the presence of external magnetic fields.

    Science.gov (United States)

    St Aubin, J; Keyvanloo, A; Vassiliev, O; Fallone, B G

    2015-02-01

    Accurate radiotherapy dose calculation algorithms are essential to any successful radiotherapy program, considering the high level of dose conformity and modulation in many of today's treatment plans. As technology continues to progress, such as is the case with novel MRI-guided radiotherapy systems, the necessity for dose calculation algorithms to accurately predict delivered dose in increasingly challenging scenarios is vital. To this end, a novel deterministic solution has been developed to the first order linear Boltzmann transport equation which accurately calculates x-ray based radiotherapy doses in the presence of magnetic fields. The deterministic formalism discussed here with the inclusion of magnetic fields is outlined mathematically using a discrete ordinates angular discretization in an attempt to leverage existing deterministic codes. It is compared against the EGSnrc Monte Carlo code, utilizing the emf_macros addition which calculates the effects of electromagnetic fields. This comparison is performed in an inhomogeneous phantom that was designed to present a challenging calculation for deterministic calculations in 0, 0.6, and 3 T magnetic fields oriented parallel and perpendicular to the radiation beam. The accuracy of the formalism discussed here against Monte Carlo was evaluated with a gamma comparison using a standard 2%/2 mm and a more stringent 1%/1 mm criterion for a standard reference 10 × 10 cm(2) field as well as a smaller 2 × 2 cm(2) field. Greater than 99.8% (94.8%) of all points analyzed passed a 2%/2 mm (1%/1 mm) gamma criterion for all magnetic field strengths and orientations investigated. All dosimetric changes resulting from the inclusion of magnetic fields were accurately calculated using the deterministic formalism. However, despite the algorithm's high degree of accuracy, it is noticed that this formalism was not unconditionally stable using a discrete ordinate angular discretization. The feasibility of including magnetic field

  7. Decoupled scheme based on the Hermite expansion to construct lattice Boltzmann models for the compressible Navier-Stokes equations with arbitrary specific heat ratio.

    Science.gov (United States)

    Hu, Kainan; Zhang, Hongwu; Geng, Shaojuan

    2016-10-01

    A decoupled scheme based on the Hermite expansion to construct lattice Boltzmann models for the compressible Navier-Stokes equations with arbitrary specific heat ratio is proposed. The local equilibrium distribution function including the rotational velocity of particle is decoupled into two parts, i.e., the local equilibrium distribution function of the translational velocity of particle and that of the rotational velocity of particle. From these two local equilibrium functions, two lattice Boltzmann models are derived via the Hermite expansion, namely one is in relation to the translational velocity and the other is connected with the rotational velocity. Accordingly, the distribution function is also decoupled. After this, the evolution equation is decoupled into the evolution equation of the translational velocity and that of the rotational velocity. The two evolution equations evolve separately. The lattice Boltzmann models used in the scheme proposed by this work are constructed via the Hermite expansion, so it is easy to construct new schemes of higher-order accuracy. To validate the proposed scheme, a one-dimensional shock tube simulation is performed. The numerical results agree with the analytical solutions very well.

  8. Self-contained solution to the spatially inhomogeneous electron Boltzmann equation in a cylindrical plasma positive column

    Energy Technology Data Exchange (ETDEWEB)

    Alves, L.L.; Gousset, G.; Ferreira, C.M. [Centro de Electrodinamica, Instituto Superior Tecnico, 1096 Lisboa Codex (Portugal)]|[Laboratoire de Physique des Gaz et des Plasmas, Universite de Paris-Sud, 91405 Orsay Cedex (France)

    1997-01-01

    In this paper we develop a {ital self-contained formulation} to solve the steady-state spatially inhomogeneous electron Boltzmann equation (EBE) in a plasma positive column, taking into account the spatial gradient and the space-charge field terms. The problem is solved in cylindrical geometry using the classical two-term approximation, with appropriate boundary conditions for the electron velocity distribution function, especially at the tube wall. A condition for the microscopic radial flux of electrons at the wall is deduced, and a detailed analysis of some limiting situations is carried out. The present formulation is {ital self-contained} in the sense that the electron particle balance equation is exactly satisfied, that is, the ionization rate exactly compensates for the electron loss rate to the wall. This condition yields a relationship between the applied maintaining field and the gas pressure, termed the {ital discharge characteristic}, which is obtained as an {ital eigenvalue solution} to the problem. By solving the EBE we directly obtain the isotropic and the anisotropic components of the electron distribution function (EDF), from which we deduce the radial distributions of all relevant macroscopic quantities: electron density, electron transport parameters and rate coefficients for excitation and ionization, and electron power transfer. The results show that the values of these quantities across the discharge are lower than those calculated for a homogeneous situation, due to the loss of electrons to the wall. The solutions for the EDF reveal that, for sufficiently low maintaining fields, the radial anisotropy at some radial positions can be negative, that is, directed toward the discharge axis, for energies above a {ital collisional barrier} around the inelastic thresholds. However, at the wall, the radial anisotropy always points to the wall, due to the strong electron drain occuring in this region. (Abstract Truncated)

  9. Mass and heat transfer between evaporation and condensation surfaces: Atomistic simulation and solution of Boltzmann kinetic equation.

    Science.gov (United States)

    Zhakhovsky, Vasily V; Kryukov, Alexei P; Levashov, Vladimir Yu; Shishkova, Irina N; Anisimov, Sergey I

    2018-04-16

    Boundary conditions required for numerical solution of the Boltzmann kinetic equation (BKE) for mass/heat transfer between evaporation and condensation surfaces are analyzed by comparison of BKE results with molecular dynamics (MD) simulations. Lennard-Jones potential with parameters corresponding to solid argon is used to simulate evaporation from the hot side, nonequilibrium vapor flow with a Knudsen number of about 0.02, and condensation on the cold side of the condensed phase. The equilibrium density of vapor obtained in MD simulation of phase coexistence is used in BKE calculations for consistency of BKE results with MD data. The collision cross-section is also adjusted to provide a thermal flux in vapor identical to that in MD. Our MD simulations of evaporation toward a nonreflective absorbing boundary show that the velocity distribution function (VDF) of evaporated atoms has the nearly semi-Maxwellian shape because the binding energy of atoms evaporated from the interphase layer between bulk phase and vapor is much smaller than the cohesive energy in the condensed phase. Indeed, the calculated temperature and density profiles within the interphase layer indicate that the averaged kinetic energy of atoms remains near-constant with decreasing density almost until the interphase edge. Using consistent BKE and MD methods, the profiles of gas density, mass velocity, and temperatures together with VDFs in a gap of many mean free paths between the evaporation and condensation surfaces are obtained and compared. We demonstrate that the best fit of BKE results with MD simulations can be achieved with the evaporation and condensation coefficients both close to unity.

  10. The global existence and large time behavior of smooth compressible fluid in an infinitely expanding ball, III: The 3-D Boltzmann equation

    Science.gov (United States)

    Yin, Huicheng; Zhao, Wenbin

    2018-01-01

    This paper is a continuation of the works in [35] and [37], where the authors have established the global existence of smooth compressible flows in infinitely expanding balls for inviscid gases and viscid gases, respectively. In this paper, we are concerned with the global existence and large time behavior of compressible Boltzmann gases in an infinitely expanding ball. Such a problem is one of the interesting models in studying the theory of global smooth solutions to multidimensional compressible gases with time dependent boundaries and vacuum states at infinite time. Due to the conservation of mass, the fluid in the expanding ball becomes rarefied and eventually tends to a vacuum state meanwhile there are no appearances of vacuum domains in any part of the expansive ball, which is easily observed in finite time. In the present paper, we will confirm this physical phenomenon for the Boltzmann equation by obtaining the exact lower and upper bound on the macroscopic density function.

  11. Analysis of the gravitational coupled collisionless Boltzmann-poisson equations and numerical simulations of the formation of self-gravitating systems

    International Nuclear Information System (INIS)

    Roy, Fabrice

    2004-01-01

    We study the formation of self-gravitating systems and their properties by means of N-body simulations of gravitational collapse. First, we summarize the major analytical results concerning the collisionless Boltzmann equation and the Poisson's equation which describe the dynamics of collisionless gravitational systems. We present a study of some analytical solutions of this coupled system of equations. We then present the software used to perform the simulations. Some of this has been parallelized and implemented with the aid of MPI. For this reason we give a brief overview of it. Finally, we present the results of the numerical simulations. Analysis of these results allows us to explain some features of self-gravitating systems and the initial conditions needed to trigger the Antonov instability and the radial orbit instability. (author) [fr

  12. Compressible fluids with Maxwell-type equations, the minimal coupling with electromagnetic field and the Stefan–Boltzmann law

    Energy Technology Data Exchange (ETDEWEB)

    Mendes, Albert C.R., E-mail: albert@fisica.ufjf.br [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil); Takakura, Flavio I., E-mail: takakura@fisica.ufjf.br [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil); Abreu, Everton M.C., E-mail: evertonabreu@ufrrj.br [Grupo de Física Teórica e Matemática Física, Departamento de Física, Universidade Federal Rural do Rio de Janeiro, 23890-971, Seropédica - RJ (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil); Neto, Jorge Ananias, E-mail: jorge@fisica.ufjf.br [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330, Juiz de Fora - MG (Brazil)

    2017-05-15

    In this work we have obtained a higher-derivative Lagrangian for a charged fluid coupled with the electromagnetic fluid and the Dirac’s constraints analysis was discussed. A set of first-class constraints fixed by noncovariant gauge condition were obtained. The path integral formalism was used to obtain the partition function for the corresponding higher-derivative Hamiltonian and the Faddeev–Popov ansatz was used to construct an effective Lagrangian. Through the partition function, a Stefan–Boltzmann type law was obtained. - Highlights: • Higher-derivative Lagrangian for a charged fluid. • Electromagnetic coupling and Dirac’s constraint analysis. • Partition function through path integral formalism. • Stefan–Boltzmann-kind law through the partition function.

  13. Accuracy assessment of the linear Poisson-Boltzmann equation and reparametrization of the OBC generalized Born model for nucleic acids and nucleic acid-protein complexes.

    Science.gov (United States)

    Fogolari, Federico; Corazza, Alessandra; Esposito, Gennaro

    2015-04-05

    The generalized Born model in the Onufriev, Bashford, and Case (Onufriev et al., Proteins: Struct Funct Genet 2004, 55, 383) implementation has emerged as one of the best compromises between accuracy and speed of computation. For simulations of nucleic acids, however, a number of issues should be addressed: (1) the generalized Born model is based on a linear model and the linearization of the reference Poisson-Boltmann equation may be questioned for highly charged systems as nucleic acids; (2) although much attention has been given to potentials, solvation forces could be much less sensitive to linearization than the potentials; and (3) the accuracy of the Onufriev-Bashford-Case (OBC) model for nucleic acids depends on fine tuning of parameters. Here, we show that the linearization of the Poisson Boltzmann equation has mild effects on computed forces, and that with optimal choice of the OBC model parameters, solvation forces, essential for molecular dynamics simulations, agree well with those computed using the reference Poisson-Boltzmann model. © 2015 Wiley Periodicals, Inc.

  14. On a two-relaxation-time D2Q9 lattice Boltzmann model for the Navier-Stokes equations

    Science.gov (United States)

    Zhao, Weifeng; Wang, Liang; Yong, Wen-An

    2018-02-01

    In this paper, we are concerned with the stability of some lattice kinetic schemes. First, we show that a recently proposed lattice kinetic scheme is a two-relaxation-time model different from those in the literature. Second, we analyze the stability of the model by verifying the Onsager-like relation. In addition, a necessary stability criterion for hyperbolic relaxation systems is adapted to the lattice Boltzmann method. As an application of this criterion, we find some necessary stability conditions for a previously proposed lattice kinetic scheme. Numerical experiments are conducted to validate the necessary stability conditions.

  15. Generalized boundary conditions in an existence and uniqueness proof for the solution of the non-stationary electron Boltzmann equation by means of operator-semigroups

    International Nuclear Information System (INIS)

    Bartolomaeus, G.; Wilhelm, J.

    1983-01-01

    Recently, based on the semigroup approach a new proof was presented of the existence of a unique solution of the non-stationary Boltzmann equation for the electron component of a collision dominated plasma. The proof underlies some restriction which should be overcome to extend the validity range to other problems of physical interest. One of the restrictions is the boundary condition applied. The choice of the boundary condition is essential for the proof because it determines the range of definition of the infinitesimal generator and thus the operator semigroup itself. The paper proves the existence of a unique solution for generalized boundary conditions, this solution takes non-negative values, which is necessary for a distribution function from the physical point of view. (author)

  16. Discontinuous finite element space-angle treatment of the first order linear Boltzmann transport equation with magnetic fields: Application to MRI-guided radiotherapy

    Energy Technology Data Exchange (ETDEWEB)

    St Aubin, J., E-mail: joel.st.aubin@albertahealthservices.ca [Department of Medical Physics, Cross Cancer Institute, 11560 University Avenue, Edmonton, Alberta T6G 1Z2, Canada and Department of Oncology, Medical Physics Division, University of Alberta, 11560 University Avenue, Edmonton, Alberta T6G 1Z2 (Canada); Keyvanloo, A. [Department of Medical Physics, Cross Cancer Institute, 11560 University Avenue, Edmonton, Alberta T6G 1Z2 (Canada); Fallone, B. G. [Department of Medical Physics, Cross Cancer Institute, 11560 University Avenue, Edmonton, Alberta T6G 1Z2 (Canada); Department of Oncology, Medical Physics Division, University of Alberta, 11560 University Avenue, Edmonton, Alberta T6G 1Z2 (Canada); Department of Physics, University of Alberta, Edmonton, Alberta T6G 2M9 (Canada)

    2016-01-15

    Purpose: The advent of magnetic resonance imaging (MRI) guided radiotherapy systems demands the incorporation of the magnetic field into dose calculation algorithms of treatment planning systems. This is due to the fact that the Lorentz force of the magnetic field perturbs the path of the relativistic electrons, hence altering the dose deposited by them. Building on the previous work, the authors have developed a discontinuous finite element space-angle treatment of the linear Boltzmann transport equation to accurately account for the effects of magnetic fields on radiotherapy doses. Methods: The authors present a detailed description of their new formalism and compare its accuracy to GEANT4 Monte Carlo calculations for magnetic fields parallel and perpendicular to the radiation beam at field strengths of 0.5 and 3 T for an inhomogeneous 3D slab geometry phantom comprising water, bone, and air or lung. The accuracy of the authors’ new formalism was determined using a gamma analysis with a 2%/2 mm criterion. Results: Greater than 98.9% of all points analyzed passed the 2%/2 mm gamma criterion for the field strengths and orientations tested. The authors have benchmarked their new formalism against Monte Carlo in a challenging radiation transport problem with a high density material (bone) directly adjacent to a very low density material (dry air at STP) where the effects of the magnetic field dominate collisions. Conclusions: A discontinuous finite element space-angle approach has been proven to be an accurate method for solving the linear Boltzmann transport equation with magnetic fields for cases relevant to MRI guided radiotherapy. The authors have validated the accuracy of this novel technique against GEANT4, even in cases of strong magnetic field strengths and low density air.

  17. Polarised photon and flavoured lepton quantum Boltzmann equations in the early universe; Polarisierte Photon- und geflavourte Lepton-Quantenboltzmanngleichungen im fruehen Universum

    Energy Technology Data Exchange (ETDEWEB)

    Fidler, Christian

    2011-12-16

    Polarisation and Nongaussianity are expected to play a central role in future studies of the cosmic microwave background radiation. Polarisation can be split into a divergence-like E-mode and a curl-like B-mode, of which the later can only be induced by primordial gravitational waves (tensor fluctuations of the metric) at leading order. Nongaussianity is not generated at first order and is directly proportional to the primordial Nongaussianity of inflation. Thus B-mode polarisation and Nongaussianity constrain inflation models directly. While E-mode polarisation has already been detected and is being observed with increasing precision, B-mode polarisation and Nongaussianity remains elusive. The absence of B-mode polarisation when the primordial fluctuations are purely scalar holds, however, only in linear perturbation theory. B-mode polarisation is also generated from scalar sources in second order, which may constitute an important background to the search for primordial gravitational waves. While such an effect would naturally be expected to be relevant at tensor-to-scalar ratios of order 10{sup -5}, which is the size of perturbations in the microwave background, only a full second order calculation can tell whether there are no enhancements. For Nongaussianity the situation is analogous: At second order intrinsic Nongaussianities are induced to the spectrum, which may be an important background to the primordial Nongaussianity. After the full second-order Boltzmann equations for the cosmological evolution of the polarised radiation distribution have become available, I focused on the novel sources to B-mode polarisation that appear in the second-order collision term, which have not been calculated before. In my PHD thesis I developed a numerical code, which solves the second order Boltzmann hierarchy and calculates the C{sub l}{sup BB}-spectrum.

  18. Lattices for the lattice Boltzmann method.

    Science.gov (United States)

    Chikatamarla, Shyam S; Karlin, Iliya V

    2009-04-01

    A recently introduced theory of higher-order lattice Boltzmann models [Chikatamarla and Karlin, Phys. Rev. Lett. 97, 190601 (2006)] is elaborated in detail. A general theory of the construction of lattice Boltzmann models as an approximation to the Boltzmann equation is presented. New lattices are found in all three dimensions and are classified according to their accuracy (degree of approximation of the Boltzmann equation). The numerical stability of these lattices is argued based on the entropy principle. The efficiency and accuracy of many new lattices are demonstrated via simulations in all three dimensions.

  19. Lattice Boltzmann scheme for mixture modeling: analysis of the continuum diffusion regimes recovering Maxwell-Stefan model and incompressible Navier-Stokes equations.

    Science.gov (United States)

    Asinari, Pietro

    2009-11-01

    A finite difference lattice Boltzmann scheme for homogeneous mixture modeling, which recovers Maxwell-Stefan diffusion model in the continuum limit, without the restriction of the mixture-averaged diffusion approximation, was recently proposed [P. Asinari, Phys. Rev. E 77, 056706 (2008)]. The theoretical basis is the Bhatnagar-Gross-Krook-type kinetic model for gas mixtures [P. Andries, K. Aoki, and B. Perthame, J. Stat. Phys. 106, 993 (2002)]. In the present paper, the recovered macroscopic equations in the continuum limit are systematically investigated by varying the ratio between the characteristic diffusion speed and the characteristic barycentric speed. It comes out that the diffusion speed must be at least one order of magnitude (in terms of Knudsen number) smaller than the barycentric speed, in order to recover the Navier-Stokes equations for mixtures in the incompressible limit. Some further numerical tests are also reported. In particular, (1) the solvent and dilute test cases are considered, because they are limiting cases in which the Maxwell-Stefan model reduces automatically to Fickian cases. Moreover, (2) some tests based on the Stefan diffusion tube are reported for proving the complete capabilities of the proposed scheme in solving Maxwell-Stefan diffusion problems. The proposed scheme agrees well with the expected theoretical results.

  20. Electron attachment coefficient in low E/N regions and a discussion of discharge-instability in KrF laser. ; Analysis by logarithm transformed Boltzmann equation. Tei E/N ryoiki no denshi fuchaku keisu to KrF laser reiki hoden no fuanteisei ni kansuru ichi kosatsu. ; Tai su henkan Boltzmann hoteishiki ni yoru kaiseki

    Energy Technology Data Exchange (ETDEWEB)

    Kawakami, H.; Urabe, J.; Yukimura, K. (Doshisha Univ., Kyoto (Japan))

    1991-03-20

    In a discharge excitation rare gas halide excima laser, uniform generation and stable maintenance of the excited discharge determines the laser characteristics. In this report, an approximate solution was obtained on the Boltzmann equation (frequently used for the theoretical analysis of this laser) to examine the nature of the solution. By optimizing the conversion of the variables, calculation of an electron swarm parameter in the hitherto uncertain range of the low conversion electric field was made possible, giving a generation mechanism of the uncertainty of the excited dischareg. The results are summarized as below. (1) The Boltzmann equation gives a linear solution for a logarithmic value of an electron energy in the range of low conversion electric field. (2) Time-wise responce ability between the measured voltage, current characteristics of the excitation discharge was clarified and the attachment and ionization coefficients calculated by Boltzmann equation. (3) Dependency of the attachment coefficient on the partial pressure of fluorine and kripton was examined, and the attachment coefficient was found to increase with the increase of the partial pressure for the both cases. 20 refs., 9 figs., 2 tabs.

  1. Transport coefficients and cross sections for electrons in water vapour: Comparison of cross section sets using an improved Boltzmann equation solution

    Science.gov (United States)

    Ness, K. F.; Robson, R. E.; Brunger, M. J.; White, R. D.

    2012-01-01

    This paper revisits the issues surrounding computation of electron transport properties in water vapour as a function of E/n0 (the ratio of the applied electric field to the water vapour number density) up to 1200 Td. We solve the Boltzmann equation using an improved version of the code of Ness and Robson [Phys. Rev. A 38, 1446 (1988)], facilitating the calculation of transport coefficients to a considerably higher degree of accuracy. This allows a correspondingly more discriminating test of the various electron-water vapour cross section sets proposed by a number of authors, which has become an important issue as such sets are now being applied to study electron driven processes in atmospheric phenomena [P. Thorn, L. Campbell, and M. Brunger, PMC Physics B 2, 1 (2009)] and in modeling charged particle tracks in matter [A. Munoz, F. Blanco, G. Garcia, P. A. Thorn, M. J. Brunger, J. P. Sullivan, and S. J. Buckman, Int. J. Mass Spectrom. 277, 175 (2008)].

  2. Comparison of the lattice Boltzmann equation and discrete unified gas-kinetic scheme methods for direct numerical simulation of decaying turbulent flows.

    Science.gov (United States)

    Wang, Peng; Wang, Lian-Ping; Guo, Zhaoli

    2016-10-01

    The main objective of this work is to perform a detailed comparison of the lattice Boltzmann equation (LBE) and the recently developed discrete unified gas-kinetic scheme (DUGKS) methods for direct numerical simulation (DNS) of the decaying homogeneous isotropic turbulence and the Kida vortex flow in a periodic box. The flow fields and key statistical quantities computed by both methods are compared with those from the pseudospectral method at both low and moderate Reynolds numbers. The results show that the LBE is more accurate and efficient than the DUGKS, but the latter has a superior numerical stability, particularly for high Reynolds number flows. In addition, we conclude that the DUGKS can adequately resolve the flow when the minimum spatial resolution parameter k_{max}η>3, where k_{max} is the maximum resolved wave number and η is the flow Kolmogorov length. This resolution requirement can be contrasted with the requirements of k_{max}η>1 for the pseudospectral method and k_{max}η>2 for the LBE. It should be emphasized that although more validations should be conducted before the DUGKS can be called a viable tool for DNS of turbulent flows, the present work contributes to the overall assessment of the DUGKS, and it provides a basis for further applications of DUGKS in studying the physics of turbulent flows.

  3. Boltzmann equation analysis of electrons swarm parameters and properties of excited particle number densities in Xe/Ne plasmas. Laser absorption effect; Xe/Ne plasma chudenshi yuso keisu narabi ni reiki ryushisu mitsudo tokusei no Boltzmann hoteishiki kaiseki. Laser ko kyushu koka

    Energy Technology Data Exchange (ETDEWEB)

    Uchida, S.; Sugawara, H.; Ventzek, P.; Sakai, Y. [Hokkaido University, Sapporo (Japan)

    1998-06-01

    Xe/Ne plasmas are important for plasma display panels and VUV light sources. However, reactions between electrons and excited particles in the mixtures are so complicated that influence of the reactions on the plasma properties is not understood well. In this work, taking account of reactions through which electrons are produced, such as cumulative and Penning ionization, and of transition between excited levels, the electron and excited particle properties in Xe/Ne plasmas are calculated using the Boltzmann equation. The ionization coefficient and electron drift velocity agreed with experimental data. The influence of laser absorption in Xe/Ne plasmas on the plasma properties is also discussed. 25 refs., 15 figs.

  4. Relativistic Boltzmann theory for a plasma

    International Nuclear Information System (INIS)

    Erkelens, H. van.

    1984-01-01

    This thesis gives a self-contained treatment of the relativistic Boltzmann theory for a plasma. Here plasma means any mixture containing electrically charged particles. The relativistic Boltzmann equation is linearized for the case of a plasma. The Chapman-Enskog method is elaborated further for transport phenomena. Linear laws for viscous phenomena are derived. Then the collision term in the Boltzmann theory is dealt with. Using the transport equation, a kinetic theory of wave phenomena is developed and the dissipation of hydromagnetic waves in a relativistic plasma is investigated. In the final chapter, it is demonstrated how the relativistic Boltzmann theory can be applied in cosmology. In doing so, expressions are derived for the electric conductivity of the cosmological plasma in the lepton era, the plasma era and the annihilation era. (Auth.)

  5. Contribution to the solution of the multigroup Boltzmann equation by the determinist methods and the Monte Carlo method; Contribution a la resolution de l`equation de Bolztmann en multigroupe par les methodes deterministes et Monte-Carlo

    Energy Technology Data Exchange (ETDEWEB)

    Li, M

    1998-08-01

    In this thesis, two methods for solving the multigroup Boltzmann equation have been studied: the interface-current method and the Monte Carlo method. A new version of interface-current (IC) method has been develop in the TDT code at SERMA, where the currents of interface are represented by piecewise constant functions in the solid angle space. The convergence of this method to the collision probability (CP) method has been tested. Since the tracking technique is used for both the IC and CP methods, it is necessary to normalize he collision probabilities obtained by this technique. Several methods for this object have been studied and implemented in our code, we have compared their performances and chosen the best one as the standard choice. The transfer matrix treatment has been a long-standing difficulty for the multigroup Monte Carlo method: when the cross-sections are converted into multigroup form, important negative parts will appear in the angular transfer laws represented by low-order Legendre polynomials. Several methods based on the preservation of the first moments, such as the discrete angles methods and the equally-probable step function method, have been studied and implemented in the TRIMARAN-II code. Since none of these codes has been satisfactory, a new method, the non equally-probably step function method, has been proposed and realized in our code. The comparisons for these methods have been done in several aspects: the preservation of the moments required, the calculation of a criticality problem and the calculation of a neutron-transfer in water problem. The results have showed that the new method is the best one in all these comparisons, and we have proposed that it should be a standard choice for the multigroup transfer matrix. (author) 76 refs.

  6. Lattice Boltzmann approach for complex nonequilibrium flows.

    Science.gov (United States)

    Montessori, A; Prestininzi, P; La Rocca, M; Succi, S

    2015-10-01

    We present a lattice Boltzmann realization of Grad's extended hydrodynamic approach to nonequilibrium flows. This is achieved by using higher-order isotropic lattices coupled with a higher-order regularization procedure. The method is assessed for flow across parallel plates and three-dimensional flows in porous media, showing excellent agreement of the mass flow with analytical and numerical solutions of the Boltzmann equation across the full range of Knudsen numbers, from the hydrodynamic regime to ballistic motion.

  7. Elliptic flow in Pb+Pb collisions at √{s_{NN}} = 2.76 TeV at the LHC using Boltzmann transport equation with non-extensive statistics

    Science.gov (United States)

    Tripathy, Sushanta; Kumar Tiwari, Swatantra; Younus, Mohammed; Sahoo, Raghunath

    2018-03-01

    Elliptic flow in heavy-ion collisions is an important signature of a possible de-confinement transition from hadronic phase to partonic phase. In the present work, we use non-extensive statistics, which has been used for transverse momentum (pT) distribution in proton+proton ( p+p) collisions, as the initial particle distribution function in Boltzmann Transport Equation (BTE). A Boltzmann-Gibbs Blast Wave (BGBW) function is taken as an equilibrium function to get the final distribution to describe the particle production in heavy-ion collisions. In this formalism, we try to estimate the elliptic flow in Pb+Pb collisions at √{s_{NN}} = 2.76 TeV at the LHC for different centralities. The elliptic flow ( v2) of identified particles seems to be described quite well in the available pT range. An approach which combines the non-extensive nature of particle production in p+p collisions through an evolution in kinetic theory using BTE, with BGBW as an equilibrium distribution is successful in describing the spectra and elliptic flow in heavy-ion collisions.

  8. Transverse-momentum spectra and nuclear modification factor using Boltzmann Transport Equation with flow in Pb+Pb collisions at √(s{sub NN}) = 2.76 TeV

    Energy Technology Data Exchange (ETDEWEB)

    Tripathy, Sushanta; Khuntia, Arvind; Tiwari, Swatantra Kumar; Sahoo, Raghunath [Indian Institute of Technology Indore, Discipline of Physics, School of Basic Sciences, Indore (India)

    2017-05-15

    In the continuation of our previous work, the transverse-momentum (p{sub T}) spectra and nuclear modification factor (R{sub AA}) are derived using the relaxation time approximation of Boltzmann Transport Equation (BTE). The initial p{sub T}-distribution used to describe p + p collisions has been studied with the perturbative-Quantum Chromodynamics (pQCD) inspired power-law distribution, Hagedorn's empirical formula and with the Tsallis non-extensive statistical distribution. The non-extensive Tsallis distribution is observed to describe the complete range of the transverse-momentum spectra. The Boltzmann-Gibbs Blast Wave (BGBW) distribution is used as the equilibrium distribution in the present formalism, to describe the p{sub T}-distribution and nuclear modification factor in nucleus-nucleus collisions. The experimental data for Pb+Pb collisions at √(s{sub NN}) = 2.76 TeV at the Large Hadron Collider at CERN have been analyzed for pions, kaons, protons, K{sup *0} and φ. It is observed that the present formalism while explaining the transverse-momentum spectra up to 5 GeV/c, explains the nuclear modification factor very well up to 8 GeV/c in p{sub T} for all these particles except for protons. R{sub AA} is found to be independent of the degree of non-extensivity, q{sub pp} after p{sub T} ∝ 8 GeV/c. (orig.)

  9. Infrared and dc conductivity in metals with strong scattering: Nonclassical behavior from a generalized Boltzmann equation containing band-mixing effects

    International Nuclear Information System (INIS)

    Allen, P.B.; Chakraborty, B.

    1981-01-01

    Metals with high resistivity (approx.100 μΩ cm) seem to show weaker variation of resistivity (as a function of temperature and perhaps also static disorder) than predicted by semiclassical (Bloch-Boltzmann) theory (SBT). We argue that the effect is not closely related to Anderson localization, and therefore does not necessarily signify a failure of the independent collision approximation. Instead we propose a failure of the semiclassical acceleration and conduction approximations. A generalization of Boltzmann theory is made which includes quantum (interband) acceleration and conduction, as well as a complete treatment of interband-collision effects (within the independent-collision approximation). The interband terms enhance short-time response to E fields (because the theory satisfies the exact f-sum rule instead of the semiclassical approximation to it). This suggests that the additional conductivity, as expressed phenomenologically by the shunt resistor model, is explained by interband effects. The scattering operator is complex, its imaginary parts being related to energy-band renormalization caused by the disorder. Charge conservation is respected and thermal equilibrium is restored by the collision operator. The theory is formally solved for the leading corrections to SBT, which have the form of a shunt resistor model. At infrared frequencies, the conductivity mostly obeys the Drude law sigma(ω)approx.sigma(0)(1-iωtau) -1 , except for one term which goes as (1-iωtau) -2

  10. Chaotic Boltzmann machines

    Science.gov (United States)

    Suzuki, Hideyuki; Imura, Jun-ichi; Horio, Yoshihiko; Aihara, Kazuyuki

    2013-01-01

    The chaotic Boltzmann machine proposed in this paper is a chaotic pseudo-billiard system that works as a Boltzmann machine. Chaotic Boltzmann machines are shown numerically to have computing abilities comparable to conventional (stochastic) Boltzmann machines. Since no randomness is required, efficient hardware implementation is expected. Moreover, the ferromagnetic phase transition of the Ising model is shown to be characterised by the largest Lyapunov exponent of the proposed system. In general, a method to relate probabilistic models to nonlinear dynamics by derandomising Gibbs sampling is presented. PMID:23558425

  11. Immiscible multicomponent lattice Boltzmann model for fluids with ...

    Indian Academy of Sciences (India)

    Abstract. An immiscible multicomponent lattice Boltzmann model is developed for fluids with high relaxation time ratios, which is based on the model proposed by Shan and Chen (SC). In the SC model, an interaction potential between particles is incorporated into the discrete lattice. Boltzmann equation through the ...

  12. Limitations of Boltzmann's principle

    International Nuclear Information System (INIS)

    Lavenda, B.H.

    1995-01-01

    The usual form of Boltzmann's principle assures that maximum entropy, or entropy reduction, occurs with maximum probability, implying a unimodal distribution. Boltzmann's principle cannot be applied to nonunimodal distributions, like the arcsine law, because the entropy may be concave only over a limited portion of the interval. The method of subordination shows that the arcsine distribution corresponds to a process with a single degree of freedom, thereby confirming the invalidation of Boltzmann's principle. The fractalization of time leads to a new distribution in which arcsine and Cauchy distributions can coexist simultaneously for nonintegral degrees of freedom between √2 and 2

  13. Boltzmann-Electron Model in Aleph.

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, Thomas Patrick; Hooper, Russell

    2014-11-01

    We apply the Boltzmann-electron model in the electrostatic, particle-in-cell, finite- element code Aleph to a plasma sheath. By assuming a Boltzmann energy distribution for the electrons, the model eliminates the need to resolve the electron plasma fre- quency, and avoids the numerical "grid instability" that can cause unphysical heating of electrons. This allows much larger timesteps to be used than with kinetic electrons. Ions are treated with the standard PIC algorithm. The Boltzmann-electron model re- quires solution of a nonlinear Poisson equation, for which we use an iterative Newton solver (NOX) from the Trilinos Project. Results for the spatial variation of density and voltage in the plasma sheath agree well with an analytic model

  14. Navier-Stokes Dynamics by a Discrete Boltzmann Model

    Science.gov (United States)

    Rubinstein, Robet

    2010-01-01

    This work investigates the possibility of particle-based algorithms for the Navier-Stokes equations and higher order continuum approximations of the Boltzmann equation; such algorithms would generalize the well-known Pullin scheme for the Euler equations. One such method is proposed in the context of a discrete velocity model of the Boltzmann equation. Preliminary results on shock structure are consistent with the expectation that the shock should be much broader than the near discontinuity predicted by the Pullin scheme, yet narrower than the prediction of the Boltzmann equation. We discuss the extension of this essentially deterministic method to a stochastic particle method that, like DSMC, samples the distribution function rather than resolving it completely.

  15. Gli atomi di Boltzmann

    CERN Document Server

    Lindley, David

    2002-01-01

    Ludwig Boltzmann (1844-1906) è il fisico e matematico austriaco che negli ultimi decenni dell'Ottocento e ancora ai primi del Novecento lottò contro l'opinione dominante tra gli scienziati dell'epoca per affermare la teoria atomica della materia. È noto come con Albert Einstein e fino a oggi la fisica si sia sviluppata e abbia celebrato i propri trionfi lungo le linee anticipate da Boltzmann. La controversia con Mach non riguardava soltanto l'esistenza degli atomi, ma l'intero modo di fare fisica che Boltzmann non riteneva di dover limitare allo studio di quantità misurabili, introducendo invece spiegazioni più elaborate basate su ipotesi più ampie.

  16. Maxwell iteration for the lattice Boltzmann method with diffusive scaling

    Science.gov (United States)

    Zhao, Weifeng; Yong, Wen-An

    2017-03-01

    In this work, we present an alternative derivation of the Navier-Stokes equations from Bhatnagar-Gross-Krook models of the lattice Boltzmann method with diffusive scaling. This derivation is based on the Maxwell iteration and can expose certain important features of the lattice Boltzmann solutions. Moreover, it will be seen to be much more straightforward and logically clearer than the existing approaches including the Chapman-Enskog expansion.

  17. Implicitly charge-conserving solver for Boltzmann electrons

    International Nuclear Information System (INIS)

    Carlsson, Johan; Manente, Marco; Pavarin, Daniele

    2009-01-01

    An implicitly charge-conserving algorithm has been developed for solving the nonlinear Poisson equation that results from the use of Boltzmann electrons. The new algorithm solves for the Boltzmann density parameter and, in the case of a Neumann boundary condition, the surface-charge density, simultaneously as it solves for the discretized electrostatic potential. Numerical stability is demonstrated for time steps exceeding the electron plasma period and spatial resolutions much coarser than the Debye length.

  18. Training Restricted Boltzmann Machines

    DEFF Research Database (Denmark)

    Fischer, Asja

    Restricted Boltzmann machines (RBMs) are probabilistic graphical models that can also be interpreted as stochastic neural networks. Training RBMs is known to be challenging. Computing the likelihood of the model parameters or its gradient is in general computationally intensive. Thus, training...

  19. Entropy a la Boltzmann

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 9. Entropy à la Boltzmann. Jayanta K Bhattacharjee. General Article Volume 6 Issue 9 September 2001 pp 19-34. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/006/09/0019-0034. Author Affiliations.

  20. Entropy à la Boltzmann

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 9. Entropy à la Boltzmann. Jayanta K Bhattacharjee. General Article Volume 6 Issue 9 September 2001 pp 19-34. Fulltext. Click here to view fulltext PDF. Permanent link: https://www.ias.ac.in/article/fulltext/reso/006/09/0019-0034 ...

  1. A Unified Theory of Non-Ideal Gas Lattice Boltzmann Models

    Science.gov (United States)

    Luo, Li-Shi

    1998-01-01

    A non-ideal gas lattice Boltzmann model is directly derived, in an a priori fashion, from the Enskog equation for dense gases. The model is rigorously obtained by a systematic procedure to discretize the Enskog equation (in the presence of an external force) in both phase space and time. The lattice Boltzmann model derived here is thermodynamically consistent and is free of the defects which exist in previous lattice Boltzmann models for non-ideal gases. The existing lattice Boltzmann models for non-ideal gases are analyzed and compared with the model derived here.

  2. Non-equilibrium effects of diatomic and polyatomic gases on the shock-vortex interaction based on the second-order constitutive model of the Boltzmann-Curtiss equation

    Science.gov (United States)

    Singh, S.; Karchani, A.; Myong, R. S.

    2018-01-01

    The rotational mode of molecules plays a critical role in the behavior of diatomic and polyatomic gases away from equilibrium. In order to investigate the essence of the non-equilibrium effects, the shock-vortex interaction problem was investigated by employing an explicit modal discontinuous Galerkin method. In particular, the first- and second-order constitutive models for diatomic and polyatomic gases derived rigorously from the Boltzmann-Curtiss kinetic equation were solved in conjunction with the physical conservation laws. As compared with a monatomic gas, the non-equilibrium effects result in a substantial change in flow fields in both macroscale and microscale shock-vortex interactions. Specifically, the computational results showed three major effects of diatomic and polyatomic gases on the shock-vortex interaction: (i) the generation of the third sound waves and additional reflected shock waves with strong and enlarged expansion, (ii) the dominance of viscous vorticity generation, and (iii) an increase in enstrophy with increasing bulk viscosity, related to the rotational mode of gas molecules. Moreover, it was shown that there is a significant discrepancy in flow fields between the microscale and macroscale shock-vortex interactions in diatomic and polyatomic gases. The quadrupolar acoustic wave source structures, which are typically observed in macroscale shock-vortex interactions, were not found in any microscale shock-vortex interactions. The physics of the shock-vortex interaction was also investigated in detail to examine vortex deformation and evolution dynamics over an incident shock wave. A comparative study of first- and second-order constitutive models was also conducted for the enstrophy and dissipation rate. Finally, the study was extended to the shock-vortex pair interaction case to examine the effects of pair interaction on vortex deformation and evolution dynamics.

  3. L2-stability of the Vlasov-Maxwell-Boltzmann system near global Maxwellians

    International Nuclear Information System (INIS)

    Ha, Seung-Yeal; Xiao, Qinghua; Xiong, Linjie; Zhao, Huijiang

    2013-01-01

    We present a L 2 -stability theory of the Vlasov-Maxwell-Boltzmann system for the two-species collisional plasma. We show that in a perturbative regime of a global Maxwellian, the L 2 -distance between two strong solutions can be controlled by that between initial data in a Lipschitz manner. Our stability result extends earlier results [Ha, S.-Y. and Xiao, Q.-H., “A revisiting to the L 2 -stability theory of the Boltzmann equation near global Maxwellians,” (submitted) and Ha, S.-Y., Yang, X.-F., and Yun, S.-B., “L 2 stability theory of the Boltzmann equation near a global Maxwellian,” Arch. Ration. Mech. Anal. 197, 657–688 (2010)] on the L 2 -stability of the Boltzmann equation to the Boltzmann equation coupled with self-consistent external forces. As a direct application of our stability result, we show that classical solutions in Duan et al. [“Optimal large-time behavior of the Vlasov-Maxwell-Boltzmann system in the whole space,” Commun. Pure Appl. Math. 24, 1497–1546 (2011)] and Guo [“The Vlasov-Maxwell-Boltzmann system near Maxwellians,” Invent. Math. 153(3), 593–630 (2003)] satisfy a uniform L 2 -stability estimate. This is the first result on the L 2 -stability of the Boltzmann equation coupled with self-consistent field equations in three dimensions

  4. Scattering theory of the linear Boltzmann operator

    International Nuclear Information System (INIS)

    Hejtmanek, J.

    1975-01-01

    In time dependent scattering theory we know three important examples: the wave equation around an obstacle, the Schroedinger and the Dirac equation with a scattering potential. In this paper another example from time dependent linear transport theory is added and considered in full detail. First the linear Boltzmann operator in certain Banach spaces is rigorously defined, and then the existence of the Moeller operators is proved by use of the theorem of Cook-Jauch-Kuroda, that is generalized to the case of a Banach space. (orig.) [de

  5. The Boltzmann project

    Science.gov (United States)

    Fischer, J.; Fellmuth, B.; Gaiser, C.; Zandt, T.; Pitre, L.; Sparasci, F.; Plimmer, M. D.; de Podesta, M.; Underwood, R.; Sutton, G.; Machin, G.; Gavioso, R. M.; Madonna Ripa, D.; Steur, P. P. M.; Qu, J.; Feng, X. J.; Zhang, J.; Moldover, M. R.; Benz, S. P.; White, D. R.; Gianfrani, L.; Castrillo, A.; Moretti, L.; Darquié, B.; Moufarej, E.; Daussy, C.; Briaudeau, S.; Kozlova, O.; Risegari, L.; Segovia, J. J.; Martín, M. C.; del Campo, D.

    2018-04-01

    The International Committee for Weights and Measures (CIPM), at its meeting in October 2017, followed the recommendation of the Consultative Committee for Units (CCU) on the redefinition of the kilogram, ampere, kelvin and mole. For the redefinition of the kelvin, the Boltzmann constant will be fixed with the numerical value 1.380 649  ×  10-23 J K-1. The relative standard uncertainty to be transferred to the thermodynamic temperature value of the triple point of water will be 3.7  ×  10-7, corresponding to an uncertainty in temperature of 0.10 mK, sufficiently low for all practical purposes. With the redefinition of the kelvin, the broad research activities of the temperature community on the determination of the Boltzmann constant have been very successfully completed. In the following, a review of the determinations of the Boltzmann constant k, important for the new definition of the kelvin and performed in the last decade, is given.

  6. The fundamental and universal nature of Boltzmann`s constant

    Energy Technology Data Exchange (ETDEWEB)

    Biedenharn, L.C. [Univ. of Texas, Austin, TX (United States); Solem, J.C. [Los Alamos National Lab., NM (United States). Theoretical Div.

    1996-07-01

    The nature of Boltzmann`s constant is very unclear in the physics literature. In the first part of this paper, on general considerations, the authors examine this situation in detail and demonstrate the conclusion that Boltzmann`s constant is indeed both fundamental and universal. As a consequence of their development they find there is an important implication of this work for the problem of the entropy of information. In the second part they discuss, Szilard`s famous construction showing in detail how his result is incompatible with the demonstrations in both parts 1 and 2.

  7. Mathematical model of Boltzmann's sigmoidal equation applicable ...

    Indian Academy of Sciences (India)

    Ingeniería-Química, COARA—Universidad Autónoma de San Luis Potosí, Matehuala, San Luis Potosí, Mexico; Instituto Politécnico Nacional, CICATA Legaria, Calzada Legaria No. 694, Colonia Irrigación, 11500 Ciudad de México, Mexico; Departamento de Ingeniería Agrícola, DICIVA, Universidad de Guanajuato, Campus ...

  8. Mathematical model of Boltzmann's sigmoidal equation applicable ...

    Indian Academy of Sciences (India)

    2017-08-18

    Aug 18, 2017 ... 1Ingeniería-Química, COARA—Universidad Autónoma de San Luis Potosí, Matehuala, San Luis Potosí, Mexico. 2Instituto Politécnico Nacional, CICATA Legaria, Calzada Legaria No. 694, Colonia Irrigación, 11500 Ciudad de México,. Mexico. 3Departamento de Ingeniería Agrícola, DICIVA, Universidad de ...

  9. Mathematical model of Boltzmann's sigmoidal equation applicable ...

    Indian Academy of Sciences (India)

    2017-08-18

    Aug 18, 2017 ... deposits of BST on substrates of nichrome under the same experimental conditions, showing differences in the ratio Ba/Sr of the BST due to ... process conditions to be expected to control crosslinking so as to make the best ... value of the independent variable, the function is continuous; on the other hand, ...

  10. Mathematical model of Boltzmann's sigmoidal equation applicable ...

    Indian Academy of Sciences (India)

    boms/040/05/1043- ... J RESÉNDIZ-MUÑOZ1 M A CORONA-RIVERA1 J L FERNÁNDEZ-MUÑOZ2 M ZAPATA-TORRES2 A MÁRQUEZ-HERRERA3 V M OVANDO-MEDINA1. Ingeniería-Química, COARA—Universidad Autónoma de San Luis ...

  11. Nonequilibrium phenomena in QCD and BEC. Boltzmann and beyond

    Energy Technology Data Exchange (ETDEWEB)

    Stockamp, T.

    2006-12-22

    In chapter 2 we chose the real time formalism to discuss some basic principles in quantum field theory at finite temperature. This enables us to derive the quantum Boltzmann equation from the Schwinger-Dyson series. We then shortly introduce the basic concepts of QCD which are needed to understand the physics of QGP formation. After a detailed account on the bottom-up scenario we show the consistency of this approach by a diagramatical analysis of the relevant Boltzmann collision integrals. Chapter 3 deals with BEC dynamics out of equilibrium. After an introduction to the fundamental theoretical tool - namely the Gross-Pitaevskii equation - we focus on a generalization to finite temperature developed by Zaremba, Nikuni and Griffin (ZNG). These authors use a Boltzmann equation to describe the interactions between condensed and excited atoms and manage in this way to describe condensate growth. We then turn to a discussion on the 2PI effective action and derive equations of motion for a relativistic scalar field theory. In the nonrelativistic limit these equations are shown to coincide with the ZNG theory when a quasiparticle approximation is applied. Finally, we perform a numerical analysis of the full 2PI equations. These remain valid even at strong coupling and far from equilibrium, and thus go far beyond Boltzmann's approach. For simplicity, we limit ourselves to a homogeneous system and present the first 3+1 dimensional study of condensate melting. (orig.)

  12. Poisson-Boltzmann versus Size-Modified Poisson-Boltzmann Electrostatics Applied to Lipid Bilayers.

    Science.gov (United States)

    Wang, Nuo; Zhou, Shenggao; Kekenes-Huskey, Peter M; Li, Bo; McCammon, J Andrew

    2014-12-26

    Mean-field methods, such as the Poisson-Boltzmann equation (PBE), are often used to calculate the electrostatic properties of molecular systems. In the past two decades, an enhancement of the PBE, the size-modified Poisson-Boltzmann equation (SMPBE), has been reported. Here, the PBE and the SMPBE are reevaluated for realistic molecular systems, namely, lipid bilayers, under eight different sets of input parameters. The SMPBE appears to reproduce the molecular dynamics simulation results better than the PBE only under specific parameter sets, but in general, it performs no better than the Stern layer correction of the PBE. These results emphasize the need for careful discussions of the accuracy of mean-field calculations on realistic systems with respect to the choice of parameters and call for reconsideration of the cost-efficiency and the significance of the current SMPBE formulation.

  13. Essentially Entropic Lattice Boltzmann Model

    Science.gov (United States)

    Atif, Mohammad; Kolluru, Praveen Kumar; Thantanapally, Chakradhar; Ansumali, Santosh

    2017-12-01

    The entropic lattice Boltzmann model (ELBM), a discrete space-time kinetic theory for hydrodynamics, ensures nonlinear stability via the discrete time version of the second law of thermodynamics (the H theorem). Compliance with the H theorem is numerically enforced in this methodology and involves a search for the maximal discrete path length corresponding to the zero dissipation state by iteratively solving a nonlinear equation. We demonstrate that an exact solution for the path length can be obtained by assuming a natural criterion of negative entropy change, thereby reducing the problem to solving an inequality. This inequality is solved by creating a new framework for construction of Padé approximants via quadrature on appropriate convex function. This exact solution also resolves the issue of indeterminacy in case of nonexistence of the entropic involution step. Since our formulation is devoid of complex mathematical library functions, the computational cost is drastically reduced. To illustrate this, we have simulated a model setup of flow over the NACA-0012 airfoil at a Reynolds number of 2.88 ×106.

  14. Lattice Boltzmann simulation of antiplane shear loading of a stationary crack

    Science.gov (United States)

    Schlüter, Alexander; Kuhn, Charlotte; Müller, Ralf

    2018-01-01

    In this work, the lattice Boltzmann method is applied to study the dynamic behaviour of linear elastic solids under antiplane shear deformation. In this case, the governing set of partial differential equations reduces to a scalar wave equation for the out of plane displacement in a two dimensional domain. The lattice Boltzmann approach developed by Guangwu (J Comput Phys 161(1):61-69, 2000) in 2006 is used to solve the problem numerically. Some aspects of the scheme are highlighted, including the treatment of the boundary conditions. Subsequently, the performance of the lattice Boltzmann scheme is tested for a stationary crack problem for which an analytic solution exists. The treatment of cracks is new compared to the examples that are discussed in Guangwu's work. Furthermore, the lattice Boltzmann simulations are compared to finite element computations. Finally, the influence of the lattice Boltzmann relaxation parameter on the stability of the scheme is illustrated.

  15. Lattice Boltzmann model for numerical relativity.

    Science.gov (United States)

    Ilseven, E; Mendoza, M

    2016-02-01

    In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems.

  16. Parameter Space: The Final Frontier. Certified Reduced Basis Methods for Real-Time Reliable Solution of Parametrized Partial Differential Equations

    National Research Council Canada - National Science Library

    Patera, Anthony T

    2007-01-01

    .... Typical equations and applications of interest include Density Functional Theory for solid state property calculations, the Boltzmann equation for microscale gas flows, the Navier-Stokes equations...

  17. Large Time Behavior of the Vlasov-Poisson-Boltzmann System

    Directory of Open Access Journals (Sweden)

    Li Li

    2013-01-01

    Full Text Available The motion of dilute charged particles can be modeled by Vlasov-Poisson-Boltzmann system. We study the large time stability of the VPB system. To be precise, we prove that when time goes to infinity, the solution of VPB system tends to global Maxwellian state in a rate Ot−∞, by using a method developed for Boltzmann equation without force in the work of Desvillettes and Villani (2005. The improvement of the present paper is the removal of condition on parameter λ as in the work of Li (2008.

  18. Lattice Boltzmann method with the cell-population equilibrium

    International Nuclear Information System (INIS)

    Zhou Xiaoyang; Cheng Bing; Shi Baochang

    2008-01-01

    The central problem of the lattice Boltzmann method (LBM) is to construct a discrete equilibrium. In this paper, a multi-speed 1D cell-model of Boltzmann equation is proposed, in which the cell-population equilibrium, a direct non-negative approximation to the continuous Maxwellian distribution, plays an important part. By applying the explicit one-order Chapman–Enskog distribution, the model reduces the transportation and collision, two basic evolution steps in LBM, to the transportation of the non-equilibrium distribution. Furthermore, 1D dam-break problem is performed and the numerical results agree well with the analytic solutions

  19. Aplicação da equação de Poisson-Boltzmann ao cálculo de propriedades dependentes do pH em proteínas Aplications of the Poisson-Boltzmann equation to the calculation of pH-dependent properties in proteins

    Directory of Open Access Journals (Sweden)

    Thereza A. Soares

    2004-08-01

    Full Text Available The ability of biomolecules to catalyze chemical reactions is due chiefly to their sensitivity to variations of the pH in the surrounding environment. The reason for this is that they are made up of chemical groups whose ionization states are modulated by pH changes that are of the order of 0.4 units. The determination of the protonation states of such chemical groups as a function of conformation of the biomolecule and the pH of the environment can be useful in the elucidation of important biological processes from enzymatic catalysis to protein folding and molecular recognition. In the past 15 years, the theory of Poisson-Boltzmann has been successfully used to estimate the pKa of ionizable sites in proteins yielding results, which may differ by 0.1 unit from the experimental values. In this study, we review the theory of Poisson-Boltzmann under the perspective of its application to the calculation of pKa in proteins.

  20. Ludwig Boltzmann, mechanics and vitalism

    International Nuclear Information System (INIS)

    Broda, E.

    1990-01-01

    During most of his life Boltzmann considered classical mechanics, based on the ideas of material points and central forces, as the fundament of physics. On this basis he became one of the founders of Statistical Mechanics, through which thermodynamics was interpreted on an atomistic basis. In this work, Boltzmann was opposed by his colleague, Ernst Mach. Boltzmann also devoted much work to attempts to interpret Maxwell's theory of the electromagnetic field, of which he was a main protagonist in Central Europe, through mechanics. However, as a supporter of mechanics Boltzmann was by no means dogmatic. While he was adamant in his rejection of Wilhelm Ostwald's energism, he was openminded in respect to the relationship of mechanics, electromagnetism and atomistics. Personally, Boltzmann wanted to conserve and transmit the enormous achievements of mechanics, especially in connection with the mechanical theory of heat, so that these results should not be lost to future generations, but he encouraged attempts to proceed in new directions. While within the framework of statistical mechanics the atoms were treated like the material points of classical mechanics, Boltzmann resisted the initial, unwarranted, ideas about the structure and the properties of the atoms. When later valid ideas were evolved, Boltzmann warmly welcomed this progress, without however personally taking part in the new developments. In his later years, Boltzmann took an intense interest in biology. He supported Darwin's theories, and he contributed to them. He may be called an 'absolute Darwinist'. In his search for a natural explanation of the phenomena of life, he used the term 'mechanical', without meaning to limit them to the realm of classical mechanics. This terminological laxity is considered as unfortunate. Extending his application of Darwinian principles to advanced species, including man, Boltzmann put forward 'mechanical' explanations of thought

  1. Entropic lattice Boltzmann representations required to recover Navier-Stokes flows.

    Science.gov (United States)

    Keating, Brian; Vahala, George; Yepez, Jeffrey; Soe, Min; Vahala, Linda

    2007-03-01

    There are two disparate formulations of the entropic lattice Boltzmann scheme: one of these theories revolves around the analog of the discrete Boltzmann H function of standard extensive statistical mechanics, while the other revolves around the nonextensive Tsallis entropy. It is shown here that it is the nonenforcement of the pressure tensor moment constraints that lead to extremizations of entropy resulting in Tsallis-like forms. However, with the imposition of the pressure tensor moment constraint, as is fundamentally necessary for the recovery of the Navier-Stokes equations, it is proved that the entropy function must be of the discrete Boltzmann form. Three-dimensional simulations are performed which illustrate some of the differences between standard lattice Boltzmann and entropic lattice Boltzmann schemes, as well as the role played by the number of phase-space velocities used in the discretization.

  2. Adaptive Non-Boltzmann Monte Carlo

    International Nuclear Information System (INIS)

    Fitzgerald, M.; Picard, R.R.; Silver, R.N.

    1998-01-01

    This manuscript generalizes the use of transition probabilities (TPs) between states, which are efficient relative to histogram procedures in deriving system properties. The empirical TPs of the simulation depend on the importance weights and are temperature-specific, so they are not conducive to accumulating statistics as weights change or to extrapolating in temperature. To address these issues, the authors provide a method for inferring Boltzmann-weighted TPs for one temperature from simulations run at other temperatures and/or at different adaptively varying importance weights. They refer to these as canonical transition probabilities (CTPs). System properties are estimated from CTPs. Statistics on CTPs are gathered by inserting a low-cost easily-implemented bookkeeping step into the Metropolis algorithm for non-Boltzmann sampling. The CTP method is inherently adaptive, can take advantage of partitioning of the state space into small regions using either serial or (embarrassingly) parallel architectures, and reduces variance by avoiding histogramming. They also demonstrate how system properties may be extrapolated in temperature from CTPs without the extra memory required by using energy as a microstate label. Nor does it require the solution of non-linear equations used in histogram methods

  3. On the Boltzmann-Grad Limit for Smooth Hard-Sphere Systems

    Science.gov (United States)

    Tessarotto, Massimo; Cremaschini, Claudio; Mond, Michael; Asci, Claudio; Soranzo, Alessandro; Tironi, Gino

    2018-03-01

    The problem is posed of the prescription of the so-called Boltzmann-Grad limit operator (L_{BG}) for the N-body system of smooth hard-spheres which undergo unary, binary as well as multiple elastic instantaneous collisions. It is proved, that, despite the non-commutative property of the operator L_{BG}, the Boltzmann equation can nevertheless be uniquely determined. In particular, consistent with the claim of Uffink and Valente (Found Phys 45:404, 2015) that there is "no time-asymmetric ingredient" in its derivation, the Boltzmann equation is shown to be time-reversal symmetric. The proof is couched on the "ab initio" axiomatic approach to the classical statistical mechanics recently developed (Tessarotto et al. in Eur Phys J Plus 128:32, 2013). Implications relevant for the physical interpretation of the Boltzmann H-theorem and the phenomenon of decay to kinetic equilibrium are pointed out.

  4. Lattice Boltzmann model for thermal binary-mixture gas flows.

    Science.gov (United States)

    Kang, Jinfen; Prasianakis, Nikolaos I; Mantzaras, John

    2013-05-01

    A lattice Boltzmann model for thermal gas mixtures is derived. The kinetic model is designed in a way that combines properties of two previous literature models, namely, (a) a single-component thermal model and (b) a multicomponent isothermal model. A comprehensive platform for the study of various practical systems involving multicomponent mixture flows with large temperature differences is constructed. The governing thermohydrodynamic equations include the mass, momentum, energy conservation equations, and the multicomponent diffusion equation. The present model is able to simulate mixtures with adjustable Prandtl and Schmidt numbers. Validation in several flow configurations with temperature and species concentration ratios up to nine is presented.

  5. Polar Coordinate Lattice Boltzmann Kinetic Modeling of Detonation Phenomena

    International Nuclear Information System (INIS)

    Lin Chuan-Dong; Li Ying-Jun; Xu Ai-Guo; Zhang Guang-Cai

    2014-01-01

    A novel polar coordinate lattice Boltzmann kinetic model for detonation phenomena is presented and applied to investigate typical implosion and explosion processes. In this model, the change of discrete distribution function due to local chemical reaction is dynamically coupled into the modified lattice Boltzmann equation which could recover the Navier—Stokes equations, including contribution of chemical reaction, via the Chapman—Enskog expansion. For the numerical investigations, the main focuses are the nonequilibrium behaviors in these processes. The system at the disc center is always in its thermodynamic equilibrium in the highly symmetric case. The internal kinetic energies in different degrees of freedom around the detonation front do not coincide. The dependence of the reaction rate on the pressure, influences of the shock strength and reaction rate on the departure amplitude of the system from its local thermodynamic equilibrium are probed. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  6. Lattice Boltzmann model for three-phase viscoelastic fluid flow

    Science.gov (United States)

    Xie, Chiyu; Lei, Wenhai; Wang, Moran

    2018-02-01

    A lattice Boltzmann (LB) framework is developed for simulation of three-phase viscoelastic fluid flows in complex geometries. This model is based on a Rothman-Keller type model for immiscible multiphase flows which ensures mass conservation of each component in porous media even for a high density ratio. To account for the viscoelastic effects, the Maxwell constitutive relation is correctly introduced into the momentum equation, which leads to a modified lattice Boltzmann evolution equation for Maxwell fluids by removing the normal but excess viscous term. Our simulation tests indicate that this excess viscous term may induce significant errors. After three benchmark cases, the displacement processes of oil by dispersed polymer are studied as a typical example of three-phase viscoelastic fluid flow. The results show that increasing either the polymer intrinsic viscosity or the elastic modulus will enhance the oil recovery.

  7. Saltwater Intrusion Simulation in Heterogeneous Aquifer Using Lattice Boltzmann Method

    Science.gov (United States)

    Servan-Camas, B.; Tsai, F. T.

    2006-12-01

    This study develops a saltwater intrusion simulation model using a lattice Boltzmann method (LBM) in a two- dimensional coastal confined aquifer. The saltwater intrusion phenomenon is described by density-varied groundwater flow and mass transport equations, where a freshwater-saltwater mixing zone is considered. Although primarily developed using the mesoscopic approach to solve macroscopic fluid dynamic problems (e.g. Navier-Stoke equation), LBM is able to be adopted to solve physical-based diffusion-type governing equations as for the groundwater flow and mass transport equations. The challenge of using LBM in saltwater intrusion modeling is to recover hydraulic conductivity heterogeneity. In this study, the Darcy equation and the advection-dispersion equation (ADE) are recovered in the lattice Boltzmann modeling. Specifically, the hydraulic conductivity heterogeneity is represented by the speed of sound in LBM. Under the consideration on the steady-state groundwater flow due to low storativity, in each time step the flow problem is modified to be a Poisson equation and solved by LBM. Nevertheless, the groundwater flow is still a time-marching problem with spatial-temporal variation in salinity concentration as well as density. The Henry problem is used to compare the LBM results against the Henry analytic solution and SUTRA result. Also, we show that LBM is capable of handling the Dirichlet, Neumann, and Cauchy concentration boundary conditions at the sea side. Finally, we compare the saltwater intrusion results using LBM in the Henry problem when heterogeneous hydraulic conductivity is considered.

  8. A lattice Boltzmann coupled to finite volumes method for solving phase change problems

    Directory of Open Access Journals (Sweden)

    El Ganaoui Mohammed

    2009-01-01

    Full Text Available A numerical scheme coupling lattice Boltzmann and finite volumes approaches has been developed and qualified for test cases of phase change problems. In this work, the coupled partial differential equations of momentum conservation equations are solved with a non uniform lattice Boltzmann method. The energy equation is discretized by using a finite volume method. Simulations show the ability of this developed hybrid method to model the effects of convection, and to predict transfers. Benchmarking is operated both for conductive and convective situation dominating solid/liquid transition. Comparisons are achieved with respect to available analytical solutions and experimental results.

  9. Extended lattice Boltzmann scheme for droplet combustion.

    Science.gov (United States)

    Ashna, Mostafa; Rahimian, Mohammad Hassan; Fakhari, Abbas

    2017-05-01

    The available lattice Boltzmann (LB) models for combustion or phase change are focused on either single-phase flow combustion or two-phase flow with evaporation assuming a constant density for both liquid and gas phases. To pave the way towards simulation of spray combustion, we propose a two-phase LB method for modeling combustion of liquid fuel droplets. We develop an LB scheme to model phase change and combustion by taking into account the density variation in the gas phase and accounting for the chemical reaction based on the Cahn-Hilliard free-energy approach. Evaporation of liquid fuel is modeled by adding a source term, which is due to the divergence of the velocity field being nontrivial, in the continuity equation. The low-Mach-number approximation in the governing Navier-Stokes and energy equations is used to incorporate source terms due to heat release from chemical reactions, density variation, and nonluminous radiative heat loss. Additionally, the conservation equation for chemical species is formulated by including a source term due to chemical reaction. To validate the model, we consider the combustion of n-heptane and n-butanol droplets in stagnant air using overall single-step reactions. The diameter history and flame standoff ratio obtained from the proposed LB method are found to be in good agreement with available numerical and experimental data. The present LB scheme is believed to be a promising approach for modeling spray combustion.

  10. Simulating Electric Double Layer Capacitance by Using Lattice Boltzmann Method

    Science.gov (United States)

    Sun, Ning; Gersappe, Dilip

    2015-03-01

    By using the Lattice Boltzmann Method (LBM) we studied diffuse-charge dynamics in electrochemical systems. We use the LBM to solve Poisson-Nernst-Planck equations (PNP) and Modified Poisson-Nernst-Planck equations (MPNP). The isotropic permittivity of electrolyte is modeled using the Booth model. The results show that both steric effect (MPNP) and isotropic permittivity (Booth model) can have large influence on diffuse-charge dynamics, especially when electrolyte concentration or applied potential is high. This model can be applied to simulate electric double layer capacitance of super capacitors with complex geometry and also incorporate other effects such as heat convection in a modular manner.

  11. Boltzmann-Fokker-Planck calculations using standard discrete-ordinates codes

    International Nuclear Information System (INIS)

    Morel, J.E.

    1987-01-01

    The Boltzmann-Fokker-Planck (BFP) equation can be used to describe both neutral and charged-particle transport. Over the past several years, the author and several collaborators have developed methods for representing Fokker-Planck operators with standard multigroup-Legendre cross-section data. When these data are input to a standard S/sub n/ code such as ONETRAN, the code actually solves the Boltzmann-Fokker-Planck equation rather than the Boltzmann equation. This is achieved wihout any modification to the S/sub n/ codes. Because BFP calculations can be more demanding from a numerical viewpoint than standard neutronics calculations, we have found it useful to implement new quadrature methods ad convergence acceleration methods in the standard discrete-ordinates code, ONETRAN. We discuss our BFP cross-section representation techniques, our improved quadrature and acceleration techniques, and present results from BFP coupled electron-photon transport calculations performed with ONETRAN. 19 refs., 7 figs

  12. Modeling of thermal processes proceeding in a thin gold film using the lattice Boltzmann method with interval source function

    Science.gov (United States)

    Piasecka-Belkhayat, Alicja; Korczak, Anna

    2018-01-01

    The interval coupled lattice Boltzmann equations for electrons and phonons are used to analyse the heating process of thin metal films. The interval lattice Boltzmann method (ILBM) with the uncertainly defined external source function associated with the laser irradiation is used to simulate the heat transfer. The solution of the interval Boltzmann transport equations has been obtained taking into account the rules of directed interval arithmetic. A similar analysis has been done using the sensitivity model where the Boltzmann transport equations and boundary-initial conditions have been differentiated with respect to the no-interval laser parameter. The knowledge of the sensitivity function distribution and the application of the Taylor formula allow one to find the border solutions of the problem analysed which correspond to the solution obtained assuming the uncertainly defined source function. In the final part of the paper the results of numerical computations obtained using both methods are presented.

  13. Methodology for obtaining a solution for the three-dimensional Boltzmann transport equation and an expression for the calculation of the total doses considering Compton scattering simulated by Klein-Nishina

    International Nuclear Information System (INIS)

    Rodriguez, Barbara A.; Borges, Volnei; Vilhena, Marco Tullio

    2005-01-01

    In this work we would like to obtain a formulation of an analytic method for the solution of the three dimensional transport equation considering Compton scattering and an expression for total doses due to gamma radiation, where the deposited energy by the free electron will be considered. For that, we will work with two equations: the first one for the photon transport, considering the Klein-Nishina kernel and energy multigroup model, and the second one considering the free electron with the screened Rutherford scattering. (author)

  14. A lattice Boltzmann model for solute transport in open channel flow

    Science.gov (United States)

    Wang, Hongda; Cater, John; Liu, Haifei; Ding, Xiangyi; Huang, Wei

    2018-01-01

    A lattice Boltzmann model of advection-dispersion problems in one-dimensional (1D) open channel flows is developed for simulation of solute transport and pollutant concentration. The hydrodynamics are calculated based on a previous lattice Boltzmann approach to solving the 1D Saint-Venant equations (LABSVE). The advection-dispersion model is coupled with the LABSVE using the lattice Boltzmann method. Our research recovers the advection-dispersion equations through the Chapman-Enskog expansion of the lattice Boltzmann equation. The model differs from the existing schemes in two points: (1) the lattice Boltzmann numerical method is adopted to solve the advection-dispersion problem by meso-scopic particle distribution; (2) and the model describes the relation between discharge, cross section area and solute concentration, which increases the applicability of the water quality model in practical engineering. The model is verified using three benchmark tests: (1) instantaneous solute transport within a short distance; (2) 1D point source pollution with constant velocity; (3) 1D point source pollution in a dam break flow. The model is then applied to a 50-year flood point source pollution accident on the Yongding River, which showed good agreement with a MIKE 11 solution and gauging data.

  15. Boltzmann factor and Hawking radiation

    International Nuclear Information System (INIS)

    Ryskin, Gregory

    2014-01-01

    Hawking radiation has thermal spectrum corresponding to the temperature T H =(8πM) −1 , where M is the mass (energy) of the black hole. Corrections to the Hawking radiation spectrum were discovered by Kraus and Wilczek (1995) and Parikh and Wilczek (2000). Here I show that these corrections follow directly from the basic principles of thermodynamics and statistical mechanics. In essence, it is the Boltzmann factor that ought to be corrected; corrections to the Hawking (or any other) radiation spectrum then follow necessarily

  16. Return of the Boltzmann brains

    Science.gov (United States)

    Page, Don N.

    2008-09-01

    Linde in J. Cosmol. Astropart. Phys.1475-7516 01 (2007) 02210.1088/1475-7516/2007/01/022 shows that some (though not all) versions of the global (volume-weighted) description avoid the “Boltzmann brain” problem raised by Page [Phys. Rev. D 78, 063535 (2008)] if the universe does not have a decay time less than 20 Gyr. Here I give an apparently natural version of the volume-weighted description in which the problem persists, highlighting the ambiguity of taking the ratios of infinite volumes that appear to arise from eternal inflation.

  17. Development and Application of a Coarse-Grained Model for PNIPAM by Iterative Boltzmann Inversion and Its Combination with Lattice Boltzmann Hydrodynamics.

    Science.gov (United States)

    Boţan, Vitalie; Ustach, Vincent D; Leonhard, Kai; Faller, Roland

    2017-11-16

    The polymer poly(N-isopropylacrylamide) (PNIPAM) is studied using a novel combination of multiscale modeling methodologies. We develop an iterative Boltzmann inversion potential of concentrated PNIPAM solutions and combine it with lattice Boltzmann as a Navier-Stokes equation solver for the solvent. We study in detail the influence of the methodology on statics and dynamics of the system. The combination is successful and significantly simpler and faster than other mapping techniques for polymer solution while keeping the correct hydrodynamics. The model can semiquantitatively describe the correct phase behavior and polymer dynamics.

  18. Lattice Boltzmann scheme for relativistic fluids

    OpenAIRE

    Mendoza, M.; Boghosian, B.; Herrmann, H. J.; Succi, S.

    2009-01-01

    A Lattice Boltzmann formulation for relativistic fluids is presented and numerically verified through quantitative comparison with recent hydrodynamic simulations of relativistic shock-wave propagation in viscous quark-gluon plasmas. This formulation opens up the possibility of exporting the main advantages of Lattice Boltzmann methods to the relativistic context, which seems particularly useful for the simulation of relativistic fluids in complicated geometries.

  19. Pruning Boltzmann networks and hidden Markov models

    DEFF Research Database (Denmark)

    Pedersen, Morten With; Stork, D.

    1996-01-01

    Boltzmann chains and hidden Markov models (HMMs), we argue that our method can be applied to HMMs as well. We illustrate pruning on Boltzmann zippers, which are equivalent to two HMMs with cross-connection links. We verify that our second-order approximation preserves the rank ordering of weight saliencies...

  20. Evaluation of a Particle Method for the Ellipsoidal Statistical Bhatnagar-Gross-Krook Equation (PREPRINT)

    National Research Council Canada - National Science Library

    Burt, Jonathan M; Boyd, Iain D

    2006-01-01

    ...) model of the Boltzmann equation. The method includes consideration of rotational nonequilibrium, and enforces exact momentum and energy conservation for a mixture involving monatomic and diatomic species...

  1. Evaluation of a Particle Method for the Ellipsoidal Statistical Bhatnagar-Gross-Krook Equation (POSTPRINT)

    National Research Council Canada - National Science Library

    Burt, Jonathan M; Boyd, Iain D

    2006-01-01

    ...) model of the Boltzmann equation. The method includes consideration of rotational nonequilibrium, and enforces exact momentum and energy conservation for a mixture involving monatomic and diatomic species...

  2. Boltzmann, Einstein, Natural Law and Evolution

    International Nuclear Information System (INIS)

    Broda, E.

    1980-01-01

    Like Boltzmann, Einstein was a protagonist of atomistics. As a physicist, he has been called Boltzmann's true successor. Also in epistemology, after overcoming the positivist influence of Mach, Einstein approached Boltzmann. Any difference between Boltzmann's realism, or even materialism, and Einstein's pantheism may be merely a matter of emphasis. Yet a real difference exists in another respect. Boltzmann explained man's power of thinking and feeling, his morality and his esthetic sense, on an evolutionary, Darwinian, basis. In contrast, evolution had no role in Einstein's thought, though Darwin was accepted by him. This lack of appreciation of the importance of evolution is now attributed to socio-political factors. (author)

  3. Simulating density-dependent flows using the lattice Boltzmann method

    Science.gov (United States)

    Bardsley, K. J.; Sukop, M. C.

    2008-12-01

    Seawater intrusion is a classic density-dependent problem in hydrogeology. It must be fully understood in order to be able to predict and prevent groundwater deterioration in coastal areas. All of the current programs used to study this issue are either finite difference or finite element methods. Density-dependent flow problems are exceptionally challenging for conventional numerical methods due to inherent non-linearity; definitive solutions are often elusive and a completely different modeling approach may be advantageous. The lattice Boltzmann method (LBM) represents such a numerical tool because it is not based on discretization of a series of differential equations. Instead, its foundation lies in the kinetic theory of gasses as proposed by Boltzmann. A key advantage of lattice Boltzmann method is that it has the ability to solve the Navier-Stokes equations in larger conduits and pores. Recent advances in lattice Boltzmann modeling permit simulation of large-scale density-dependent ground water flow and heat/solute transport. These simulations can be accomplished while retaining the advantages of 'regular' lattice Boltzmann methods, such as solute/heat transport at high Reynolds numbers. Hence it allows for eddy diffusion brought on by inertial components of flow at higher Reynolds numbers, which may occur in some coastal aquifers. This may prove to be an advantage for freshwater/seawater interface simulations especially given the highly macroporous nature of the aquifers underlying south Florida. Simulation of these phenomena is not possible with traditional Darcy's law-based groundwater models. Some geologists and engineers have been able to successfully apply LBM to fluid flow and contaminant transport problems. There are only a handful of scientists attempting to apply LBM to density-dependent flows in general; even fewer have considered seawater intrusion. We show how this method can be applied to density-dependent flows. We present two sets of results

  4. A large eddy lattice Boltzmann simulation of magnetohydrodynamic turbulence

    Science.gov (United States)

    Flint, Christopher; Vahala, George

    2018-02-01

    Large eddy simulations (LES) of a lattice Boltzmann magnetohydrodynamic (LB-MHD) model are performed for the unstable magnetized Kelvin-Helmholtz jet instability. This algorithm is an extension of Ansumali et al. [1] to MHD in which one performs first an expansion in the filter width on the kinetic equations followed by the usual low Knudsen number expansion. These two perturbation operations do not commute. Closure is achieved by invoking the physical constraint that subgrid effects occur at transport time scales. The simulations are in very good agreement with direct numerical simulations.

  5. Ludwig Boltzmann - The Man and His Work

    International Nuclear Information System (INIS)

    Broda, E.

    1982-01-01

    It is argued that Ludwig Boltzmann was, along with Newton and Maxwell, one of the three greatest theoretical physicists of classical times. It is less generally known that he was also a powerful realist-materialist philosopher and a keen opponent of Ernst Mach's positivism and of the philosophical idealism of Berkeley, Hegel and Schopenhauer. Boltzmann was also opposed to Kant. Moreover, he had a lively interest in biology and especially in Darwinian evolution, and he should be taken as one of the founders of biophysics. Boltzmann discussed the origin of life and of the mind. Finally, he also was a most vigorous, colourful and attractive person. (author)

  6. PB-AM: An open-source, fully analytical linear poisson-boltzmann solver

    Energy Technology Data Exchange (ETDEWEB)

    Felberg, Lisa E. [Department of Chemical and Biomolecular Engineering, University of California Berkeley, Berkeley California 94720; Brookes, David H. [Department of Chemistry, University of California Berkeley, Berkeley California 94720; Yap, Eng-Hui [Department of Systems and Computational Biology, Albert Einstein College of Medicine, Bronx New York 10461; Jurrus, Elizabeth [Division of Computational and Statistical Analytics, Pacific Northwest National Laboratory, Richland Washington 99352; Scientific Computing and Imaging Institute, University of Utah, Salt Lake City Utah 84112; Baker, Nathan A. [Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland Washington 99352; Division of Applied Mathematics, Brown University, Providence Rhode Island 02912; Head-Gordon, Teresa [Department of Chemical and Biomolecular Engineering, University of California Berkeley, Berkeley California 94720; Department of Chemistry, University of California Berkeley, Berkeley California 94720; Department of Bioengineering, University of California Berkeley, Berkeley California 94720; Chemical Sciences Division, Lawrence Berkeley National Labs, Berkeley California 94720

    2016-11-02

    We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized Poisson Boltzmann equation. The PB-AM software package includes the generation of outputs files appropriate for visualization using VMD, a Brownian dynamics scheme that uses periodic boundary conditions to simulate dynamics, the ability to specify docking criteria, and offers two different kinetics schemes to evaluate biomolecular association rate constants. Given that PB-AM defines mutual polarization completely and accurately, it can be refactored as a many-body expansion to explore 2- and 3-body polarization. Additionally, the software has been integrated into the Adaptive Poisson-Boltzmann Solver (APBS) software package to make it more accessible to a larger group of scientists, educators and students that are more familiar with the APBS framework.

  7. Normal and adjoint integral and integrodifferential neutron transport equations. Pt. 2

    International Nuclear Information System (INIS)

    Velarde, G.

    1976-01-01

    Using the simplifying hypotheses of the integrodifferential Boltzmann equations of neutron transport, given in JEN 334 report, several integral equations, and theirs adjoint ones, are obtained. Relations between the different normal and adjoint eigenfunctions are established and, in particular, proceeding from the integrodifferential Boltzmann equation it's found out the relation between the solutions of the adjoint equation of its integral one, and the solutions of the integral equation of its adjoint one (author)

  8. Simulating condensation on microstructured surfaces using Lattice Boltzmann Method

    Science.gov (United States)

    Alexeev, Alexander; Vasyliv, Yaroslav

    2017-11-01

    We simulate a single component fluid condensing on 2D structured surfaces with different wettability. To simulate the two phase fluid, we use the athermal Lattice Boltzmann Method (LBM) driven by a pseudopotential force. The pseudopotential force results in a non-ideal equation of state (EOS) which permits liquid-vapor phase change. To account for thermal effects, the athermal LBM is coupled to a finite volume discretization of the temperature evolution equation obtained using a thermal energy rate balance for the specific internal energy. We use the developed model to probe the effect of surface structure and surface wettability on the condensation rate in order to identify microstructure topographies promoting condensation. Financial support is acknowledged from Kimberly-Clark.

  9. Slip velocity and Knudsen layer in the lattice Boltzmann method for microscale flows.

    Science.gov (United States)

    Kim, Seung Hyun; Pitsch, Heinz; Boyd, Iain D

    2008-02-01

    We present mesoscopic fluid-wall interaction models for lattice Boltzmann (LB) model simulations of microscale flows. The exact solution of the slip velocity for the LB equation with the Bhatnagar-Gross-Krook collision operator is obtained for Poiseuille flow at finite Knudsen numbers. With a consistent definition of the Knudsen number, the slip coefficients of the LB equation with the standard D2Q9 scheme are found to be slightly larger than those of the Boltzmann equation with the same boundary condition, which makes the standard LB method remain quantitatively accurate only for small Knudsen numbers. By modifying the nonequilibrium energy flux or introducing the effective relaxation time, the LB method is analytically shown to reproduce the slip phenomena up to second order in the Knudsen number. For the standard LB method, the Knudsen layer is captured only with modification of the relaxation dynamics such as in the effective relaxation time model.

  10. A Novel Highly Efficient Scheme for the Boltzmann Equation

    Data.gov (United States)

    National Aeronautics and Space Administration — In fluid dynamics, the limits of continuum mechanics are surpassed when the mean free path of molecules becomes equivalent to the characteristic length scale. This...

  11. Coupling Boltzmann and Navier-Stokes equations by friction

    Energy Technology Data Exchange (ETDEWEB)

    Bourgat, J.F. [INRIA, Le Chesnay (France); Le Tallec, P. [Universite Paris, Dauphine (France)]|[INRIA, Le Chesnay (France); Tidriri, M.D. [ICASE, Hampton, VA (United States)

    1996-09-01

    The aim of this paper is to introduce and validate a coupled Navier-Stokes Boltzman approach for the calculation of hypersonic rarefied flows around maneuvering vehicles. The proposed strategy uses locally a kinetic model in the boundary layer coupled through wall friction forces to a global Navier-Stokes solver. Different numerical experiments illustrate the potentialities of the method. 29 refs., 24 figs.

  12. Computational Aeroacoustics Using the Generalized Lattice Boltzmann Equation, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The research proposed targets airframe noise (AFN) prediction and reduction. AFN originates from complex interactions of turbulent flow with airframe components that...

  13. A Truly Second-Order and Unconditionally Stable Thermal Lattice Boltzmann Method

    Directory of Open Access Journals (Sweden)

    Zhen Chen

    2017-03-01

    Full Text Available An unconditionally stable thermal lattice Boltzmann method (USTLBM is proposed in this paper for simulating incompressible thermal flows. In USTLBM, solutions to the macroscopic governing equations that are recovered from lattice Boltzmann equation (LBE through Chapman–Enskog (C-E expansion analysis are resolved in a predictor–corrector scheme and reconstructed within lattice Boltzmann framework. The development of USTLBM is inspired by the recently proposed simplified thermal lattice Boltzmann method (STLBM. Comparing with STLBM which can only achieve the first-order of accuracy in time, the present USTLBM ensures the second-order of accuracy both in space and in time. Meanwhile, all merits of STLBM are maintained by USTLBM. Specifically, USTLBM directly updates macroscopic variables rather than distribution functions, which greatly saves virtual memories and facilitates implementation of physical boundary conditions. Through von Neumann stability analysis, it can be theoretically proven that USTLBM is unconditionally stable. It is also shown in numerical tests that, comparing to STLBM, lower numerical error can be expected in USTLBM at the same mesh resolution. Four typical numerical examples are presented to demonstrate the robustness of USTLBM and its flexibility on non-uniform and body-fitted meshes.

  14. Lattice Boltzmann model capable of mesoscopic vorticity computation.

    Science.gov (United States)

    Peng, Cheng; Guo, Zhaoli; Wang, Lian-Ping

    2017-11-01

    It is well known that standard lattice Boltzmann (LB) models allow the strain-rate components to be computed mesoscopically (i.e., through the local particle distributions) and as such possess a second-order accuracy in strain rate. This is one of the appealing features of the lattice Boltzmann method (LBM) which is of only second-order accuracy in hydrodynamic velocity itself. However, no known LB model can provide the same quality for vorticity and pressure gradients. In this paper, we design a multiple-relaxation time LB model on a three-dimensional 27-discrete-velocity (D3Q27) lattice. A detailed Chapman-Enskog analysis is presented to illustrate all the necessary constraints in reproducing the isothermal Navier-Stokes equations. The remaining degrees of freedom are carefully analyzed to derive a model that accommodates mesoscopic computation of all the velocity and pressure gradients from the nonequilibrium moments. This way of vorticity calculation naturally ensures a second-order accuracy, which is also proven through an asymptotic analysis. We thus show, with enough degrees of freedom and appropriate modifications, the mesoscopic vorticity computation can be achieved in LBM. The resulting model is then validated in simulations of a three-dimensional decaying Taylor-Green flow, a lid-driven cavity flow, and a uniform flow passing a fixed sphere. Furthermore, it is shown that the mesoscopic vorticity computation can be realized even with single relaxation parameter.

  15. High order spectral difference lattice Boltzmann method for incompressible hydrodynamics

    Science.gov (United States)

    Li, Weidong

    2017-09-01

    This work presents a lattice Boltzmann equation (LBE) based high order spectral difference method for incompressible flows. In the present method, the spectral difference (SD) method is adopted to discretize the convection and collision term of the LBE to obtain high order (≥3) accuracy. Because the SD scheme represents the solution as cell local polynomials and the solution polynomials have good tensor-product property, the present spectral difference lattice Boltzmann method (SD-LBM) can be implemented on arbitrary unstructured quadrilateral meshes for effective and efficient treatment of complex geometries. Thanks to only first oder PDEs involved in the LBE, no special techniques, such as hybridizable discontinuous Galerkin method (HDG), local discontinuous Galerkin method (LDG) and so on, are needed to discrete diffusion term, and thus, it simplifies the algorithm and implementation of the high order spectral difference method for simulating viscous flows. The proposed SD-LBM is validated with four incompressible flow benchmarks in two-dimensions: (a) the Poiseuille flow driven by a constant body force; (b) the lid-driven cavity flow without singularity at the two top corners-Burggraf flow; and (c) the unsteady Taylor-Green vortex flow; (d) the Blasius boundary-layer flow past a flat plate. Computational results are compared with analytical solutions of these cases and convergence studies of these cases are also given. The designed accuracy of the proposed SD-LBM is clearly verified.

  16. Polyelectrolyte Microcapsules: Ion Distributions from a Poisson-Boltzmann Model

    Science.gov (United States)

    Tang, Qiyun; Denton, Alan R.; Rozairo, Damith; Croll, Andrew B.

    2014-03-01

    Recent experiments have shown that polystyrene-polyacrylic-acid-polystyrene (PS-PAA-PS) triblock copolymers in a solvent mixture of water and toluene can self-assemble into spherical microcapsules. Suspended in water, the microcapsules have a toluene core surrounded by an elastomer triblock shell. The longer, hydrophilic PAA blocks remain near the outer surface of the shell, becoming charged through dissociation of OH functional groups in water, while the shorter, hydrophobic PS blocks form a networked (glass or gel) structure. Within a mean-field Poisson-Boltzmann theory, we model these polyelectrolyte microcapsules as spherical charged shells, assuming different dielectric constants inside and outside the capsule. By numerically solving the nonlinear Poisson-Boltzmann equation, we calculate the radial distribution of anions and cations and the osmotic pressure within the shell as a function of salt concentration. Our predictions, which can be tested by comparison with experiments, may guide the design of microcapsules for practical applications, such as drug delivery. This work was supported by the National Science Foundation under Grant No. DMR-1106331.

  17. A Boltzmann Transport Simulation Using Open Source Physics

    Science.gov (United States)

    Hasbun, Javier

    2004-03-01

    The speed of a charged particle, under an applied electric field, in a conducting media, is, usually, simply modelled by writing Newton's 2nd law in the form mfrac ddtv=qE-mfrac vτ ; (1), where v is the speed, E is the applied electric field, q is the charge, m is the mass, and τ is the scattering time between collisions. Here, we simulate a numerical solution of the Boltzmann transport equation,frac partial partial tf+ vot nabla _rf+Fot nabla _pf=frac partial partial tf|_coll (2), where in general the Boltzmann distribution function f=f(r,p,t) depends on position, momentum, and time. Our numerical solution is made possible by neglecting the 2nd term on the LHS, and by modelling the RHS collision term as fracpartial partial tf|_coll=-frac 1τ . With these approximations, in addition to considering only one dimension, we find, our numerical solution of (2). The average velocity numerically obtained through the resulting distribution is compared to that obtained by the analytic solution of (1). An efficient method of carrying out the numerical solution of (2) due to P. Drallos and M. Wadehra [Journal of Applied Physics 63, 5601(1988)] is incorporated here. A final version of an applet that performs the full Java simulation will be located at http://www.westga.edu/ jhasbun/osp/osp.htm.

  18. Element Free Lattice Boltzmann Method for Fluid-Flow Problems

    Energy Technology Data Exchange (ETDEWEB)

    Jo, Jong Chull; Roh, Kyung Wan; Yune, Young Gill; Kim, Hho Jhung [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of); Kwon, Young Kwon [US Naval Postgraduate School, New York (United States)

    2007-10-15

    The Lattice Boltzmann Method (LBM) has been developed for application to thermal-fluid problems. Most of the those studies considered a regular shape of lattice or mesh like square and cubic grids. In order to apply the LBM to more practical cases, it is necessary to be able to solve complex or irregular shapes of problem domains. Some techniques were based on the finite element method. Generally, the finite element method is very powerful for solving two or three-dimensional complex or irregular shapes of domains using the iso-parametric element formulation which is based on a mathematical mapping from a regular shape of element in an imaginary domain to a more general and irregular shape of element in the physical domain. In addition, the element free technique is also quite useful to analyze a complex shape of domain because there is no need to divide a domain by a compatible finite element mesh. This paper presents a new finite element and element free formulations for the lattice Boltzmann equation using the general weighted residual technique. Then, a series of validation examples are presented.

  19. Lattice Boltzmann model capable of mesoscopic vorticity computation

    Science.gov (United States)

    Peng, Cheng; Guo, Zhaoli; Wang, Lian-Ping

    2017-11-01

    It is well known that standard lattice Boltzmann (LB) models allow the strain-rate components to be computed mesoscopically (i.e., through the local particle distributions) and as such possess a second-order accuracy in strain rate. This is one of the appealing features of the lattice Boltzmann method (LBM) which is of only second-order accuracy in hydrodynamic velocity itself. However, no known LB model can provide the same quality for vorticity and pressure gradients. In this paper, we design a multiple-relaxation time LB model on a three-dimensional 27-discrete-velocity (D3Q27) lattice. A detailed Chapman-Enskog analysis is presented to illustrate all the necessary constraints in reproducing the isothermal Navier-Stokes equations. The remaining degrees of freedom are carefully analyzed to derive a model that accommodates mesoscopic computation of all the velocity and pressure gradients from the nonequilibrium moments. This way of vorticity calculation naturally ensures a second-order accuracy, which is also proven through an asymptotic analysis. We thus show, with enough degrees of freedom and appropriate modifications, the mesoscopic vorticity computation can be achieved in LBM. The resulting model is then validated in simulations of a three-dimensional decaying Taylor-Green flow, a lid-driven cavity flow, and a uniform flow passing a fixed sphere. Furthermore, it is shown that the mesoscopic vorticity computation can be realized even with single relaxation parameter.

  20. Modelling of electric characteristics of 150-watt peak solar panel using Boltzmann sigmoid function under various temperature and irradiance

    Science.gov (United States)

    Sapteka, A. A. N. G.; Narottama, A. A. N. M.; Winarta, A.; Amerta Yasa, K.; Priambodo, P. S.; Putra, N.

    2018-01-01

    Solar energy utilized with solar panel is a renewable energy that needs to be studied further. The site nearest to the equator, it is not surprising, receives the highest solar energy. In this paper, a modelling of electrical characteristics of 150-Watt peak solar panels using Boltzmann sigmoid function under various temperature and irradiance is reported. Current, voltage, temperature and irradiance data in Denpasar, a city located at just south of equator, was collected. Solar power meter is used to measure irradiance level, meanwhile digital thermometer is used to measure temperature of front and back panels. Short circuit current and open circuit voltage data was also collected at different temperature and irradiance level. Statistically, the electrical characteristics of 150-Watt peak solar panel can be modelled using Boltzmann sigmoid function with good fit. Therefore, it can be concluded that Boltzmann sigmoid function might be used to determine current and voltage characteristics of 150-Watt peak solar panel under various temperature and irradiance.

  1. Fast lattice Boltzmann solver for relativistic hydrodynamics.

    Science.gov (United States)

    Mendoza, M; Boghosian, B M; Herrmann, H J; Succi, S

    2010-07-02

    A lattice Boltzmann formulation for relativistic fluids is presented and numerically validated through quantitative comparison with recent hydrodynamic simulations of relativistic fluids. In order to illustrate its capability to handle complex geometries, the scheme is also applied to the case of a three-dimensional relativistic shock wave, generated by a supernova explosion, impacting on a massive interstellar cloud. This formulation opens up the possibility of exporting the proven advantages of lattice Boltzmann methods, namely, computational efficiency and easy handling of complex geometries, to the context of (mildly) relativistic fluid dynamics at large, from quark-gluon plasmas up to supernovae with relativistic outflows.

  2. Multispeed models in off-lattice Boltzmann simulations

    NARCIS (Netherlands)

    Bardow, A.; Karlin, I.V.; Gusev, A.A.

    2008-01-01

    The lattice Boltzmann method is a highly promising approach to the simulation of complex flows. Here, we realize recently proposed multispeed lattice Boltzmann models [S. Chikatamarla et al., Phys. Rev. Lett. 97 190601 (2006)] by exploiting the flexibility offered by off-lattice Boltzmann methods.

  3. A Stochastic Sharpening Method for the Propagation of Phase Boundaries in Multiphase Lattice Boltzmann Simulations

    KAUST Repository

    Reis, T.

    2010-09-06

    Existing lattice Boltzmann models that have been designed to recover a macroscopic description of immiscible liquids are only able to make predictions that are quantitatively correct when the interface that exists between the fluids is smeared over several nodal points. Attempts to minimise the thickness of this interface generally leads to a phenomenon known as lattice pinning, the precise cause of which is not well understood. This spurious behaviour is remarkably similar to that associated with the numerical simulation of hyperbolic partial differential equations coupled with a stiff source term. Inspired by the seminal work in this field, we derive a lattice Boltzmann implementation of a model equation used to investigate such peculiarities. This implementation is extended to different spacial discretisations in one and two dimensions. We shown that the inclusion of a quasi-random threshold dramatically delays the onset of pinning and facetting.

  4. Numerical study of convection in phase change material based on Lattice-Boltzmann method

    Science.gov (United States)

    Zhang, Tianyu; Feng, Ying; Zhao, Zhening

    2017-06-01

    In this paper, the lattice Boltzmann method was studied for the phase change process with convective heat transfer in phase change energy storage materials. Firstly, the macroscopic heat transfer equations for the phase change process with convective heat transfer was given, by which we built the lattice Boltzmann equations for solving the problems. In the model, the speed model of D2Q9 was selected, and the boundary conditions including of non-equilibrium extrapolation and bounce back scheme were selected. Then, the effects of different Rayleigh number on the temperature field and velocity field were analyzed. Further research in a square cavity heat transfer processes with high temperature object and low temperature object were studied, in order to observe the effects of different temperature objects in the phase change process using the changes of phase field.

  5. Quantum Heat Engine and Negative Boltzmann Temperature

    Science.gov (United States)

    Xi, Jing-Yi; Quan, Hai-Tao

    2017-09-01

    To clarify the ambiguity on negative Boltzmann temperature in literature, we study the Carnot and the Otto cycle with one of the heat reservoirs at the negative Boltzmann temperature based on a canonical ensemble description. The work extraction, entropy production and the efficiency of these cycles are explored. Conditions for constructing and properties of these thermodynamic cycles are elucidated. We find that the apparent “violation” of the second law of thermodynamics in these cycles are due to the fact that the traditional definition of thermodynamic efficiency is inappropriate in this situation. When properly understanding the efficiency and the adiabatic processes, in which the system crosses over “absolute ZERO” in a limit sense, the Carnot cycle with one of the heat reservoirs at a negative Boltzmann temperature can be understood straightforwardly, and it contradicts neither the second nor the third law of thermodynamics. Hence, negative Boltzmann temperature is a consistent concept in thermodynamics. We use a two-level system and an Ising spin system to illustrate our central results. Support from the National Science Foundation of China under Grants Nos. 11375012, 11534002, and The Recruitment Program of Global Youth Experts of China

  6. Quantum Heat Engine and Negative Boltzmann Temperature

    International Nuclear Information System (INIS)

    Xi Jing-Yi; Quan Hai-Tao

    2017-01-01

    To clarify the ambiguity on negative Boltzmann temperature in literature, we study the Carnot and the Otto cycle with one of the heat reservoirs at the negative Boltzmann temperature based on a canonical ensemble description. The work extraction, entropy production and the efficiency of these cycles are explored. Conditions for constructing and properties of these thermodynamic cycles are elucidated. We find that the apparent “violation” of the second law of thermodynamics in these cycles are due to the fact that the traditional definition of thermodynamic efficiency is inappropriate in this situation. When properly understanding the efficiency and the adiabatic processes, in which the system crosses over “absolute ZERO” in a limit sense, the Carnot cycle with one of the heat reservoirs at a negative Boltzmann temperature can be understood straightforwardly, and it contradicts neither the second nor the third law of thermodynamics. Hence, negative Boltzmann temperature is a consistent concept in thermodynamics. We use a two-level system and an Ising spin system to illustrate our central results. (paper)

  7. A Nonlinear Evolution Equation in an Ordered Space, Arising from Kinetic Theory

    CERN Document Server

    Grünfeld, C P

    2005-01-01

    We investigate the Cauchy problem for a nonlinear evolution equation, formulated in an abstract Lebesgue space, as a generalization of various Boltzmann kinetic models. Our main result provides sufficient conditions for the existence, uniqueness, and positivity of global in time solutions. The proof is based on ideas behind a well-known monotonicity method, originally developed within the existence theory of the classical Boltzmann equation in $L^1$. Our application examples concern Smoluchowski's coagulation equation, a Povzner-like equation with dissipative collisions, and a Boltzmann model with chemical reactions.

  8. Dynamically adaptive Lattice Boltzmann simulation of shallow water flows with the Peano framework

    KAUST Repository

    Neumann, Philipp

    2015-09-01

    © 2014 Elsevier Inc. All rights reserved. We present a dynamically adaptive Lattice Boltzmann (LB) implementation for solving the shallow water equations (SWEs). Our implementation extends an existing LB component of the Peano framework. We revise the modular design with respect to the incorporation of new simulation aspects and LB models. The basic SWE-LB implementation is validated in different breaking dam scenarios. We further provide a numerical study on stability of the MRT collision operator used in our simulations.

  9. Lattice Boltzmann formulation for conjugate heat transfer in heterogeneous media.

    Science.gov (United States)

    Karani, Hamid; Huber, Christian

    2015-02-01

    In this paper, we propose an approach for studying conjugate heat transfer using the lattice Boltzmann method (LBM). The approach is based on reformulating the lattice Boltzmann equation for solving the conservative form of the energy equation. This leads to the appearance of a source term, which introduces the jump conditions at the interface between two phases or components with different thermal properties. The proposed source term formulation conserves conductive and advective heat flux simultaneously, which makes it suitable for modeling conjugate heat transfer in general multiphase or multicomponent systems. The simple implementation of the source term approach avoids any correction of distribution functions neighboring the interface and provides an algorithm that is independent from the topology of the interface. Moreover, our approach is independent of the choice of lattice discretization and can be easily applied to different advection-diffusion LBM solvers. The model is tested against several benchmark problems including steady-state convection-diffusion within two fluid layers with parallel and normal interfaces with respect to the flow direction, unsteady conduction in a three-layer stratified domain, and steady conduction in a two-layer annulus. The LBM results are in excellent agreement with analytical solution. Error analysis shows that our model is first-order accurate in space, but an extension to a second-order scheme is straightforward. We apply our LBM model to heat transfer in a two-component heterogeneous medium with a random microstructure. This example highlights that the method we propose is independent of the topology of interfaces between the different phases and, as such, is ideally suited for complex natural heterogeneous media. We further validate the present LBM formulation with a study of natural convection in a porous enclosure. The results confirm the reliability of the model in simulating complex coupled fluid and thermal dynamics

  10. Kinetic Boltzmann approach adapted for modeling highly ionized matter created by x-ray irradiation of a solid

    Czech Academy of Sciences Publication Activity Database

    Ziaja, B.; Saxena, V.; Son, S.-K.; Medvedev, N.; Barbrel, B.; Woloncewicz, B.; Stránský, Michal

    2016-01-01

    Roč. 93, č. 5 (2016), 1-6, č. článku 053210. ISSN 2470-0045 R&D Projects: GA MŠk(CZ) LG13029 Institutional support: RVO:68378271 Keywords : X-ray * Boltzmann equation Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 2.366, year: 2016

  11. A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

    Energy Technology Data Exchange (ETDEWEB)

    Fisicaro, G., E-mail: giuseppe.fisicaro@unibas.ch; Goedecker, S. [Department of Physics, University of Basel, Klingelbergstrasse 82, 4056 Basel (Switzerland); Genovese, L. [University of Grenoble Alpes, CEA, INAC-SP2M, L-Sim, F-38000 Grenoble (France); Andreussi, O. [Institute of Computational Science, Università della Svizzera Italiana, Via Giuseppe Buffi 13, CH-6904 Lugano (Switzerland); Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, Station 12, CH-1015 Lausanne (Switzerland); Marzari, N. [Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, Station 12, CH-1015 Lausanne (Switzerland)

    2016-01-07

    The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes.

  12. A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

    International Nuclear Information System (INIS)

    Fisicaro, G.; Goedecker, S.; Genovese, L.; Andreussi, O.; Marzari, N.

    2016-01-01

    The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes

  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. Corner-transport-upwind lattice Boltzmann model for bubble cavitation

    Science.gov (United States)

    Sofonea, V.; Biciuşcǎ, T.; Busuioc, S.; Ambruş, Victor E.; Gonnella, G.; Lamura, A.

    2018-02-01

    Aiming to study the bubble cavitation problem in quiescent and sheared liquids, a third-order isothermal lattice Boltzmann model that describes a two-dimensional (2D) fluid obeying the van der Waals equation of state, is introduced. The evolution equations for the distribution functions in this off-lattice model with 16 velocities are solved using the corner-transport-upwind (CTU) numerical scheme on large square lattices (up to 6144 ×6144 nodes). The numerical viscosity and the regularization of the model are discussed for first- and second-order CTU schemes finding that the latter choice allows to obtain a very accurate phase diagram of a nonideal fluid. In a quiescent liquid, the present model allows us to recover the solution of the 2D Rayleigh-Plesset equation for a growing vapor bubble. In a sheared liquid, we investigated the evolution of the total bubble area, the bubble deformation, and the bubble tilt angle, for various values of the shear rate. A linear relation between the dimensionless deformation coefficient D and the capillary number Ca is found at small Ca but with a different factor than in equilibrium liquids. A nonlinear regime is observed for Ca≳0.2 .

  15. Massively parallel simulations of multiphase flows using Lattice Boltzmann methods

    Science.gov (United States)

    Ahrenholz, Benjamin

    2010-03-01

    In the last two decades the lattice Boltzmann method (LBM) has matured as an alternative and efficient numerical scheme for the simulation of fluid flows and transport problems. Unlike conventional numerical schemes based on discretizations of macroscopic continuum equations, the LBM is based on microscopic models and mesoscopic kinetic equations. The fundamental idea of the LBM is to construct simplified kinetic models that incorporate the essential physics of microscopic or mesoscopic processes so that the macroscopic averaged properties obey the desired macroscopic equations. Especially applications involving interfacial dynamics, complex and/or changing boundaries and complicated constitutive relationships which can be derived from a microscopic picture are suitable for the LBM. In this talk a modified and optimized version of a Gunstensen color model is presented to describe the dynamics of the fluid/fluid interface where the flow field is based on a multi-relaxation-time model. Based on that modeling approach validation studies of contact line motion are shown. Due to the fact that the LB method generally needs only nearest neighbor information, the algorithm is an ideal candidate for parallelization. Hence, it is possible to perform efficient simulations in complex geometries at a large scale by massively parallel computations. Here, the results of drainage and imbibition (Degree of Freedom > 2E11) in natural porous media gained from microtomography methods are presented. Those fully resolved pore scale simulations are essential for a better understanding of the physical processes in porous media and therefore important for the determination of constitutive relationships.

  16. Stability of Nonlinear Wave Patterns to the Bipolar Vlasov-Poisson-Boltzmann System

    Science.gov (United States)

    Li, Hailiang; Wang, Yi; Yang, Tong; Zhong, Mingying

    2018-04-01

    The main purpose of the present paper is to investigate the nonlinear stability of viscous shock waves and rarefaction waves for the bipolar Vlasov-Poisson-Boltzmann (VPB) system. To this end, motivated by the micro-macro decomposition to the Boltzmann equation in Liu and Yu (Commun Math Phys 246:133-179, 2004) and Liu et al. (Physica D 188:178-192, 2004), we first set up a new micro-macro decomposition around the local Maxwellian related to the bipolar VPB system and give a unified framework to study the nonlinear stability of the basic wave patterns to the system. Then, as applications of this new decomposition, the time-asymptotic stability of the two typical nonlinear wave patterns, viscous shock waves and rarefaction waves are proved for the 1D bipolar VPB system. More precisely, it is first proved that the linear superposition of two Boltzmann shock profiles in the first and third characteristic fields is nonlinearly stable to the 1D bipolar VPB system up to some suitable shifts without the zero macroscopic mass conditions on the initial perturbations. Then the time-asymptotic stability of the rarefaction wave fan to compressible Euler equations is proved for the 1D bipolar VPB system. These two results are concerned with the nonlinear stability of wave patterns for Boltzmann equation coupled with additional (electric) forces, which together with spectral analysis made in Li et al. (Indiana Univ Math J 65(2):665-725, 2016) sheds light on understanding the complicated dynamic behaviors around the wave patterns in the transportation of charged particles under the binary collisions, mutual interactions, and the effect of the electrostatic potential forces.

  17. General and exact pressure evolution equation

    Science.gov (United States)

    Toutant, Adrien

    2017-11-01

    A crucial issue in fluid dynamics is related to the knowledge of the fluid pressure. A new general pressure equation is derived from compressible Navier-Stokes equation. This new pressure equation is valid for all real dense fluids for which the pressure tensor is isotropic. It is argued that this new pressure equation allows unifying compressible, low-Mach and incompressible approaches. Moreover, this equation should be able to replace the Poisson equation in isothermal incompressible fluids. For computational fluid dynamics, it can be seen as an alternative to Lattice Boltzmann methods and as the physical justification of artificial compressibility.

  18. Lattice-Boltzmann simulations of droplet evaporation

    KAUST Repository

    Ledesma-Aguilar, Rodrigo

    2014-09-04

    © the Partner Organisations 2014. We study the utility and validity of lattice-Boltzmann (LB) simulations to explore droplet evaporation driven by a concentration gradient. Using a binary-fluid lattice-Boltzmann algorithm based on Cahn-Hilliard dynamics, we study the evaporation of planar films and 3D sessile droplets from smooth solid surfaces. Our results show that LB simulations accurately reproduce the classical regime of quasi-static dynamics. Beyond this limit, we show that the algorithm can be used to explore regimes where the evaporative and diffusive timescales are not widely separated, and to include the effect of boundaries of prescribed driving concentration. We illustrate the method by considering the evaporation of a droplet from a solid surface that is chemically patterned with hydrophilic and hydrophobic stripes. This journal is

  19. Nonequilibrium thermodynamics of restricted Boltzmann machines

    Science.gov (United States)

    Salazar, Domingos S. P.

    2017-08-01

    In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.

  20. Hilbert's sixth problem and the failure of the Boltzmann to Euler limit.

    Science.gov (United States)

    Slemrod, Marshall

    2018-04-28

    This paper addresses the main issue of Hilbert's sixth problem, namely the rigorous passage of solutions to the mesoscopic Boltzmann equation to macroscopic solutions of the Euler equations of compressible gas dynamics. The results of the paper are that (i) in general Hilbert's program will fail because of the appearance of van der Waals-Korteweg capillarity terms in a macroscopic description of motion of a gas, and (ii) the van der Waals-Korteweg theory itself might satisfy Hilbert's quest for a map from the 'atomistic view' to the laws of motion of continua.This article is part of the theme issue 'Hilbert's sixth problem'. © 2018 The Author(s).

  1. Thermodynamic aspect in using modified Boltzmann model as an acoustic probe for URu2Si2

    Science.gov (United States)

    Kwang-Hua, Chu Rainer

    2018-05-01

    The approximate system of equations describing ultrasonic attenuation propagating in many electrons of the heavy-fermion materials URu2Si2 under high magnetic fields were firstly derived and then calculated based on the modified Boltzmann model considering the microscopic contributions due to electronic fluids. A system of nonlinear partial differential coupled with integral equations were linearized firstly and approximately solved considering the perturbed thermodynamic equilibrium states. Our numerical data were compared with previous measurements using non-dimensional or normalized physical values. The rather good fit of our numerical calculations with experimental measurements confirms our present approach.

  2. Energy Dependent Streaming in Lattice Boltzmann Simulations

    Czech Academy of Sciences Publication Activity Database

    Pavlo, Pavol; Vahala, G.; Vahala, L.

    2001-01-01

    Roč. 46, č. 8 (2001), s. 241 ISSN 0003-0503. [Annual Meeting of the Division of Plasma Physics of the American Physical Society/43rd./. Long Beach, CA, 29.10.2001-02.11.2001] R&D Projects: GA ČR GA202/00/1216 Institutional research plan: CEZ:AV0Z2043910 Keywords : Lattice Boltzmann Simulations Subject RIV: BL - Plasma and Gas Discharge Physics

  3. Lattice Boltzmann Approach to Resistive MHD

    Czech Academy of Sciences Publication Activity Database

    Macnab, A.; Vahala, G.; Vahala, L.; Pavlo, Pavol; Soe, M.

    2002-01-01

    Roč. 47, č. 9 (2002), s. 51 ISSN 0003-0503. [Annual Meeting of the Division of Plasma Physics of the American Physical Society/44th./. Orlando , Florida, 11.11.2001-15.11.2001] R&D Projects: GA ČR GA202/00/1216 Institutional research plan: CEZ:AV0Z2043910 Keywords : Lattice Boltzmann, magnetic fields Subject RIV: BL - Plasma and Gas Discharge Physics

  4. Contact Angle Measurement in Lattice Boltzmann Method

    OpenAIRE

    Wen, Binghai; Huang, Bingfang; Qin, Zhangrong; Wang, Chunlei; Zhang, Chaoying

    2017-01-01

    Contact angle is an essential characteristic in wetting, capillarity and moving contact line; however, although contact angle phenomena are effectively simulated, an accurate and real-time measurement for contact angle has not been well studied in computational fluid dynamics, especially in dynamic environments. Here, we design a geometry-based mesoscopic scheme to onthesport measure the contact angle in the lattice Boltzmann method. The computational results without gravity effect are in exc...

  5. Immersed Boundary-Lattice Boltzmann Method Using Two Relaxation Times

    Directory of Open Access Journals (Sweden)

    Kosuke Hayashi

    2012-06-01

    Full Text Available An immersed boundary-lattice Boltzmann method (IB-LBM using a two-relaxation time model (TRT is proposed. The collision operator in the lattice Boltzmann equation is modeled using two relaxation times. One of them is used to set the fluid viscosity and the other is for numerical stability and accuracy. A direct-forcing method is utilized for treatment of immersed boundary. A multi-direct forcing method is also implemented to precisely satisfy the boundary conditions at the immersed boundary. Circular Couette flows between a stationary cylinder and a rotating cylinder are simulated for validation of the proposed method. The method is also validated through simulations of circular and spherical falling particles. Effects of the functional forms of the direct-forcing term and the smoothed-delta function, which interpolates the fluid velocity to the immersed boundary and distributes the forcing term to fixed Eulerian grid points, are also examined. As a result, the following conclusions are obtained: (1 the proposed method does not cause non-physical velocity distribution in circular Couette flows even at high relaxation times, whereas the single-relaxation time (SRT model causes a large non-physical velocity distortion at a high relaxation time, (2 the multi-direct forcing reduces the errors in the velocity profile of a circular Couette flow at a high relaxation time, (3 the two-point delta function is better than the four-point delta function at low relaxation times, but worse at high relaxation times, (4 the functional form of the direct-forcing term does not affect predictions, and (5 circular and spherical particles falling in liquids are well predicted by using the proposed method both for two-dimensional and three-dimensional cases.

  6. Simulating anomalous transport and multiphase segregation in porous media with the Lattice Boltzmann Method

    Science.gov (United States)

    Matin, Rastin; Hernandez, Anier; Misztal, Marek; Mathiesen, Joachim

    2015-04-01

    Many hydrodynamic phenomena ranging from flows at micron scale in porous media, large Reynolds numbers flows, non-Newtonian and multiphase flows have been simulated on computers using the lattice Boltzmann (LB) method. By solving the Lattice Boltzmann Equation on unstructured meshes in three dimensions, we have developed methods to efficiently model the fluid flow in real rock samples. We use this model to study the spatio-temporal statistics of the velocity field inside three-dimensional real geometries and investigate its relation to the, in general, anomalous transport of passive tracers for a wide range of Peclet and Reynolds numbers. We extend this model by free-energy based method, which allows us to simulate binary systems with large-density ratios in a thermodynamically consistent way and track the interface explicitly. In this presentation we will present our recent results on both anomalous transport and multiphase segregation.

  7. Simulating Anomalous Dispersion and Multiphase Segregation in Porous Media with the Lattice Boltzmann Method

    Science.gov (United States)

    Matin, Rastin; Misztal, Marek K.; Hernandez-Garcia, Anier; Mathiesen, Joachim

    2015-11-01

    Many hydrodynamic phenomena such as flows at micron scale in porous media, large Reynolds numbers flows, non-Newtonian and multiphase flows have been simulated numerically using the lattice Boltzmann method. By solving the Lattice Boltzmann Equation on three-dimensional unstructured meshes, we efficiently model single-phase fluid flow in real rock samples. We use the flow field to estimate the permeability and further investigate the anomalous dispersion of passive tracers in porous media. By extending our single-phase model with a free-energy based method, we are able to simulate binary systems with moderate density ratios in a thermodynamically consistent way. In this presentation we will present our recent results on both anomalous transport and multiphase segregation.

  8. Moment-based boundary conditions for lattice Boltzmann simulations of natural convection in cavities

    KAUST Repository

    Allen, Rebecca

    2016-06-29

    We study a multiple relaxation time lattice Boltzmann model for natural convection with moment-based boundary conditions. The unknown primary variables of the algorithm at a boundary are found by imposing conditions directly upon hydrodynamic moments, which are then translated into conditions for the discrete velocity distribution functions. The method is formulated so that it is consistent with the second order implementation of the discrete velocity Boltzmann equations for fluid flow and temperature. Natural convection in square cavities is studied for Rayleigh numbers ranging from 103 to 108. An excellent agreement with benchmark data is observed and the flow fields are shown to converge with second order accuracy. Copyright © 2016 Inderscience Enterprises Ltd.

  9. Equilibrium statistical mechanics for self-gravitating systems: local ergodicity and extended Boltzmann-Gibbs/White-Narayan statistics

    Science.gov (United States)

    He, Ping

    2012-01-01

    The long-standing puzzle surrounding the statistical mechanics of self-gravitating systems has not yet been solved successfully. We formulate a systematic theoretical framework of entropy-based statistical mechanics for spherically symmetric collisionless self-gravitating systems. We use an approach that is very different from that of the conventional statistical mechanics of short-range interaction systems. We demonstrate that the equilibrium states of self-gravitating systems consist of both mechanical and statistical equilibria, with the former characterized by a series of velocity-moment equations and the latter by statistical equilibrium equations, which should be derived from the entropy principle. The velocity-moment equations of all orders are derived from the steady-state collisionless Boltzmann equation. We point out that the ergodicity is invalid for the whole self-gravitating system, but it can be re-established locally. Based on the local ergodicity, using Fermi-Dirac-like statistics, with the non-degenerate condition and the spatial independence of the local microstates, we rederive the Boltzmann-Gibbs entropy. This is consistent with the validity of the collisionless Boltzmann equation, and should be the correct entropy form for collisionless self-gravitating systems. Apart from the usual constraints of mass and energy conservation, we demonstrate that the series of moment or virialization equations must be included as additional constraints on the entropy functional when performing the variational calculus; this is an extension to the original prescription by White & Narayan. Any possible velocity distribution can be produced by the statistical-mechanical approach that we have developed with the extended Boltzmann-Gibbs/White-Narayan statistics. Finally, we discuss the questions of negative specific heat and ensemble inequivalence for self-gravitating systems.

  10. Identifying product order with restricted Boltzmann machines

    Science.gov (United States)

    Rao, Wen-Jia; Li, Zhenyu; Zhu, Qiong; Luo, Mingxing; Wan, Xin

    2018-03-01

    Unsupervised machine learning via a restricted Boltzmann machine is a useful tool in distinguishing an ordered phase from a disordered phase. Here we study its application on the two-dimensional Ashkin-Teller model, which features a partially ordered product phase. We train the neural network with spin configuration data generated by Monte Carlo simulations and show that distinct features of the product phase can be learned from nonergodic samples resulting from symmetry breaking. Careful analysis of the weight matrices inspires us to define a nontrivial machine-learning motivated quantity of the product form, which resembles the conventional product order parameter.

  11. Boltzmann and Einstein: Statistics and dynamics –An unsolved ...

    Indian Academy of Sciences (India)

    The struggle of Boltzmann with the proper description of the behavior of classical macroscopic bodies in equilibrium in terms of the properties of the particles out of which they consist will be sketched. He used both a dynamical and a statistical method. However, Einstein strongly disagreed with Boltzmann's statistical method ...

  12. Boltzmann and Einstein: Statistics and dynamics–An unsolved ...

    Indian Academy of Sciences (India)

    The struggle of Boltzmann with the proper description of the behavior of classical macroscopic bodies in equilibrium in terms of the properties of the particles out of which they consist will be sketched. He used both a dynamical and a statistical method. However, Einstein strongly disagreed with Boltzmann's statistical method ...

  13. On some asymptotic relations in the Boltzmann-Enskog model

    International Nuclear Information System (INIS)

    Sadovnikov, B.I.; Inozemtseva, N.G.

    1977-04-01

    The coefficients in the tsup(-3/2) asymptotics of the time autocorrelation functions are successively determined in the framework of the non-linear Boltzmann-Enskog model. The left and right eigenfunction systems are constructed for the Boltzmann-Enskog operator

  14. Normal and adjoint integral and integrodifferential neutron transport equations. Pt. 1

    International Nuclear Information System (INIS)

    Velarde, G.

    1976-01-01

    Using some simplifying hypotheses, different expressions of the Boltzmann integrodifferential equation are obtained. Posteriorly, they are applied to some particular cases: slowing down, thermalization, multigroups, critical reactors and virtual critical reactors with k, α and lambda. (author)

  15. 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...

  16. The Approach to Equilibrium: Detailed Balance and the Master Equation

    Science.gov (United States)

    Alexander, Millard H.; Hall, Gregory E.; Dagdigian, Paul J.

    2011-01-01

    The approach to the equilibrium (Boltzmann) distribution of populations of internal states of a molecule is governed by inelastic collisions in the gas phase and with surfaces. The set of differential equations governing the time evolution of the internal state populations is commonly called the master equation. An analytic solution to the master…

  17. Partial entropic stabilization of lattice Boltzmann magnetohydrodynamics

    Science.gov (United States)

    Flint, Christopher; Vahala, George

    2018-01-01

    The entropic lattice Boltzmann algorithm of Karlin et al. [Phys. Rev. E 90, 031302 (2014), 10.1103/PhysRevE.90.031302] is partially extended to magnetohydrodynamics, based on the Dellar model of introducing a vector distribution for the magnetic field. This entropic ansatz is now applied only to the scalar particle distribution function so as to permit the many problems entailing magnetic field reversal. A 9-bit lattice is employed for both particle and magnetic distributions for our two-dimensional simulations. The entropic ansatz is benchmarked against our earlier multiple relaxation lattice-Boltzmann model for the Kelvin-Helmholtz instability in a magnetized jet. Other two-dimensional simulations are performed and compared to results determined by more standard direct algorithms: in particular the switch over between the Kelvin-Helmholtz or tearing mode instability of Chen et al. [J. Geophys. Res.: Space Phys. 102, 151 (1997), 10.1029/96JA03144], and the generalized Orszag-Tang vortex model of Biskamp-Welter [Phys. Fluids B 1, 1964 (1989), 10.1063/1.859060]. Very good results are achieved.

  18. Effects of nanoparticles on melting process with phase-change using the lattice Boltzmann method

    Directory of Open Access Journals (Sweden)

    Ahmed M. Ibrahem

    Full Text Available In this work, the problem of nanoparticles dispersion effects on coupled heat transfer and solid-liquid phase change has been studied. The lattice Boltzmann method (LBM enthalpy-based is employed. The collision model of lattice Bhatnagar-Gross-Krook (LBGK is used to solve the problem of 1D melting by conduction. On the other hand, we use the model of multi-distribution functions (MDF to calculate the density, the velocity and the temperature for the problem of 2D melting by free convection, associated with different boundary conditions. In these simulations, the volume fractions of copper nanoparticles (0–2% added to water-base fluid and Rayleigh numbers of 103–105. We use the Chapman-Enskog expansion to derive the governing macroscopic quantities from the mesoscopic lattice Boltzmann equation. The results obtained by these models have been compared to an analytical solution or other numerical methods. The effects of nanoparticles on conduction and natural convection during the melting process have been investigated. Moreover, the influences of nanoparticles on moving of the phase change front, the thermal conductivity and the latent heat of fusion are also studied. Keywords: Lattice Boltzmann method, Nanofluids, Conduction melting, Convection melting, BGK collision model

  19. Boltzmann rovibrational collisional coarse-grained model for internal energy excitation and dissociation in hypersonic flows.

    Science.gov (United States)

    Munafò, A; Panesi, M; Magin, T E

    2014-02-01

    A Boltzmann rovibrational collisional coarse-grained model is proposed to reduce a detailed kinetic mechanism database developed at NASA Ames Research Center for internal energy transfer and dissociation in N(2)-N interactions. The coarse-grained model is constructed by lumping the rovibrational energy levels of the N(2) molecule into energy bins. The population of the levels within each bin is assumed to follow a Boltzmann distribution at the local translational temperature. Excitation and dissociation rate coefficients for the energy bins are obtained by averaging the elementary rate coefficients. The energy bins are treated as separate species, thus allowing for non-Boltzmann distributions of their populations. The proposed coarse-grained model is applied to the study of nonequilibrium flows behind normal shock waves and within converging-diverging nozzles. In both cases, the flow is assumed inviscid and steady. Computational results are compared with those obtained by direct solution of the master equation for the rovibrational collisional model and a more conventional multitemperature model. It is found that the proposed coarse-grained model is able to accurately resolve the nonequilibrium dynamics of internal energy excitation and dissociation-recombination processes with only 20 energy bins. Furthermore, the proposed coarse-grained model provides a superior description of the nonequilibrium phenomena occurring in shock heated and nozzle flows when compared with the conventional multitemperature models.

  20. Analysis of a bubble coalescence in the multiphase lattice Boltzmann method

    International Nuclear Information System (INIS)

    Ryu, Seung Yeob; Park, Cheon Tae; Lee, Chung Chan; Kim, Keung Koo

    2008-01-01

    Recently, the lattice Boltzmann method (LBM) has gained much attention for its ability to simulate fluid flows, and for its potential advantages over a conventional CFD method. The key advantages of LBM are, (1) suitability for parallel computations, (2) absence of the need to solve the time-consuming Poisson equation for a pressure, and (3) an ease with multiphase flows, complex geometries and interfacial dynamics may be treated. To study the effect of the mobility coefficient Γ and the width of the interface layer, two stationary bubbles without a collision are considered. The gap of the two bubbles is taken as 4, while the width of the interface (w) and the mobility coefficient Γ are varied. In the present work, the lattice Boltzmann model for multiphase flows proposed by Zheng et al. is used for simulating two stationary bubbles without a collision. By adopting a finite difference gradient operator of a sufficient isotropy, the spurious currents can be made smaller. The main objective of the present work is to establish the lattice Boltzmann method as a viable tool for the simulation of multiphase or multi-component flows

  1. Lattice Boltzmann simulation for temperature-sensitive magnetic fluids in a porous square cavity

    International Nuclear Information System (INIS)

    Jin Licong; Zhang Xinrong; Niu Xiaodong

    2012-01-01

    A lattice Boltzmann method is developed to simulate temperature-sensitive magnetic fluids in a porous cavity. In the simulation, the magnetic force, efficient gravity, viscous loss term and geometric loss term in porous medium are imported to the momentum equation. To test the reliability of the method, a validation with water in porous cavity is carried out. Good agreements with the previous results verify that the present lattice Boltzmann method is promising for simulation of magnetic fluids in porous medium. In this study, we investigate the change of magnetization with external magnetic field, and we present numerical results for the streamlines, isotherms, and magnetization at vertical or horizontal mid-profiles for different values of Ram. In addition, Nusselt numbers changing with magnetic Rayleigh numbers are also investigated. - Highlights: → Developed a lattice Boltzmann method for magnetic nano-fluids in porous cavity. → Clarified flow and heat transfer for different values of (magnetic) Rayleigh numbers. → Heat transfer enhancement for magnetic fluid in porous cavity.

  2. Exploring cluster Monte Carlo updates with Boltzmann machines.

    Science.gov (United States)

    Wang, Lei

    2017-11-01

    Boltzmann machines are physics informed generative models with broad applications in machine learning. They model the probability distribution of an input data set with latent variables and generate new samples accordingly. Applying the Boltzmann machines back to physics, they are ideal recommender systems to accelerate the Monte Carlo simulation of physical systems due to their flexibility and effectiveness. More intriguingly, we show that the generative sampling of the Boltzmann machines can even give different cluster Monte Carlo algorithms. The latent representation of the Boltzmann machines can be designed to mediate complex interactions and identify clusters of the physical system. We demonstrate these findings with concrete examples of the classical Ising model with and without four-spin plaquette interactions. In the future, automatic searches in the algorithm space parametrized by Boltzmann machines may discover more innovative Monte Carlo updates.

  3. Exploring cluster Monte Carlo updates with Boltzmann machines

    Science.gov (United States)

    Wang, Lei

    2017-11-01

    Boltzmann machines are physics informed generative models with broad applications in machine learning. They model the probability distribution of an input data set with latent variables and generate new samples accordingly. Applying the Boltzmann machines back to physics, they are ideal recommender systems to accelerate the Monte Carlo simulation of physical systems due to their flexibility and effectiveness. More intriguingly, we show that the generative sampling of the Boltzmann machines can even give different cluster Monte Carlo algorithms. The latent representation of the Boltzmann machines can be designed to mediate complex interactions and identify clusters of the physical system. We demonstrate these findings with concrete examples of the classical Ising model with and without four-spin plaquette interactions. In the future, automatic searches in the algorithm space parametrized by Boltzmann machines may discover more innovative Monte Carlo updates.

  4. A mass-conserving multiphase lattice Boltzmann model for simulation of multiphase flows

    Science.gov (United States)

    Niu, Xiao-Dong; Li, You; Ma, Yi-Ren; Chen, Mu-Feng; Li, Xiang; Li, Qiao-Zhong

    2018-01-01

    In this study, a mass-conserving multiphase lattice Boltzmann (LB) model is proposed for simulating the multiphase flows. The proposed model developed in the present study is to improve the model of Shao et al. ["Free-energy-based lattice Boltzmann model for simulation of multiphase flows with density contrast," Phys. Rev. E 89, 033309 (2014)] by introducing a mass correction term in the lattice Boltzmann model for the interface. The model of Shao et al. [(the improved Zheng-Shu-Chew (Z-S-C model)] correctly considers the effect of the local density variation in momentum equation and has an obvious improvement over the Zheng-Shu-Chew (Z-S-C) model ["A lattice Boltzmann model for multiphase flows with large density ratio," J. Comput. Phys. 218(1), 353-371 (2006)] in terms of solution accuracy. However, due to the physical diffusion and numerical dissipation, the total mass of each fluid phase cannot be conserved correctly. To solve this problem, a mass correction term, which is similar to the one proposed by Wang et al. ["A mass-conserved diffuse interface method and its application for incompressible multiphase flows with large density ratio," J. Comput. Phys. 290, 336-351 (2015)], is introduced into the lattice Boltzmann equation for the interface to compensate the mass losses or offset the mass increase. Meanwhile, to implement the wetting boundary condition and the contact angle, a geometric formulation and a local force are incorporated into the present mass-conserving LB model. The proposed model is validated by verifying the Laplace law, simulating both one and two aligned droplets splashing onto a liquid film, droplets standing on an ideal wall, droplets with different wettability splashing onto smooth wax, and bubbles rising under buoyancy. Numerical results show that the proposed model can correctly simulate multiphase flows. It was found that the mass is well-conserved in all cases considered by the model developed in the present study. The developed

  5. Lattice Boltzmann heat transfer model for permeable voxels

    Science.gov (United States)

    Pereira, Gerald G.; Wu, Bisheng; Ahmed, Shakil

    2017-12-01

    We develop a gray-scale lattice Boltzmann (LB) model to study fluid flow combined with heat transfer for flow through porous media where voxels may be partially solid (or void). Heat transfer in rocks may lead to deformation, which in turn can modulate the fluid flow and so has significant contribution to rock permeability. The LB temperature field is compared to a finite difference solution of the continuum partial differential equations for fluid flow in a channel. Excellent quantitative agreement is found for both Poiseuille channel flow and Brinkman flow. The LB model is then applied to sample porous media such as packed beds and also more realistic sandstone rock sample, and both the convective and diffusive regimes are recovered when varying the thermal diffusivity. It is found that while the rock permeability can be comparatively small (order milli-Darcy), the temperature field can show significant variation depending on the thermal convection of the fluid. This LB method has significant advantages over other numerical methods such as finite and boundary element methods in dealing with coupled fluid flow and heat transfer in rocks which have irregular and nonsmooth pore spaces.

  6. Entropic Lattice Boltzmann: an implicit Large-Eddy Simulation?

    Science.gov (United States)

    Tauzin, Guillaume; Biferale, Luca; Sbragaglia, Mauro; Gupta, Abhineet; Toschi, Federico; Ehrhardt, Matthias; Bartel, Andreas

    2017-11-01

    We study the modeling of turbulence implied by the unconditionally stable Entropic Lattice Boltzmann Method (ELBM). We first focus on 2D homogeneous turbulence, for which we conduct numerical simulations for a wide range of relaxation times τ. For these simulations, we analyze the effective viscosity obtained by numerically differentiating the kinetic energy and enstrophy balance equations averaged over sub-domains of the computational grid. We aim at understanding the behavior of the implied sub-grid scale model and verify a formulation previously derived using Chapman-Enskog expansion. These ELBM benchmark simulations are thus useful to understand the range of validity of ELBM as a turbulence model. Finally, we will discuss an extension of the previously obtained results to the 3D case. Supported by the European Unions Framework Programme for Research and Innovation Horizon 2020 (2014-2020) under the Marie Sklodowska-Curie Grant Agreement No. 642069 and by the European Research Council under the ERC Grant Agreement No. 339032.

  7. Multiple-relaxation-time lattice Boltzmann model for compressible fluids

    International Nuclear Information System (INIS)

    Chen Feng; Xu Aiguo; Zhang Guangcai; Li Yingjun

    2011-01-01

    We present an energy-conserving multiple-relaxation-time finite difference lattice Boltzmann model for compressible flows. The collision step is first calculated in the moment space and then mapped back to the velocity space. The moment space and corresponding transformation matrix are constructed according to the group representation theory. Equilibria of the nonconserved moments are chosen according to the need of recovering compressible Navier-Stokes equations through the Chapman-Enskog expansion. Numerical experiments showed that compressible flows with strong shocks can be well simulated by the present model. The new model works for both low and high speeds compressible flows. It contains more physical information and has better numerical stability and accuracy than its single-relaxation-time version. - Highlights: → We present an energy-conserving MRT finite-difference LB model. → The moment space is constructed according to the group representation theory. → The new model works for both low and high speeds compressible flows. → It has better numerical stability and wider applicable range than its SRT version.

  8. Poisson-Boltzmann thermodynamics of counterions confined by curved hard walls

    Science.gov (United States)

    Šamaj, Ladislav; Trizac, Emmanuel

    2016-01-01

    We consider a set of identical mobile pointlike charges (counterions) confined to a domain with curved hard walls carrying a uniform fixed surface charge density, the system as a whole being electroneutral. Three domain geometries are considered: a pair of parallel plates, the cylinder, and the sphere. The particle system in thermal equilibrium is assumed to be described by the nonlinear Poisson-Boltzmann theory. While the effectively one-dimensional plates and the two-dimensional cylinder have already been solved, the three-dimensional sphere problem is not integrable. It is shown that the contact density of particles at the charged surface is determined by a first-order Abel differential equation of the second kind which is a counterpart of Enig's equation in the critical theory of gravitation and combustion or explosion. This equation enables us to construct the exact series solutions of the contact density in the regions of small and large surface charge densities. The formalism provides, within the mean-field Poisson-Boltzmann framework, the complete thermodynamics of counterions inside a charged sphere (salt-free system).

  9. Transition point prediction in a multicomponent lattice Boltzmann model: Forcing scheme dependencies

    Science.gov (United States)

    Küllmer, Knut; Krämer, Andreas; Joppich, Wolfgang; Reith, Dirk; Foysi, Holger

    2018-02-01

    Pseudopotential-based lattice Boltzmann models are widely used for numerical simulations of multiphase flows. In the special case of multicomponent systems, the overall dynamics are characterized by the conservation equations for mass and momentum as well as an additional advection diffusion equation for each component. In the present study, we investigate how the latter is affected by the forcing scheme, i.e., by the way the underlying interparticle forces are incorporated into the lattice Boltzmann equation. By comparing two model formulations for pure multicomponent systems, namely the standard model [X. Shan and G. D. Doolen, J. Stat. Phys. 81, 379 (1995), 10.1007/BF02179985] and the explicit forcing model [M. L. Porter et al., Phys. Rev. E 86, 036701 (2012), 10.1103/PhysRevE.86.036701], we reveal that the diffusion characteristics drastically change. We derive a generalized, potential function-dependent expression for the transition point from the miscible to the immiscible regime and demonstrate that it is shifted between the models. The theoretical predictions for both the transition point and the mutual diffusion coefficient are validated in simulations of static droplets and decaying sinusoidal concentration waves, respectively. To show the universality of our analysis, two common and one new potential function are investigated. As the shift in the diffusion characteristics directly affects the interfacial properties, we additionally show that phenomena related to the interfacial tension such as the modeling of contact angles are influenced as well.

  10. THE EFFECT OF CHEMICAL-STRUCTURE UPON THE THERMODYNAMICS OF MICELLIZATION OF MODEL ALKYLARENESULPHONATES - PREDICTION OF MICELLAR PROPERTIES WITH THE POISSON-BOLTZMANN MODEL

    NARCIS (Netherlands)

    Bijma, K; Engberts, J B F N

    This paper describes how the theory of the ''dressed micelle'', which is based on the nonlinear Poisson-Boltzmann equation, can be used to calculate a number of thermodynamic quantities for micellization of sodium p-alkylbenzenesulphonates. From the Gibbs energy of micellization, the enthalpy of

  11. Boltzmann babies in the proper time measure

    Energy Technology Data Exchange (ETDEWEB)

    Bousso, Raphael; Bousso, Raphael; Freivogel, Ben; Yang, I-Sheng

    2007-12-20

    After commenting briefly on the role of the typicality assumption in science, we advocate a phenomenological approach to the cosmological measure problem. Like any other theory, a measure should be simple, general, well defined, and consistent with observation. This allows us to proceed by elimination. As an example, we consider the proper time cutoff on a geodesic congruence. It predicts that typical observers are quantum fluctuations in the early universe, or Boltzmann babies. We sharpen this well-known youngness problem by taking into account the expansion and open spatial geometry of pocket universes. Moreover, we relate the youngness problem directly to the probability distribution for observables, such as the temperature of the cosmic background radiation. We consider a number of modifications of the proper time measure, but find none that would make it compatible with observation.

  12. The Lattice Boltzmann method principles and practice

    CERN Document Server

    Krüger, Timm; Kuzmin, Alexandr; Shardt, Orest; Silva, Goncalo; Viggen, Erlend Magnus

    2017-01-01

    This book is an introduction to the theory, practice, and implementation of the Lattice Boltzmann (LB) method, a powerful computational fluid dynamics method that is steadily gaining attention due to its simplicity, scalability, extensibility, and simple handling of complex geometries. The book contains chapters on the method's background, fundamental theory, advanced extensions, and implementation. To aid beginners, the most essential paragraphs in each chapter are highlighted, and the introductory chapters on various LB topics are front-loaded with special "in a nutshell" sections that condense the chapter's most important practical results. Together, these sections can be used to quickly get up and running with the method. Exercises are integrated throughout the text, and frequently asked questions about the method are dealt with in a special section at the beginning. In the book itself and through its web page, readers can find example codes showing how the LB method can be implemented efficiently on a va...

  13. Flux Limiter Lattice Boltzmann for Compressible Flows

    International Nuclear Information System (INIS)

    Chen Feng; Li Yingjun; Xu Aiguo; Zhang Guangcai

    2011-01-01

    In this paper, a new flux limiter scheme with the splitting technique is successfully incorporated into a multiple-relaxation-time lattice Boltzmann (LB) model for shacked compressible flows. The proposed flux limiter scheme is efficient in decreasing the artificial oscillations and numerical diffusion around the interface. Due to the kinetic nature, some interface problems being difficult to handle at the macroscopic level can be modeled more naturally through the LB method. Numerical simulations for the Richtmyer-Meshkov instability show that with the new model the computed interfaces are smoother and more consistent with physical analysis. The growth rates of bubble and spike present a satisfying agreement with the theoretical predictions and other numerical simulations. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  14. Lattice-Boltzmann Simulation of Tablet Disintegration

    Science.gov (United States)

    Jiang, Jiaolong; Sun, Ning; Gersappe, Dilip

    Using the lattice-Boltzmann method, we developed a 2D model to study the tablet disintegration involving the swelling and wicking mechanisms. The surface area and disintegration profile of each component were obtained by tracking the tablet structure in the simulation. Compared to pure wicking, the total surface area is larger for swelling and wicking, which indicates that the swelling force breaks the neighboring bonds. The disintegration profiles show that the tablet disintegrates faster than pure wicking, and there are more wetted active pharmaceutical ingredient particles distributed on smaller clusters. Our results indicate how the porosity would affect the disintegration process by changing the wetting area of the tablet as well as by changing the swelling force propagation.

  15. Lattice Boltzmann simulation of solute transport in heterogeneous porous media with conduits to estimate macroscopic continuous time random walk model parameters

    Energy Technology Data Exchange (ETDEWEB)

    Anwar, S.; Cortis, A.; Sukop, M.

    2008-10-20

    Lattice Boltzmann models simulate solute transport in porous media traversed by conduits. Resulting solute breakthrough curves are fitted with Continuous Time Random Walk models. Porous media are simulated by damping flow inertia and, when the damping is large enough, a Darcy's Law solution instead of the Navier-Stokes solution normally provided by the lattice Boltzmann model is obtained. Anisotropic dispersion is incorporated using a direction-dependent relaxation time. Our particular interest is to simulate transport processes outside the applicability of the standard Advection-Dispersion Equation (ADE) including eddy mixing in conduits. The ADE fails to adequately fit any of these breakthrough curves.

  16. Lattice Boltzmann method fundamentals and engineering applications with computer codes

    CERN Document Server

    Mohamad, A A

    2014-01-01

    Introducing the Lattice Boltzmann Method in a readable manner, this book provides detailed examples with complete computer codes. It avoids the most complicated mathematics and physics without scarifying the basic fundamentals of the method.

  17. Boltzmann, Gibbs and Darwin-Fowler approaches in parastatistics

    International Nuclear Information System (INIS)

    Ponczek, R.L.; Yan, C.C.

    1976-01-01

    Derivations of the equilibrium values of occupation numbers are made using three approaches, namely, the Boltzmann 'elementary' one, the ensemble method of Gibbs, and that of Darwin and Fowler as well [pt

  18. Simulations of viscoelastic fluids using a coupled lattice Boltzmann method: Transition states of elastic instabilities

    Directory of Open Access Journals (Sweden)

    Jin Su

    2017-11-01

    Full Text Available Elastic instabilities could happen in viscoelastic flows as the Weissenberg number is enlarged, and this phenomenon makes the numerical simulation of viscoelastic fluids more difficult. In this study, we introduce a coupled lattice Boltzmann method to solve the equations of viscoelastic fluids, which has a great capability of simulating the high Weissenberg number problem. Different from some traditional methods, two kinds of distribution functions are defined respectively for the evolution of the momentum and stress tensor equations. We mainly aim to investigate some key factors of the symmetry-breaking transition induced by elastic instability of viscoelastic fluids using this numerical coupled lattice Boltzmann method. In the results, we firstly find that the ratio of kinematical viscosity has an important influence on the transition of the elastic instability; the transition between the single stationary and cycling dominant vortex can be controlled via changing the ratio of kinematical viscosity in a periodic extensional flow. Finally, we can also observe a new transition state of instability for the flow showing the banded structure at higher Weissenberg number.

  19. An improved lattice Boltzmann scheme for multiphase fluid with multi-range interactions

    Energy Technology Data Exchange (ETDEWEB)

    Maquignon, Nicolas; Duchateau, Julien; Roussel, Gilles; Rousselle, François; Renaud, Christophe [Laboratoire Informatique Signal et Image de la Côte d' Opale, 50 rue Ferdinand Buisson, 62100 Calais (France); Université du Littoral Côte d' Opale, 1 place de l' Yser, 59140, Dunkerque (France); Association INNOCOLD, MREI 1, 145 (France)

    2014-10-06

    Modeling of fluids with liquid to gas phase transition has become important for understanding many environmental or industrial processes. Such simulations need new techniques, because traditional solvers are often limited. The Lattice Boltzmann Model (LBM) allows simulate complex fluids, because its mesoscopic nature gives possibility to incorporate additional physics in comparison to usual methods. In this work, an improved lattice Boltzmann model for phase transition flow will be introduced. First, the state of art for Shan and Chen (SC) type of LBM will be reminded. Then, link to real thermodynamics will be established with Maxwell equal areas construction. Convergence to isothermal liquid vapor equilibrium will be shown and discussed. Inclusion of an equation of state for real fluid and better incorporation of force term is presented. Multi-range interactions have been used for SC model, but it hasn't been yet applied to real fluid with non-ideal equation of state. In this work, we evaluate this model when it is applied to real liquid-vapor equilibrium. We show that important differences are found for evaluation of gas density. In order to recover thermodynamic consistency, we use a new scheme for calculation of force term, which is a combination of multi range model and numerical weighting used by Gong and Cheng. We show the superiority of our new model by studying convergence to equilibrium values over a large temperature range. We prove that spurious velocities remaining at equilibrium are decreased.

  20. Discrete Boltzmann modeling of Rayleigh-Taylor instability in two-component compressible flows

    Science.gov (United States)

    Lin, Chuandong; Xu, Aiguo; Zhang, Guangcai; Luo, Kai Hong; Li, Yingjun

    2017-11-01

    A discrete Boltzmann model (DBM) is proposed to probe the Rayleigh-Taylor instability (RTI) in two-component compressible flows. Each species has a flexible specific-heat ratio and is described by one discrete Boltzmann equation (DBE). Independent discrete velocities are adopted for the two DBEs. The collision and force terms in the DBE account for the molecular collision and external force, respectively. Two types of force terms are exploited. In addition to recovering the modified Navier-Stokes equations in the hydrodynamic limit, the DBM has the capability of capturing detailed nonequilibrium effects. Furthermore, we use the DBM to investigate the dynamic process of the RTI. The invariants of tensors for nonequilibrium effects are presented and studied. For low Reynolds numbers, both global nonequilibrium manifestations and the growth rate of the entropy of mixing show three stages (i.e., the reducing, increasing, and then decreasing trends) in the evolution of the RTI. On the other hand, the early reducing tendency is suppressed and even eliminated for high Reynolds numbers. Relevant physical mechanisms are analyzed and discussed.

  1. Dynamic permeability of porous media by the lattice Boltzmann method

    Science.gov (United States)

    Adler, P.; Pazdniakou, A.

    2012-04-01

    The main objective of our work is to determine the dynamic permeability of three dimensional porous media by means of the Lattice Boltzmann method (LBM). The Navier-Stokes equation can be numerically solved by LBM which is widely used to address various fluid dynamics problems. Space is discretized by a three-dimensional cubic lattice and time is discretized as well. The generally accepted notation for lattice Boltzmann models is DdQq where D stands for space dimension and Q for the number of discrete velocities. The present model is denoted by D3Q19. Moreover, the Two Relaxation Times variant of the Multi Relaxation Times model is implemented. Bounce back boundary conditions are used on the solid-fluid interfaces. The porous medium is spatially periodic. Reconstructed media were used; they are obtained by imposing a porosity and a correlation function characterized by a correlation length. Real samples can be obtained by MicroCT. In contrast with other previous contributions, the dynamic permeability K(omega) which is a complex number, is derived by imposing an oscillating body force of pulsation omega on the unit cell and by deriving the amplitude and the phase shift of the resulting time dependent seepage velocity. The influence of two limiting parameters, namely the Knudsen number Kn and the discretization for high frequencies, on K(omega) is carefully studied for the first time. Kn is proportional to nu/(cs H) where nu is the kinematic viscosity, cs the speed of sound in the fluid and H a characteristic length scale of the porous medium. Several porous media such as the classical plane Poiseuille flow and the reconstructed media are used to show that it is only for small enough values of Kn that reliable results are obtained. Otherwise, the data depend on Kn and may even be totally unphysical. However, it should be noticed that the limiting value of Kn could not be derived in general since it depends very much on the structure of the medium. Problems occur at

  2. Numerical investigation of flows in Czochralski crystal growth by an axisymmetric lattice Boltzmann method

    Science.gov (United States)

    Peng, Y.; Shu, C.; Chew, Y. T.; Qiu, J.

    2003-03-01

    An alternative new method called lattice Boltzmann method (LBM) is applied in this work to simulate the flows in Czochralski crystal growth, which is one of the widely used prototypical systems for melt-crystal growth. The standard LBM can only be used in Cartesian coordinate system and we extend it to be applicable to this axisymmetric thermal flow problem, avoiding the use of three-dimensional LBM on Cartesian coordinate system. The extension is based on the following idea. By inserting position and time dependent source terms into the evolution equation of standard LBM, the continuity and NS equations on the cylindrical coordinate system [1] can be recovered. Our extension is validated by its application to the benchmark problem suggested by Wheeler [2].

  3. Numerical investigation of flows in Czochralski crystal growth by an axisymmetric lattice Boltzmann method

    CERN Document Server

    Peng, Y; Chew, Y T; Qiu, J

    2003-01-01

    An alternative new method called lattice Boltzmann method (LBM) is applied in this work to simulate the flows in Czochralski crystal growth, which is one of the widely used prototypical systems for melt-crystal growth. The standard LBM can only be used in Cartesian coordinate system and we extend it to be applicable to this axisymmetric thermal flow problem, avoiding the use of three-dimensional LBM on Cartesian coordinate system. The extension is based on the following idea. By inserting position and time dependent source terms into the evolution equation of standard LBM, the continuity and NS equations on the cylindrical coordinate system can be recovered. Our extension is validated by its application to the benchmark problem suggested by Wheeler .

  4. Numerical investigation of flows in Czochralski crystal growth by an axisymmetric lattice Boltzmann method

    International Nuclear Information System (INIS)

    Peng, Y.; Shu, C.; Chew, Y.T.; Qiu, J.

    2003-01-01

    An alternative new method called lattice Boltzmann method (LBM) is applied in this work to simulate the flows in Czochralski crystal growth, which is one of the widely used prototypical systems for melt-crystal growth. The standard LBM can only be used in Cartesian coordinate system and we extend it to be applicable to this axisymmetric thermal flow problem, avoiding the use of three-dimensional LBM on Cartesian coordinate system. The extension is based on the following idea. By inserting position and time dependent source terms into the evolution equation of standard LBM, the continuity and NS equations on the cylindrical coordinate system can be recovered. Our extension is validated by its application to the benchmark problem suggested by Wheeler

  5. Extended Lattice Boltzmann Method with Application to Predict Aerodynamic Loads of Long Span Bridge

    Science.gov (United States)

    Liu, Tiancheng; Liu, Gao; Li, Yi; Ge, Yaojun

    2010-05-01

    The lattice Boltzmann (LB) method, a new conceptual approach to solve the fluid dynamics problem, is presented at first. The turbulence model is incorporated into the normal LB equation to simulate turbulence flow in the form of turbulence relaxation time determined by the nonequilibrium particle distribution function and Smagorinsky model. The total relaxation time is defined as the contribution of molecule viscosity and turbulence eddy viscosity. The aerodynamic forces on bridge girders are predicted by present LB method and the analysis of flow state is performed. The validity of LB method is verified through comparing the present results with the available experimental data and those obtained from the solutions of Navier-Stockes equation like Reynolds averaged Navier-Stokes (RANS) and discrete vortex method (DVM).

  6. Ludwig Boltzmann, Albert Einstein and Franz Joseph

    International Nuclear Information System (INIS)

    Broda, E.

    1983-01-01

    Under the Emperor Francis Joseph (1848-1916) the natural sciences were less weIl supported in Austria than in other countries of Europe. This is explained by the fact that the German speaking middle classes accepted the preeminence of the feudal forces with their antiscientific attitude. The reason for this readiness to subordination was that those middle classes feIt threatened in their relatively favourable situation by Slavs and Latins. Francis Joseph was the typical representative of the aristocracy. Personally, he did his duty conscientiously and was not corrupt, but progressive ideas and scientific thought were alien to him. From his desk he treated Boltzmann benevolently, but he had no wish to meet personally the greatest mind of the Empire or in any respect to ask his views. Another famous subject of the Emperor, Albert Einstein, was apparently ignored altogether. The structural weakness of Austria, due to the national problems, led to immobilism in her scientific life, but also, up to a point, to tolerance. The impression of Victor Adler on Einstein is considered in this historical context. (author) [de

  7. Income distribution: Boltzmann analysis and its extension

    Science.gov (United States)

    Yuqing, He

    2007-04-01

    The paper aims at describing income distribution in moderate income regions. Starting with dividing income behaviors into the two parts: random and deterministic, and by introducing “instantaneous model” for theoretical derivations and “cumulative model” for positive tests, this paper applies the equilibrium approach of statistical mechanics in the study of nonconserved individual income course. The random income follows a stationary distribution similar to the Maxwell-Boltzmann distribution in the instantaneous model. Combining this result with marginal analysis, the probability distribution of individual income process that is composed of the random and deterministic income courses approximately obeys a distribution law mixing exponential function with a logarithmic prefactor. Using the census or income survey data of USA, UK, Japan, and New Zealand, the distribution law has been tested. The results show that it agrees very well with most of the empirical data. The discussion suggests that there might be essentially different income processes to happen in moderate and high income regions.

  8. Multicomponent gas mixture air bearing modeling via lattice Boltzmann method

    Science.gov (United States)

    Tae Kim, Woo; Kim, Dehee; Hari Vemuri, Sesha; Kang, Soo-Choon; Seung Chung, Pil; Jhon, Myung S.

    2011-04-01

    As the demand for ultrahigh recording density increases, development of an integrated head disk interface (HDI) modeling tool, which considers the air bearing and lubricant film morphology simultaneously is of paramount importance. To overcome the shortcomings of the existing models based on the modified Reynolds equation (MRE), the lattice Boltzmann method (LBM) is a natural choice in modeling high Knudsen number (Kn) flows owing to its advantages over conventional methods. The transient and parallel nature makes this LBM an attractive tool for the next generation air bearing design. Although LBM has been successfully applied to single component systems, a multicomponent system analysis has been thwarted because of the complexity in coupling the terms for each component. Previous studies have shown good results in modeling immiscible component mixtures by use of an interparticle potential. In this paper, we extend our LBM model to predict the flow rate of high Kn pressure-driven flows in multicomponent gas mixture air bearings, such as the air-helium system. For accurate modeling of slip conditions near the wall, we adopt our LBM scheme with spatially dependent relaxation times for air bearings in HDIs. To verify the accuracy of our code, we tested our scheme via simple two-dimensional benchmark flows. In the pressure-driven flow of an air-helium mixture, we found that the simple linear combination of pure helium and pure air flow rates, based on helium and air mole fraction, gives considerable error when compared to our LBM calculation. Hybridization with the existing MRE database can be adopted with the procedure reported here to develop the state-of-the-art slider design software.

  9. 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.

  10. Double multiple-relaxation-time lattice Boltzmann model for solid-liquid phase change with natural convection in porous media

    Science.gov (United States)

    Liu, Qing; He, Ya-Ling

    2015-11-01

    In this paper, a double multiple-relaxation-time lattice Boltzmann model is developed for simulating transient solid-liquid phase change problems in porous media at the representative elementary volume scale. The model uses two different multiple-relaxation-time lattice Boltzmann equations, one for the flow field and the other for the temperature field with nonlinear latent heat source term. The model is based on the generalized non-Darcy formulation, and the solid-liquid interface is traced through the liquid fraction which is determined by the enthalpy-based method. The present model is validated by numerical simulations of conduction melting in a semi-infinite space, solidification in a semi-infinite corner, and convection melting in a square cavity filled with porous media. The numerical results demonstrate the efficiency and accuracy of the present model for simulating transient solid-liquid phase change problems in porous media.

  11. A multi-component lattice Boltzmann scheme: towards the mesoscale simulation of blood flow.

    Science.gov (United States)

    Dupin, M M; Halliday, I; Care, C M

    2006-01-01

    While blood at the macroscopic scale is frequently treated as a continuum by techniques such as computational fluid dynamics, its mesoscale behaviour is not so well investigated or understood. At this scale, the deformability of each cell within the plasma is important and cannot be ignored. However there is currently a lack of efficient computational techniques able to simulate a large number of deformable particles such as blood cells. This paper addresses this problem and demonstrates the applicability of the authors' recent multi-component lattice Boltzmann method for the simulation of a large number of mutually immiscible liquid species [Dupin MM, Halliday I, Care CM. Multi-component lattice boltzmann equation for mesoscale blood flow. J Phys A: Math Gen 2003;36:8517-34]. In here, biological cells are treated as immiscible, deformable, and relatively viscous drops (compared to the surrounding fluid). The validation of the model is based on the work of Goldsmith on the flow of solid particles, deformable particles and red blood cells [Goldsmith HL, Marlow JC. Flow behavior of erythrocytes. II. Particle motions in concentrated suspensions of ghost cells. J Colloid Interf Sci 1979;71:383-407]. We demonstrate, in particular, that the model recovers Goldsmith's observations on the flow properties of red blood cells and also the experimental observations of Frank on the flow of solid beads [Frank M, Anderson D, Weeks ER, Morris JF. Particle migration in pressure-driven flow of a brownian suspension. J Fluid Mech 2003;493:363-78]. The current article is the first validation of our new lattice Boltzmann model for a large number of deformable particles in this context and demonstrates that the method provides a new, and effective, approach for the modeling of mesoscale blood flow.

  12. Grid refinement for aeroacoustics in the lattice Boltzmann method: A directional splitting approach

    Science.gov (United States)

    Gendre, Félix; Ricot, Denis; Fritz, Guillaume; Sagaut, Pierre

    2017-08-01

    This study focuses on grid refinement techniques for the direct simulation of aeroacoustics, when using weakly compressible lattice Boltzmann models, such as the D3Q19 athermal velocity set. When it comes to direct noise computation, very small errors on the density or pressure field may have great negative consequences. Even strong acoustic density fluctuations have indeed a clearly lower amplitude than the hydrodynamic ones. This work deals with such very weak spurious fluctuations that emerge when a vortical structure crosses a refinement interface, which may contaminate the resulting aeroacoustic field. We show through an extensive literature review that, within the framework described above, this issue has never been addressed before. To tackle this problem, we develop an alternative algorithm and compare its behavior to a classical one, which fits our in-house vertex-centered data structure. Our main idea relies on a directional splitting of the continuous discrete velocity Boltzmann equation, followed by an integration over specific characteristics. This method can be seen as a specific coupling between finite difference and lattice Boltzmann, locally on the interface between the two grids. The method is assessed considering two cases: an acoustic pulse and a convected vortex. We show how very small errors on the density field arise and propagate throughout the domain when a vortical flow crosses the refinement interface. We also show that an increased free stream Mach number (but still within the weakly compressible regime) strongly deteriorates the situation, although the magnitude of the errors may remain negligible for purely aerodynamic studies. A drastically reduced level of error for the near-field spurious noise is obtained with our approach, especially for under-resolved simulations, a situation that is crucial for industrial applications. Thus, the vortex case is proved useful for aeroacoustic validations of any grid refinement algorithm.

  13. Lattice Boltzmann Methods to Address Fundamental Boiling and Two-Phase Problems

    Energy Technology Data Exchange (ETDEWEB)

    Uddin, Rizwan

    2012-01-01

    This report presents the progress made during the fourth (no cost extension) year of this three-year grant aimed at the development of a consistent Lattice Boltzmann formulation for boiling and two-phase flows. During the first year, a consistent LBM formulation for the simulation of a two-phase water-steam system was developed. Results of initial model validation in a range of thermo-dynamic conditions typical for Boiling Water Reactors (BWRs) were shown. Progress was made on several fronts during the second year. Most important of these included the simulation of the coalescence of two bubbles including the surface tension effects. Work during the third year focused on the development of a new lattice Boltzmann model, called the artificial interface lattice Boltzmann model (AILB model) for the 3 simulation of two-phase dynamics. The model is based on the principle of free energy minimization and invokes the Gibbs-Duhem equation in the formulation of non-ideal forcing function. This was reported in detail in the last progress report. Part of the efforts during the last (no-cost extension) year were focused on developing a parallel capability for the 2D as well as for the 3D codes developed in this project. This will be reported in the final report. Here we report the work carried out on testing the AILB model for conditions including the thermal effects. A simplified thermal LB model, based on the thermal energy distribution approach, was developed. The simplifications are made after neglecting the viscous heat dissipation and the work done by pressure in the original thermal energy distribution model. Details of the model are presented here, followed by a discussion of the boundary conditions, and then results for some two-phase thermal problems.

  14. An integrated Boltzmann+hydrodynamics approach to heavy ion collisions

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Hannah

    2009-04-22

    In this thesis the first fully integrated Boltzmann+hydrodynamics approach to relativistic heavy ion reactions has been developed. After a short introduction that motivates the study of heavy ion reactions as the tool to get insights about the QCD phase diagram, the most important theoretical approaches to describe the system are reviewed. The hadron-string transport approach that this work is based on is the Ultra-relativistic Quantum Molecular Dynamics (UrQMD) approach. Predictions for the charged particle multiplicities at LHC energies are made. The next step is the development of a new framework to calculate the baryon number density in a transport approach. Time evolutions of the net baryon number and the quark density have been calculated at AGS, SPS and RHIC energies. Studies of phase diagram trajectories using hydrodynamics are performed. The hybrid approach that has been developed as the main part of this thesis is based on the UrQMD transport approach with an intermediate hydrodynamical evolution for the hot and dense stage of the collision. The full (3+1) dimensional ideal relativistic one fluid dynamics evolution is solved using the SHASTA algorithm. Three different equations of state have been used, namely a hadron gas equation of state without a QGP phase transition, a chiral EoS and a bag model EoS including a strong first order phase transition. For the freeze-out transition from hydrodynamics to the cascade calculation two different set-ups are employed. The parameter dependences of the model are investigated and the time evolution of different quantities is explored. The hybrid model calculation is able to reproduce the experimentally measured integrated as well as transverse momentum dependent v{sub 2} values for charged particles. The multiplicity and mean transverse mass excitation function is calculated for pions, protons and kaons in the energy range from E{sub lab}=2-160 A GeV. The HBT correlation of the negatively charged pion source

  15. The intellectual quadrangle: Mach-Boltzmann-Planck-Einstein

    International Nuclear Information System (INIS)

    Broda, E.

    1981-01-01

    These four men were influential in the transition from classical to modern physics. They interacted as scientists, often antagonistically. Thus Boltzmann was the greatest champion of the atom, while Mach remained unconvinced all his life. As a aphysicist, Einstein was greatly influenced by both Mach and Boltzmann, although Mach in the end rejected relativity as well. Because of his work on statistical mechanics, fluctuations, and quantum theory, Einstein has been called the natural successor to Boltzmann. Planck also was influenced by Mach at first. Hence he and Boltzmann were adversaries antil Planck converted to atomistics in 1900 and used the statistical interpretation of entropy to establish his radiation law. Planck accepted relativity early, but in quantum theory he was for a long time partly opposed to Einstein, and vice versa - Einstein considered Planck's derivation of his radiation law as unsound, while Planck could not accept the light quantum. In the case of all four physicists, science was interwoven with philosophy. Boltzmann consistently fought Mach's positivism, while Planck and Einstein moved from positivism to realism. All were also, though in very different ways, actively interested in public affairs. (orig.)

  16. Phase-field-based lattice Boltzmann modeling of large-density-ratio two-phase flows

    Science.gov (United States)

    Liang, Hong; Xu, Jiangrong; Chen, Jiangxing; Wang, Huili; Chai, Zhenhua; Shi, Baochang

    2018-03-01

    In this paper, we present a simple and accurate lattice Boltzmann (LB) model for immiscible two-phase flows, which is able to deal with large density contrasts. This model utilizes two LB equations, one of which is used to solve the conservative Allen-Cahn equation, and the other is adopted to solve the incompressible Navier-Stokes equations. A forcing distribution function is elaborately designed in the LB equation for the Navier-Stokes equations, which make it much simpler than the existing LB models. In addition, the proposed model can achieve superior numerical accuracy compared with previous Allen-Cahn type of LB models. Several benchmark two-phase problems, including static droplet, layered Poiseuille flow, and spinodal decomposition are simulated to validate the present LB model. It is found that the present model can achieve relatively small spurious velocity in the LB community, and the obtained numerical results also show good agreement with the analytical solutions or some available results. Lastly, we use the present model to investigate the droplet impact on a thin liquid film with a large density ratio of 1000 and the Reynolds number ranging from 20 to 500. The fascinating phenomena of droplet splashing is successfully reproduced by the present model and the numerically predicted spreading radius exhibits to obey the power law reported in the literature.

  17. The radiative transport equation in flatland with separation of variables

    Energy Technology Data Exchange (ETDEWEB)

    Machida, Manabu, E-mail: mmachida@ms.u-tokyo.ac.jp [Department of Mathematical Sciences, The University of Tokyo, Komaba, Meguro, Tokyo 153-8914 (Japan)

    2016-07-15

    The linear Boltzmann equation can be solved with separation of variables in one dimension, i.e., in three-dimensional space with planar symmetry. In this method, solutions are given by superpositions of eigenmodes which are sometimes called singular eigenfunctions. In this paper, we explore the singular-eigenfunction approach in flatland or two-dimensional space.

  18. The radiative transport equation in flatland with separation of variables

    Science.gov (United States)

    Machida, Manabu

    2016-07-01

    The linear Boltzmann equation can be solved with separation of variables in one dimension, i.e., in three-dimensional space with planar symmetry. In this method, solutions are given by superpositions of eigenmodes which are sometimes called singular eigenfunctions. In this paper, we explore the singular-eigenfunction approach in flatland or two-dimensional space.

  19. Tomography and generative training with quantum Boltzmann machines

    Science.gov (United States)

    Kieferová, Mária; Wiebe, Nathan

    2017-12-01

    The promise of quantum neural nets, which utilize quantum effects to model complex data sets, has made their development an aspirational goal for quantum machine learning and quantum computing in general. Here we provide methods of training quantum Boltzmann machines. Our work generalizes existing methods and provides additional approaches for training quantum neural networks that compare favorably to existing methods. We further demonstrate that quantum Boltzmann machines enable a form of partial quantum state tomography that further provides a generative model for the input quantum state. Classical Boltzmann machines are incapable of this. This verifies the long-conjectured connection between tomography and quantum machine learning. Finally, we prove that classical computers cannot simulate our training process in general unless BQP=BPP , provide lower bounds on the complexity of the training procedures and numerically investigate training for small nonstoquastic Hamiltonians.

  20. Stabilizing the thermal lattice Boltzmann method by spatial filtering.

    Science.gov (United States)

    Gillissen, J J J

    2016-10-01

    We propose to stabilize the thermal lattice Boltzmann method by filtering the second- and third-order moments of the collision operator. By means of the Chapman-Enskog expansion, we show that the additional numerical diffusivity diminishes in the low-wavnumber limit. To demonstrate the enhanced stability, we consider a three-dimensional thermal lattice Boltzmann system involving 33 discrete velocities. Filtering extends the linear stability of this thermal lattice Boltzmann method to 10-fold smaller transport coefficients. We further demonstrate that the filtering does not compromise the accuracy of the hydrodynamics by comparing simulation results to reference solutions for a number of standardized test cases, including natural convection in two dimensions.

  1. An efficient immersed boundary-lattice Boltzmann method for the hydrodynamic interaction of elastic filaments

    Science.gov (United States)

    Tian, Fang-Bao; Luo, Haoxiang; Zhu, Luoding; Liao, James C.; Lu, Xi-Yun

    2012-01-01

    We have introduced a modified penalty approach into the flow-structure interaction solver that combines an immersed boundary method (IBM) and a multi-block lattice Boltzmann method (LBM) to model an incompressible flow and elastic boundaries with finite mass. The effect of the solid structure is handled by the IBM in which the stress exerted by the structure on the fluid is spread onto the collocated grid points near the boundary. The fluid motion is obtained by solving the discrete lattice Boltzmann equation. The inertial force of the thin solid structure is incorporated by connecting this structure through virtual springs to a ghost structure with the equivalent mass. This treatment ameliorates the numerical instability issue encountered in this type of problems. Thanks to the superior efficiency of the IBM and LBM, the overall method is extremely fast for a class of flow-structure interaction problems where details of flow patterns need to be resolved. Numerical examples, including those involving multiple solid bodies, are presented to verify the method and illustrate its efficiency. As an application of the present method, an elastic filament flapping in the Kármán gait and the entrainment regions near a cylinder is studied to model fish swimming in these regions. Significant drag reduction is found for the filament, and the result is consistent with the metabolic cost measured experimentally for the live fish. PMID:23564971

  2. Effects of Nanoparticles on Melting Process with Phase-Change Using the Lattice Boltzmann Method

    KAUST Repository

    Ibrahem, Ahmed M.

    2017-05-04

    In this work, the problem of nanoparticles dispersion effects on coupled heat transfer and solid-liquid phase change has been studied. The lattice Boltzmann method (LBM) enthalpy-based is employed. The collision model of lattice Bhatangar-Gross-Krook (LBGK) is used to solve the problem of 1D melting by conduction. On the other hand, we use the model of multi-distribution functions (MDF) to calculate the density, the velocity and the temperature for the problem of 2D melting by free convection, associated with different boundary conditions. In these simulations, the volume fractions of copper nanoparticles (0-2%) added to water-base fluid and Rayleigh numbers of 103to105. We use the Chapman-Enskog expansion to derive the governing macroscopic quantities from the mesoscopic lattice Boltzmann equation. The results obtained by these models have been compared to an analytical solution or other numerical methods. The effects of nanoparticles on conduction and natural convection during the melting process have been investigated. Moreover, the influences of nanoparticles on moving of the phase change front, the thermal conductivity and the latent heat of fusion are also studied.

  3. Thermal transport in isotopically disordered carbon nanotubes: a comparison between Green's functions and Boltzmann approaches

    International Nuclear Information System (INIS)

    Stoltz, G; Lazzeri, M; Mauri, F

    2009-01-01

    We present a study of the phononic thermal conductivity of isotopically disordered carbon nanotubes. In particular, the behaviour of the thermal conductivity as a function of the system length is investigated, using Green's function techniques to compute the transmission across the system. The method is implemented using linear scaling algorithms, which allow us to reach systems of lengths up to L = 2.5 μm (with up to 200 000 atoms). As for 1D systems, it is observed that the conductivity diverges with the system size L. We also observe a dramatic decrease of the thermal conductance for systems of experimental sizes (roughly 80% at room temperature for L = 2.5 μm), when a large fraction of isotopic disorder is introduced. The results obtained with Green's function techniques are compared to results obtained with a Boltzmann description of thermal transport. There is a good agreement between both approaches for systems of experimental sizes, even in the presence of Anderson localization. This is particularly interesting since the computation of the transmission using Boltzmann's equation is much less computationally expensive, so that larger systems may be studied with this method.

  4. A Non-Isothermal Chemical Lattice Boltzmann Model Incorporating Thermal Reaction Kinetics and Enthalpy Changes

    Directory of Open Access Journals (Sweden)

    Stuart Bartlett

    2017-08-01

    Full Text Available The lattice Boltzmann method is an efficient computational fluid dynamics technique that can accurately model a broad range of complex systems. As well as single-phase fluids, it can simulate thermohydrodynamic systems and passive scalar advection. In recent years, it also gained attention as a means of simulating chemical phenomena, as interest in self-organization processes increased. This paper will present a widely-used and versatile lattice Boltzmann model that can simultaneously incorporate fluid dynamics, heat transfer, buoyancy-driven convection, passive scalar advection, chemical reactions and enthalpy changes. All of these effects interact in a physically accurate framework that is simple to code and readily parallelizable. As well as a complete description of the model equations, several example systems will be presented in order to demonstrate the accuracy and versatility of the method. New simulations, which analyzed the effect of a reversible reaction on the transport properties of a convecting fluid, will also be described in detail. This extra chemical degree of freedom was utilized by the system to augment its net heat flux. The numerical method outlined in this paper can be readily deployed for a vast range of complex flow problems, spanning a variety of scientific disciplines.

  5. Discrete Boltzmann Method with Maxwell-Type Boundary Condition for Slip Flow

    Science.gov (United States)

    Zhang, Yu-Dong; Xu, Ai-Guo; Zhang, Guang-Cai; Chen, Zhi-Hua

    2018-01-01

    The rarefied effect of gas flow in microchannel is significant and cannot be well described by traditional hydrodynamic models. It has been known that discrete Boltzmann model (DBM) has the potential to investigate flows in a relatively wider range of Knudsen number because of its intrinsic kinetic nature inherited from Boltzmann equation. It is crucial to have a proper kinetic boundary condition for DBM to capture the velocity slip and the flow characteristics in the Knudsen layer. In this paper, we present a DBM combined with Maxwell-type boundary condition model for slip flow. The tangential momentum accommodation coefficient is introduced to implement a gas-surface interaction model. Both the velocity slip and the Knudsen layer under various Knudsen numbers and accommodation coefficients can be well described. Two kinds of slip flows, including Couette flow and Poiseuille flow, are simulated to verify the model. To dynamically compare results from different models, the relation between the definition of Knudsen number in hard sphere model and that in BGK model is clarified. Support of National Natural Science Foundation of China under Grant Nos. 11475028, 11772064, and 11502117 Science Challenge Project under Grant Nos. JCKY2016212A501 and TZ2016002

  6. Boltzmann learning of parameters in cellular neural networks

    DEFF Research Database (Denmark)

    Hansen, Lars Kai

    1992-01-01

    The use of Bayesian methods to design cellular neural networks for signal processing tasks and the Boltzmann machine learning rule for parameter estimation is discussed. The learning rule can be used for models with hidden units, or for completely unsupervised learning. The latter is exemplified ...... by unsupervised adaptation of an image segmentation cellular network. The learning rule is applied to adaptive segmentation of satellite imagery......The use of Bayesian methods to design cellular neural networks for signal processing tasks and the Boltzmann machine learning rule for parameter estimation is discussed. The learning rule can be used for models with hidden units, or for completely unsupervised learning. The latter is exemplified...

  7. On a Boltzmann-type price formation model

    KAUST Repository

    Burger, Martin

    2013-06-26

    In this paper, we present a Boltzmann-type price formation model, which is motivated by a parabolic free boundary model for the evolution of price presented by Lasry and Lions in 2007. We discuss the mathematical analysis of the Boltzmann-type model and show that its solutions converge to solutions of the model by Lasry and Lions as the transaction rate tends to infinity. Furthermore, we analyse the behaviour of the initial layer on the fast time scale and illustrate the price dynamics with various numerical experiments. © 2013 The Author(s) Published by the Royal Society. All rights reserved.

  8. Hilbert asymptotic expansion method for evolution equations in Banach spaces

    International Nuclear Information System (INIS)

    Mika, J.

    1978-01-01

    In the paper an abstract initial value problem for a singularly perturbed linear evolution equation in a Banach space is considered. The evolution operator consists of two operators. One of them having an eigenvalue at the origin is multiplied by 1/epsilon where epsilon is a small positive parameter. The Hilbert expansion method is applied to solving the problem and the asymptotic solution is shown to converge uniformly to the exact one with epsilon tending to zero. The results of the paper are applicable to the linear Boltzmann equation if the scattering operator is bounded and the streaming operator is represented in the finite-differnce form. As an example, the Boltzmann equation for neutrons is considered and the Hilbert expansion used to derive the diffusion equation. (author)

  9. Lattice Boltzmann simulations of pressure-driven flows in microchannels using Navier–Maxwell slip boundary conditions

    KAUST Repository

    Reis, Tim

    2012-01-01

    We present lattice Boltzmann simulations of rarefied flows driven by pressure drops along two-dimensional microchannels. Rarefied effects lead to non-zero cross-channel velocities, nonlinear variations in the pressure along the channel. Both effects are absent in flows driven by uniform body forces. We obtain second-order accuracy for the two components of velocity the pressure relative to asymptotic solutions of the compressible Navier-Stokes equations with slip boundary conditions. Since the common lattice Boltzmann formulations cannot capture Knudsen boundary layers, we replace the usual discrete analogs of the specular diffuse reflection conditions from continuous kinetic theory with a moment-based implementation of the first-order Navier-Maxwell slip boundary conditions that relate the tangential velocity to the strain rate at the boundary. We use these conditions to solve for the unknown distribution functions that propagate into the domain across the boundary. We achieve second-order accuracy by reformulating these conditions for the second set of distribution functions that arise in the derivation of the lattice Boltzmann method by an integration along characteristics. Our moment formalism is also valuable for analysing the existing boundary conditions. It reveals the origin of numerical slip in the bounce-back other common boundary conditions that impose conditions on the higher moments, not on the local tangential velocity itself. © 2012 American Institute of Physics.

  10. Evaluation of permeability and non-Darcy flow in vuggy macroporous limestone aquifer samples with lattice Boltzmann methods

    Science.gov (United States)

    Sukop, Michael C.; Huang, Haibo; Alvarez, Pedro F.; Variano, Evan A.; Cunningham, Kevin J.

    2013-01-01

    Lattice Boltzmann flow simulations provide a physics-based means of estimating intrinsic permeability from pore structure and accounting for inertial flow that leads to departures from Darcy's law. Simulations were used to compute intrinsic permeability where standard measurement methods may fail and to provide better understanding of departures from Darcy's law under field conditions. Simulations also investigated resolution issues. Computed tomography (CT) images were acquired at 0.8 mm interscan spacing for seven samples characterized by centimeter-scale biogenic vuggy macroporosity from the extremely transmissive sole-source carbonate karst Biscayne aquifer in southeastern Florida. Samples were as large as 0.3 m in length; 7–9 cm-scale-length subsamples were used for lattice Boltzmann computations. Macroporosity of the subsamples was as high as 81%. Matrix porosity was ignored in the simulations. Non-Darcy behavior led to a twofold reduction in apparent hydraulic conductivity as an applied hydraulic gradient increased to levels observed at regional scale within the Biscayne aquifer; larger reductions are expected under higher gradients near wells and canals. Thus, inertial flows and departures from Darcy's law may occur under field conditions. Changes in apparent hydraulic conductivity with changes in head gradient computed with the lattice Boltzmann model closely fit the Darcy-Forchheimer equation allowing estimation of the Forchheimer parameter. CT-scan resolution appeared adequate to capture intrinsic permeability; however, departures from Darcy behavior were less detectable as resolution coarsened.

  11. Ethic and Evolution in Boltzmann's and Einstein's Thought

    International Nuclear Information System (INIS)

    Broda, E.

    1980-01-01

    In physics and to a large extent in epistomology, Einstein was the natural successor to Boltzmann. But while Boltzmann was an ardent evolutionist, Einstein cared little for biology. Boltzmann applied Darwinian principles also to ethics, but remained aloof from politics. In contrast, Einstein's morality, though expressed in magnificent and selfless activity, lacked a firm theoretical basis. (author)

  12. Lattice Boltzmann simulations of bubble formation in a microfluidic T-junction.

    Science.gov (United States)

    Amaya-Bower, Luz; Lee, Taehun

    2011-06-28

    A lattice Boltzmann equation method based on the Cahn-Hilliard diffuse interface theory is developed to investigate the bubble formation process in a microchannel with T-junction mixing geometry. The bubble formation process has different regimes, namely, squeezing, dripping and jetting regimes, which correspond to the primary forces acting on the system. Transition from regime to regime is generally dictated by the capillary number Ca, volumetric flow ratio Q and viscosity ratio λ. A systematic analysis is performed to evaluate these effects. The computations are performed in the range of 10(-4)

  13. Influence of thermal fluctuations on ligament break-up: a fluctuating lattice Boltzmann study

    Science.gov (United States)

    Xue, Xiao; Biferale, Luca; Sbragaglia, Mauro; Toschi, Federico

    2017-11-01

    Thermal fluctuations are essential ingredients in a nanoscale system, driving Brownian motion of particles and capillary waves at non-ideal interfaces. Here we study the influence of thermal fluctuations on the breakup of liquid ligaments at the nanoscale. We offer quantitative characterization of the effects of thermal fluctuations on the Plateau-Rayleigh mechanism that drives the breakup process of ligaments. Due to thermal fluctuations, the droplet sizes after break-up need to be analyzed in terms of their distribution over an ensemble made of repeated experiments. To this aim, we make use of numerical simulations based on the fluctuating lattice Boltzmann method (FLBM) for multicomponent mixtures. The method allows an accurate and efficient simulation of the fluctuating hydrodynamics equations of a binary mixture, where both stochastic viscous stresses and diffusion fluxes are introduced. This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No 642069.

  14. Simulating gas-liquid flow in a micro-channel with the lattice Boltzmann method

    Science.gov (United States)

    Shi, Grace; Lazouskaya, Volha; Jin, Yan; Wang, Lian-Ping

    2007-11-01

    The flows of water in natural soil porous media with air-water interface are important to colloid-facilitated transport of contaminants and other phenomena with groundwater as the carrier. These flows are complex in terms of the geometrical feature and physical and chemical forces involved. As first step, we here demonstrate that a gas-liquid interfacial viscous flow in a 3D micro-channel with a square cross-section can be simulated using the lattice Boltzmann method. The talk will cover the detailed ingredients of the two-phase LBE model including the proper equation of state, surface tension, and the triple-phase boundary conditions. Methods to improve the stability of the code such as using multiple relaxation times will be tested. Preliminary results will be presented and compared to parallel experimental observations using confocal laser scanning microscopy.

  15. Fluid-Structure Interaction based on Lattice Boltzmann and p-FEM

    Science.gov (United States)

    Ahrenholz, Benjamin; Geller, Sebastian; Krafczyk, Manfred

    2010-03-01

    Over the last decade the Lattice Boltzmann Method (LBM) has matured as an efficient method for solving the Navier-Stokes equations. The p-version of the Finite Element Method (p-FEM) has proved to be highly efficient for a variety of problems in the field of structural mechanics. The focus of this contribution is to investigate the validity and efficiency of the coupling of two completely different numerical methods to simulate transient bidirectional Fluid-Structure Interaction (FSI) problems with very large structural deflections. In this contribution the treatment of moving boundaries in the fluid solver is presented, the computation of tractions and displacements on the boundary as well as the explicit coupling algorithm itself. In addition, efficiency aspects of the two approaches for two- and three-dimensional laminar flow examples at intermediate Reynolds numbers are discussed. Finally we give an outlook on modeling turbulent FSI problems.

  16. A Parallel Lattice Boltzmann Model of a Carotid Artery

    Science.gov (United States)

    Boyd, J.; Ryan, S. J.; Buick, J. M.

    2008-11-01

    A parallel implementation of the lattice Boltzmann model is considered for a three dimensional model of the carotid artery. The computational method and its parallel implementation are described. The performance of the parallel implementation on a Beowulf cluster is presented, as are preliminary hemodynamic results.

  17. Boltzmann and Einstein: Statistics and dynamics – An unsolved ...

    Indian Academy of Sciences (India)

    ... of watching the ever-shifting battle!” (not to see its outcome). Acknowledgements. The author would like to express my deep appreciation to the IUPAP Commission on Statistical Physics for awarding me the Boltzmann medal 2004. The author is also indebted for financial assistance to the Organizers of STATPHYS 22, T V ...

  18. Classifying images using restricted Boltzmann machines and convolutional neural networks

    Science.gov (United States)

    Zhao, Zhijun; Xu, Tongde; Dai, Chenyu

    2017-07-01

    To improve the feature recognition ability of deep model transfer learning, we propose a hybrid deep transfer learning method for image classification based on restricted Boltzmann machines (RBM) and convolutional neural networks (CNNs). It integrates learning abilities of two models, which conducts subject classification by exacting structural higher-order statistics features of images. While the method transfers the trained convolutional neural networks to the target datasets, fully-connected layers can be replaced by restricted Boltzmann machine layers; then the restricted Boltzmann machine layers and Softmax classifier are retrained, and BP neural network can be used to fine-tuned the hybrid model. The restricted Boltzmann machine layers has not only fully integrated the whole feature maps, but also learns the statistical features of target datasets in the view of the biggest logarithmic likelihood, thus removing the effects caused by the content differences between datasets. The experimental results show that the proposed method has improved the accuracy of image classification, outperforming other methods on Pascal VOC2007 and Caltech101 datasets.

  19. Revisiting Boltzmann learning: parameter estimation in Markov random fields

    DEFF Research Database (Denmark)

    Hansen, Lars Kai; Andersen, Lars Nonboe; Kjems, Ulrik

    1996-01-01

    and generalization in the context of Boltzmann machines. We provide an illustrative example concerning parameter estimation in an inhomogeneous Markov field. The regularized adaptation produces a parameter set that closely resembles the “teacher” parameters, hence, will produce segmentations that closely reproduce...

  20. Some properties of the Boltzmann elastic collision operator

    International Nuclear Information System (INIS)

    Delcroix, J. L.; Salmon, J.

    1959-01-01

    The authors point out some properties (an important one is a variational property) of the Boltzmann elastic collision operator, valid in a more general framework than that of the Lorentz gas. Reprint of a paper published in 'Le journal de physique et le radium', tome 20, Jun 1959, p. 594-596 [fr

  1. Progress in lattice Boltzmann methods for magnetohydrodynamic flows relevant to fusion applications

    International Nuclear Information System (INIS)

    Pattison, M.J.; Premnath, K.N.; Morley, N.B.; Abdou, M.A.

    2008-01-01

    In this paper, an approach to simulating magnetohydrodynamic (MHD) flows based on the lattice Boltzmann method (LBM) is presented. The dynamics of the flow are simulated using a so-called multiple relaxation time (MRT) lattice Boltzmann equation (LBE), in which a source term is included for the Lorentz force. The evolution of the magnetic induction is represented by introducing a vector distribution function and then solving an appropriate lattice kinetic equation for this function. The solution of both distribution functions are obtained through a simple, explicit, and computationally efficient stream-and-collide procedure. The use of the MRT collision term enhances the numerical stability over that of a single relaxation time approach. To apply the methodology to solving practical problems, a new extrapolation-based method for imposing magnetic boundary conditions is introduced and a technique for simulating steady-state flows with low magnetic Prandtl number is developed. In order to resolve thin layers near the walls arising in the presence of high magnetic fields, a non-uniform gridding strategy is introduced through an interpolated-streaming step applied to both distribution functions. These advances are particularly important for applications in fusion engineering where liquid metal flows with low magnetic Prandtl numbers and high Hartmann numbers are introduced. A number of MHD benchmark problems, under various physical and geometrical conditions are presented, including 3-D MHD lid driven cavity flow, high Hartmann number flows and turbulent MHD flows, with good agreement with prior data. Due to the local nature of the method, the LBM also demonstrated excellent performance on parallel machines, with almost linear scaling up to 128 processors for a MHD flow problem

  2. Free-energy functionals of the electrostatic potential for Poisson-Boltzmann theory.

    Science.gov (United States)

    Jadhao, Vikram; Solis, Francisco J; de la Cruz, Monica Olvera

    2013-08-01

    In simulating charged systems, it is often useful to treat some ionic components of the system at the mean-field level and solve the Poisson-Boltzmann (PB) equation to get their respective density profiles. The numerically intensive task of solving the PB equation at each step of the simulation can be bypassed using variational methods that treat the electrostatic potential as a dynamic variable. But such approaches require the access to a true free-energy functional: a functional that not only provides the correct solution of the PB equation upon extremization, but also evaluates to the true free energy of the system at its minimum. Moreover, the numerical efficiency of such procedures is further enhanced if the free-energy functional is local and is expressed in terms of the electrostatic potential. Existing PB functionals of the electrostatic potential, while possessing the local structure, are not free-energy functionals. We present a variational formulation with a local free-energy functional of the potential. In addition, we also construct a nonlocal free-energy functional of the electrostatic potential. These functionals are suited for employment in simulation schemes based on the ideas of dynamical optimization.

  3. Hypocoercivity for linear kinetic equations conserving mass

    KAUST Repository

    Dolbeault, Jean

    2015-02-03

    We develop a new method for proving hypocoercivity for a large class of linear kinetic equations with only one conservation law. Local mass conservation is assumed at the level of the collision kernel, while transport involves a confining potential, so that the solution relaxes towards a unique equilibrium state. Our goal is to evaluate in an appropriately weighted $ L^2$ norm the exponential rate of convergence to the equilibrium. The method covers various models, ranging from diffusive kinetic equations like Vlasov-Fokker-Planck equations, to scattering models or models with time relaxation collision kernels corresponding to polytropic Gibbs equilibria, including the case of the linear Boltzmann model. In this last case and in the case of Vlasov-Fokker-Planck equations, any linear or superlinear growth of the potential is allowed. - See more at: http://www.ams.org/journals/tran/2015-367-06/S0002-9947-2015-06012-7/#sthash.ChjyK6rc.dpuf

  4. Swarm analysis by using transport equations

    International Nuclear Information System (INIS)

    Dote, Toshihiko.

    1985-01-01

    As the basis of weak ionization plasma phenomena, the motion, i.e. swarm, of charged particles in the gas is analyzed by use of the transport equations, from which basic nature of the swarm is discussed. The present report is an overview of the studies made in the past several years. Described are principally the most basic aspects concerning behaviors of the electrons and positive ions, that is, the basic equations and their significance, characteristics of the behaviors of the electron and positive ion swarms as revealed by solving the equations, and various characteristics of the swarm parameters. Contents are: Maxwell-Boltzmann's transport equations, behavior of the electron swarm, energy loss of the electrons, and behavior of the positive ion swarm. (Mori, K.)

  5. Application of Lattice Boltzmann Methods in Complex Mass Transfer Systems

    Science.gov (United States)

    Sun, Ning

    Lattice Boltzmann Method (LBM) is a novel computational fluid dynamics method that can easily handle complex and dynamic boundaries, couple local or interfacial interactions/reactions, and be easily parallelized allowing for simulation of large systems. While most of the current studies in LBM mainly focus on fluid dynamics, however, the inherent power of this method makes it an ideal candidate for the study of mass transfer systems involving complex/dynamic microstructures and local reactions. In this thesis, LBM is introduced to be an alternative computational method for the study of electrochemical energy storage systems (Li-ion batteries (LIBs) and electric double layer capacitors (EDLCs)) and transdermal drug design on mesoscopic scale. Based on traditional LBM, the following in-depth studies have been carried out: (1) For EDLCs, the simulation of diffuse charge dynamics is carried out for both the charge and the discharge processes on 2D systems of complex random electrode geometries (pure random, random spheres and random fibers). Steric effect of concentrated solutions is considered by using modified Poisson-Nernst-Plank (MPNP) equations and compared with regular Poisson-Nernst-Plank (PNP) systems. The effects of electrode microstructures (electrode density, electrode filler morphology, filler size, etc.) on the net charge distribution and charge/discharge time are studied in detail. The influence of applied potential during discharging process is also discussed. (2) For the study of dendrite formation on the anode of LIBs, it is shown that the Lattice Boltzmann model can capture all the experimentally observed features of microstructure evolution at the anode, from smooth to mossy to dendritic. The mechanism of dendrite formation process in mesoscopic scale is discussed in detail and compared with the traditional Sand's time theories. It shows that dendrite formation is closely related to the inhomogeneous reactively at the electrode-electrolyte interface

  6. Comparison of Einstein-Boltzmann solvers for testing general relativity

    Science.gov (United States)

    Bellini, E.; Barreira, A.; Frusciante, N.; Hu, B.; Peirone, S.; Raveri, M.; Zumalacárregui, M.; Avilez-Lopez, A.; Ballardini, M.; Battye, R. A.; Bolliet, B.; Calabrese, E.; Dirian, Y.; Ferreira, P. G.; Finelli, F.; Huang, Z.; Ivanov, M. M.; Lesgourgues, J.; Li, B.; Lima, N. A.; Pace, F.; Paoletti, D.; Sawicki, I.; Silvestri, A.; Skordis, C.; Umiltà, C.; Vernizzi, F.

    2018-01-01

    We compare Einstein-Boltzmann solvers that include modifications to general relativity and find that, for a wide range of models and parameters, they agree to a high level of precision. We look at three general purpose codes that primarily model general scalar-tensor theories, three codes that model Jordan-Brans-Dicke (JBD) gravity, a code that models f (R ) gravity, a code that models covariant Galileons, a code that models Hořava-Lifschitz gravity, and two codes that model nonlocal models of gravity. Comparing predictions of the angular power spectrum of the cosmic microwave background and the power spectrum of dark matter for a suite of different models, we find agreement at the subpercent level. This means that this suite of Einstein-Boltzmann solvers is now sufficiently accurate for precision constraints on cosmological and gravitational parameters.

  7. Riemann-Theta Boltzmann Machine arXiv

    CERN Document Server

    Krefl, Daniel; Haghighat, Babak; Kahlen, Jens

    A general Boltzmann machine with continuous visible and discrete integer valued hidden states is introduced. Under mild assumptions about the connection matrices, the probability density function of the visible units can be solved for analytically, yielding a novel parametric density function involving a ratio of Riemann-Theta functions. The conditional expectation of a hidden state for given visible states can also be calculated analytically, yielding a derivative of the logarithmic Riemann-Theta function. The conditional expectation can be used as activation function in a feedforward neural network, thereby increasing the modelling capacity of the network. Both the Boltzmann machine and the derived feedforward neural network can be successfully trained via standard gradient- and non-gradient-based optimization techniques.

  8. An improved immersed boundary-lattice Boltzmann method for simulating three-dimensional incompressible flows

    Science.gov (United States)

    Wu, J.; Shu, C.

    2010-07-01

    The recently proposed boundary condition-enforced immersed boundary-lattice Boltzmann method (IB-LBM) [14] is improved in this work to simulate three-dimensional incompressible viscous flows. In the conventional IB-LBM, the restoring force is pre-calculated, and the non-slip boundary condition is not enforced as compared to body-fitted solvers. As a result, there is a flow penetration to the solid boundary. This drawback was removed by the new version of IB-LBM [14], in which the restoring force is considered as unknown and is determined in such a way that the non-slip boundary condition is enforced. Since Eulerian points are also defined inside the solid boundary, the computational domain is usually regular and the Cartesian mesh is used. On the other hand, to well capture the boundary layer and in the meantime, to save the computational effort, we often use non-uniform mesh in IB-LBM applications. In our previous two-dimensional simulations [14], the Taylor series expansion and least squares-based lattice Boltzmann method (TLLBM) was used on the non-uniform Cartesian mesh to get the flow field. The final expression of TLLBM is an algebraic formulation with some weighting coefficients. These coefficients could be computed in advance and stored for the following computations. However, this way may become impractical for 3D cases as the memory requirement often exceeds the machine capacity. The other way is to calculate the coefficients at every time step. As a result, extra time is consumed significantly. To overcome this drawback, in this study, we propose a more efficient approach to solve lattice Boltzmann equation on the non-uniform Cartesian mesh. As compared to TLLBM, the proposed approach needs much less computational time and virtual storage. Its good accuracy and efficiency are well demonstrated by its application to simulate the 3D lid-driven cubic cavity flow. To valid the combination of proposed approach with the new version of IBM [14] for 3D flows

  9. Comparing Boltzmann and Gibbs definitions of entropy in small systems

    Science.gov (United States)

    Ferrari, Loris

    2017-11-01

    The long-standing contrast between Boltzmann's and Gibbs' approach to statistical thermodynamics has been recently rekindled by Dunkel and Hilbert, who criticize the notion of negative absolute temperature (NAT) as a misleading consequence of Boltzmann's definition of entropy. A different definition, due to Gibbs, has been proposed, which forbids NAT and makes the energy equipartition rigorous in arbitrarily sized systems. The two approaches, however, are shown to converge to the same results in the thermodynamical limit. A vigorous debate followed Dunkel and Hilbert's work, with arguments against and in favor of Gibbs' entropy. In an attempt to leave the speculative level and give the discussion some deal of concreteness, we analyze the practical consequences of Gibbs' definition in two finite-size systems: a non-interacting gas of N atoms with two-level internal spectrum, and an Ising model of N interacting spins. It is shown that, for certain measurable quantities, the difference resulting from Boltzmann's and Gibbs' approach vanishes as N -1/2 , much less rapidly than the 1/ N slope expected. As shown by numerical estimates, this makes the experimental solution of the controversy a feasible task.

  10. Low uncertainty Boltzmann constant determinations and the kelvin redefinition.

    Science.gov (United States)

    Fischer, J

    2016-03-28

    At its 25th meeting, the General Conference on Weights and Measures (CGPM) approved Resolution 1 'On the future revision of the International System of Units, the SI', which sets the path towards redefinition of four base units at the next CGPM in 2018. This constitutes a decisive advance towards the formal adoption of the new SI and its implementation. Kilogram, ampere, kelvin and mole will be defined in terms of fixed numerical values of the Planck constant, elementary charge, Boltzmann constant and Avogadro constant, respectively. The effect of the new definition of the kelvin referenced to the value of the Boltzmann constant k is that the kelvin is equal to the change of thermodynamic temperature T that results in a change of thermal energy kT by 1.380 65×10(-23) J. A value of the Boltzmann constant suitable for defining the kelvin is determined by fundamentally different primary thermometers such as acoustic gas thermometers, dielectric constant gas thermometers, noise thermometers and the Doppler broadening technique. Progress to date of the measurements and further perspectives are reported. Necessary conditions to be met before proceeding with changing the definition are given. The consequences of the new definition of the kelvin on temperature measurement are briefly outlined. © 2016 The Author(s).

  11. Entropic multirelaxation lattice Boltzmann models for turbulent flows.

    Science.gov (United States)

    Bösch, Fabian; Chikatamarla, Shyam S; Karlin, Ilya V

    2015-10-01

    We present three-dimensional realizations of a class of lattice Boltzmann models introduced recently by the authors [I. V. Karlin, F. Bösch, and S. S. Chikatamarla, Phys. Rev. E 90, 031302(R) (2014)] and review the role of the entropic stabilizer. Both coarse- and fine-grid simulations are addressed for the Kida vortex flow benchmark. We show that the outstanding numerical stability and performance is independent of a particular choice of the moment representation for high-Reynolds-number flows. We report accurate results for low-order moments for homogeneous isotropic decaying turbulence and second-order grid convergence for most assessed statistical quantities. It is demonstrated that all the three-dimensional lattice Boltzmann realizations considered herein converge to the familiar lattice Bhatnagar-Gross-Krook model when the resolution is increased. Moreover, thanks to the dynamic nature of the entropic stabilizer, the present model features less compressibility effects and maintains correct energy and enstrophy dissipation. The explicit and efficient nature of the present lattice Boltzmann method renders it a promising candidate for both engineering and scientific purposes for highly turbulent flows.

  12. Simulations of Core-collapse Supernovae in Spatial Axisymmetry with Full Boltzmann Neutrino Transport

    Science.gov (United States)

    Nagakura, Hiroki; Iwakami, Wakana; Furusawa, Shun; Okawa, Hirotada; Harada, Akira; Sumiyoshi, Kohsuke; Yamada, Shoichi; Matsufuru, Hideo; Imakura, Akira

    2018-02-01

    We present the first results of our spatially axisymmetric core-collapse supernova simulations with full Boltzmann neutrino transport, which amount to a time-dependent five-dimensional (two in space and three in momentum space) problem. Special relativistic effects are fully taken into account with a two-energy-grid technique. We performed two simulations for a progenitor of 11.2 M ⊙, employing different nuclear equations of state (EOSs): Lattimer and Swesty’s EOS with the incompressibility of K = 220 MeV (LS EOS) and Furusawa’s EOS based on the relativistic mean field theory with the TM1 parameter set (FS EOS). In the LS EOS, the shock wave reaches ∼700 km at 300 ms after bounce and is still expanding, whereas in the FS EOS it stalled at ∼200 km and has started to recede by the same time. This seems to be due to more vigorous turbulent motions in the former during the entire postbounce phase, which leads to higher neutrino-heating efficiency in the neutrino-driven convection. We also look into the neutrino distributions in momentum space, which is the advantage of the Boltzmann transport over other approximate methods. We find nonaxisymmetric angular distributions with respect to the local radial direction, which also generate off-diagonal components of the Eddington tensor. We find that the rθ component reaches ∼10% of the dominant rr component and, more importantly, it dictates the evolution of lateral neutrino fluxes, dominating over the θθ component, in the semitransparent region. These data will be useful to further test and possibly improve the prescriptions used in the approximate methods.

  13. Numerical solution of the Fokker--Planck equations for a multi-species plasma

    International Nuclear Information System (INIS)

    Killeen, J.; Mirin, A.A.

    1977-01-01

    Two numerical models used for studying collisional multispecies plasmas are described. The mathematical model is the Boltzmann kinetic equation with Fokker-Planck collision terms. A one-dimensional code and a two-dimensional code, used for the solution of the time-dependent Fokker-Planck equations for ion and electron distribution functions in velocity space, are described. The required equations and boundary conditions are derived and numerical techniques for their solution are given

  14. Development of a Prototype Lattice Boltzmann Code for CFD of Fusion Systems.

    Energy Technology Data Exchange (ETDEWEB)

    Pattison, Martin J; Premnath, Kannan N; Banerjee, Sanjoy; Dwivedi, Vinay

    2007-02-26

    Designs of proposed fusion reactors, such as the ITER project, typically involve the use of liquid metals as coolants in components such as heat exchangers, which are generally subjected to strong magnetic fields. These fields induce electric currents in the fluids, resulting in magnetohydrodynamic (MHD) forces which have important effects on the flow. The objective of this SBIR project was to develop computational techniques based on recently developed lattice Boltzmann techniques for the simulation of these MHD flows and implement them in a computational fluid dynamics (CFD) code for the study of fluid flow systems encountered in fusion engineering. The code developed during this project, solves the lattice Boltzmann equation, which is a kinetic equation whose behaviour represents fluid motion. This is in contrast to most CFD codes which are based on finite difference/finite volume based solvers. The lattice Boltzmann method (LBM) is a relatively new approach which has a number of advantages compared with more conventional methods such as the SIMPLE or projection method algorithms that involve direct solution of the Navier-Stokes equations. These are that the LBM is very well suited to parallel processing, with almost linear scaling even for very large numbers of processors. Unlike other methods, the LBM does not require solution of a Poisson pressure equation leading to a relatively fast execution time. A particularly attractive property of the LBM is that it can handle flows in complex geometries very easily. It can use simple rectangular grids throughout the computational domain -- generation of a body-fitted grid is not required. A recent advance in the LBM is the introduction of the multiple relaxation time (MRT) model; the implementation of this model greatly enhanced the numerical stability when used in lieu of the single relaxation time model, with only a small increase in computer time. Parallel processing was implemented using MPI and demonstrated the

  15. Non-Boltzmann Ensembles and Monte Carlo Simulations

    International Nuclear Information System (INIS)

    Murthy, K. P. N.

    2016-01-01

    Boltzmann sampling based on Metropolis algorithm has been extensively used for simulating a canonical ensemble and for calculating macroscopic properties of a closed system at desired temperatures. An estimate of a mechanical property, like energy, of an equilibrium system, is made by averaging over a large number microstates generated by Boltzmann Monte Carlo methods. This is possible because we can assign a numerical value for energy to each microstate. However, a thermal property like entropy, is not easily accessible to these methods. The reason is simple. We can not assign a numerical value for entropy, to a microstate. Entropy is not a property associated with any single microstate. It is a collective property of all the microstates. Toward calculating entropy and other thermal properties, a non-Boltzmann Monte Carlo technique called Umbrella sampling was proposed some forty years ago. Umbrella sampling has since undergone several metamorphoses and we have now, multi-canonical Monte Carlo, entropic sampling, flat histogram methods, Wang-Landau algorithm etc . This class of methods generates non-Boltzmann ensembles which are un-physical. However, physical quantities can be calculated as follows. First un-weight a microstates of the entropic ensemble; then re-weight it to the desired physical ensemble. Carry out weighted average over the entropic ensemble to estimate physical quantities. In this talk I shall tell you of the most recent non- Boltzmann Monte Carlo method and show how to calculate free energy for a few systems. We first consider estimation of free energy as a function of energy at different temperatures to characterize phase transition in an hairpin DNA in the presence of an unzipping force. Next we consider free energy as a function of order parameter and to this end we estimate density of states g ( E , M ), as a function of both energy E , and order parameter M . This is carried out in two stages. We estimate g ( E ) in the first stage

  16. General particle transport equation. Final report

    International Nuclear Information System (INIS)

    Lafi, A.Y.; Reyes, J.N. Jr.

    1994-12-01

    The general objectives of this research are as follows: (1) To develop fundamental models for fluid particle coalescence and breakage rates for incorporation into statistically based (Population Balance Approach or Monte Carlo Approach) two-phase thermal hydraulics codes. (2) To develop fundamental models for flow structure transitions based on stability theory and fluid particle interaction rates. This report details the derivation of the mass, momentum and energy conservation equations for a distribution of spherical, chemically non-reacting fluid particles of variable size and velocity. To study the effects of fluid particle interactions on interfacial transfer and flow structure requires detailed particulate flow conservation equations. The equations are derived using a particle continuity equation analogous to Boltzmann's transport equation. When coupled with the appropriate closure equations, the conservation equations can be used to model nonequilibrium, two-phase, dispersed, fluid flow behavior. Unlike the Eulerian volume and time averaged conservation equations, the statistically averaged conservation equations contain additional terms that take into account the change due to fluid particle interfacial acceleration and fluid particle dynamics. Two types of particle dynamics are considered; coalescence and breakage. Therefore, the rate of change due to particle dynamics will consider the gain and loss involved in these processes and implement phenomenological models for fluid particle breakage and coalescence

  17. The Interaction of Boltzmann with Mach, Ostwald and Planck, and his influence on Nernst and Einstein

    International Nuclear Information System (INIS)

    Broda, E.

    1981-01-01

    Boltzmann esteemed both Mach and Ostwald personally and as experimentalists, but consistently fought them in epistemology. He represented atomism and realism against energism and positivism. In the early period Boltzmann also had to struggle against Planck as a phenomenologist, but he welcomed his quantum hypothesis. As a scientist Nernst was also under Boltzmann's influence. Einstein learned atomism from (Maxwell and) Boltzmann. After Einstein had overcome Mach's positivist influence, he unknowingly approached Boltzmann's philosophical views. Some sociopolitlcal aspects of the lives of the great physicists will be discussed. It will be shown how they all, and many of Boltzmann's most eminent students, in one way or other conflicted with evil tendencies and developments in existing society. (author)

  18. Numerical modelling of transient heat transport in a two-layered metal film using the fuzzy lattice Boltzmann method with α-cuts

    Science.gov (United States)

    Piasecka-Belkhayat, Alicja; Korczak, Anna

    2018-01-01

    In the paper a description of heat transfer in a one-dimensional two-layered metal film is considered. The fuzzy coupled lattice Boltzmann equations for electrons and phonons supplemented by appropriate boundary and initial conditions are applied to analyse the thermal process in a thin metal film. The model with fuzzy values of relaxation times and boundary-initial conditions for gold and titanium is proposed. The problem considered is solved by the fuzzy lattice Boltzmann method using α-cuts and the rules of directed interval arithmetic. The application of α-cuts allows one to avoid complicated arithmetical operations in the fuzzy numbers set. In the final part of the paper an example for a numerical solution is presented.

  19. Solitary solution for the Kadomstev- Petviashvili equation at critical density

    International Nuclear Information System (INIS)

    Elhanbly, A.M.; El-shawey, E.K.; Radwan, N.K.; El-kamash, I.S.

    2011-01-01

    The nonlinear properties of small amplitude electron-acoustic solitary waves ( EASWs) in a homogeneous system of unmagnetized collisionless plasma consisted of a cold electron fluid and isothermal ions with two different temperatures obeying Boltzmann type distributions have been investigated.A reductive perturbation method was employed to obtain the Kadomstev-Petviashvili (KP) equation.At the critical density, the KP equation is not appropriate for describing the system. Hence, a new set of stretched coordinates is considered to derive the modified KP equation. The present investigation can be of relevance to the electrostatic solitary structures observed in various space plasma environments

  20. Improved thermal lattice Boltzmann model for simulation of liquid-vapor phase change

    Science.gov (United States)

    Li, Qing; Zhou, P.; Yan, H. J.

    2017-12-01

    In this paper, an improved thermal lattice Boltzmann (LB) model is proposed for simulating liquid-vapor phase change, which is aimed at improving an existing thermal LB model for liquid-vapor phase change [S. Gong and P. Cheng, Int. J. Heat Mass Transfer 55, 4923 (2012), 10.1016/j.ijheatmasstransfer.2012.04.037]. First, we emphasize that the replacement of ∇ .(λ ∇ T ) /∇.(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) is an inappropriate treatment for diffuse interface modeling of liquid-vapor phase change. Furthermore, the error terms ∂t 0(T v ) +∇ .(T vv ) , which exist in the macroscopic temperature equation recovered from the previous model, are eliminated in the present model through a way that is consistent with the philosophy of the LB method. Moreover, the discrete effect of the source term is also eliminated in the present model. Numerical simulations are performed for droplet evaporation and bubble nucleation to validate the capability of the model for simulating liquid-vapor phase change. It is shown that the numerical results of the improved model agree well with those of a finite-difference scheme. Meanwhile, it is found that the replacement of ∇ .(λ ∇ T ) /∇ .(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) leads to significant numerical errors and the error terms in the recovered macroscopic temperature equation also result in considerable errors.

  1. Lattice Boltzmann simulation of thermofluidic transport phenomena in a DC magnetohydrodynamic (MHD) micropump.

    Science.gov (United States)

    Chatterjee, Dipankar; Amiroudine, Sakir

    2011-02-01

    A comprehensive non-isothermal Lattice Boltzmann (LB) algorithm is proposed in this article to simulate the thermofluidic transport phenomena encountered in a direct-current (DC) magnetohydrodynamic (MHD) micropump. Inside the pump, an electrically conducting fluid is transported through the microchannel by the action of an electromagnetic Lorentz force evolved out as a consequence of the interaction between applied electric and magnetic fields. The fluid flow and thermal characteristics of the MHD micropump depend on several factors such as the channel geometry, electromagnetic field strength and electrical property of the conducting fluid. An involved analysis is carried out following the LB technique to understand the significant influences of the aforementioned controlling parameters on the overall transport phenomena. In the LB framework, the hydrodynamics is simulated by a distribution function, which obeys a single scalar kinetic equation associated with an externally imposed electromagnetic force field. The thermal history is monitored by a separate temperature distribution function through another scalar kinetic equation incorporating the Joule heating effect. Agreement with analytical, experimental and other available numerical results is found to be quantitative.

  2. Multiple-relaxation-time lattice Boltzmann simulation for flow, mass transfer, and adsorption in porous media

    Science.gov (United States)

    Ma, Qiang; Chen, Zhenqian; Liu, Hao

    2017-07-01

    In this paper, to predict the dynamics behaviors of flow and mass transfer with adsorption phenomena in porous media at the representative elementary volume (REV) scale, a multiple-relaxation-time (MRT) lattice Boltzmann (LB) model for the convection-diffusion equation is developed to solve the transfer problem with an unsteady source term in porous media. Utilizing the Chapman-Enskog analysis, the modified MRT-LB model can recover the macroscopic governing equations at the REV scale. The coupled MRT-LB model for momentum and mass transfer is validated by comparing with the finite-difference method and the analytical solution. Moreover, using the MRT-LB method coupled with the linear driving force model, the fluid transfer and adsorption behaviors of the carbon dioxide in a porous fixed bed are explored. The breakthrough curve of adsorption from MRT-LB simulation is compared with the experimental data and the finite-element solution, and the transient concentration distributions of the carbon dioxide along the porous fixed bed are elaborated upon in detail. In addition, the MRT-LB simulation results show that the appearance time of the breakthrough point in the breakthrough curve is advanced as the mass transfer resistance in the linear driving force model increases; however, the saturation point is prolonged inversely.

  3. Electrokinetics of diffuse soft interfaces. 2. Analysis based on the nonlinear Poisson-Boltzmann equation

    NARCIS (Netherlands)

    Duval, J.F.L.

    2005-01-01

    In a previous study (Langmuir 2004, 20, 10324), the electrokinetic properties of diffuse soft layers were theoretically investigated within the framework of the Debye-H¿ckel approximation valid in the limit of sufficiently low values for the Donnan potential. In the current paper, the

  4. Normal Solutions of the Boltzmann Equation for Fourier and Couette Flow

    Science.gov (United States)

    Torczynski, J. R.

    2005-11-01

    Bird's Direct Simulation Monte Carlo (DSMC) method is used to simulate Fourier flow (uniform heat flux) and Couette flow (uniform shear stress) for highly nonequilibrium conditions. The gas is confined between two parallel, fully-accommodating walls at unequal temperatures with opposite tangential velocities. For small system Knudsen numbers, the solution is normal in the central region of the domain (outside the Knudsen layers). For small heat-flux Knudsen numbers, the normal solution exhibits Chapman-Enskog (CE) behavior. More specifically, excellent agreement is observed between the DSMC and CE thermal conductivity, viscosity, and Sonine-polynomial coefficients of the molecular velocity distribution function. At larger heat-flux Knudsen numbers, the normal solution systematically departs from the CE solution. Under these conditions, the DSMC results for Maxwell molecules are in excellent agreement with the exact solution of Santos and co-workers, and the DSMC results for hard-sphere molecules exhibit similar trends. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  5. Transport and fluctuations in granular fluids from Boltzmann equation to hydrodynamics, diffusion and motor effects

    CERN Document Server

    Puglisi, Andrea

    2015-01-01

    This brief offers a concise presentation of granular fluids from the  point of view of non-equilibrium statistical physics. The emphasis is on fluctuations, which can be large in granular fluids due to the small system size (the number of grains is many orders of magnitude smaller than in molecular fluids). Firstly, readers will be introduced to the most intriguing experiments on fluidized granular fluids. Then granular fluid theory, which goes through increasing levels of coarse-graining and emerging collective phenomena, is described. Problems and questions are initially posed at the level of kinetic theory, which describes particle densities in full or reduced phase-space. Some answers become clear through hydrodynamics, which describes the evolution of slowly evolving fields. Granular fluctuating hydrodynamics, which builds a bridge to the most recent results in non-equilibrium statistical mechanics, is also introduced. Further and more interesting answers come when the dynamics of a massive intruder are...

  6. A Photoplethysmography Melanin Evaluation System by Modified Boltzmann Transport Equation (BTE

    Directory of Open Access Journals (Sweden)

    Sheng-Chieh Huang

    2015-01-01

    Full Text Available With the advance in cosmetic medical technology in recent years, more and more people get cosmetic medical treatments, especially skin whitening treatments. Nevertheless, people usually assess the effect of skin whitening products by vision, which is subjective and will be different from each person. To acquire the value of melanin concentration objectively, people need to go to cosmetic medical clinics. This will cause inconvenience to people. This paper develops a novel evaluation platform based on optical assessment methods, which employ different absorption and scattering properties to different wavelengths of light in human tissue to obtain melanin concentration. Moreover, this paper proposes a new method that compensates the interaction between epidermis and dermis to acquire the melanin concentration more accurately. The novel platform designed in this paper is smaller and consumes lower-power and smaller when comparing to other conventional devices in market.

  7. Adiabatic out-of-equilibrium solutions to the Boltzmann equation in warm inflation

    Science.gov (United States)

    Bastero-Gil, Mar; Berera, Arjun; Ramos, Rudnei O.; Rosa, João G.

    2018-02-01

    We show that, in warm inflation, the nearly constant Hubble rate and temperature lead to an adiabatic evolution of the number density of particles interacting with the thermal bath, even if thermal equilibrium cannot be maintained. In this case, the number density is suppressed compared to the equilibrium value but the associated phase-space distribution retains approximately an equilibrium form, with a smaller amplitude and a slightly smaller effective temperature. As an application, we explicitly construct a baryogenesis mechanism during warm inflation based on the out-of-equilibrium decay of particles in such an adiabatically evolving state. We show that this generically leads to small baryon isocurvature perturbations, within the bounds set by the Planck satellite. These are correlated with the main adiabatic curvature perturbations but exhibit a distinct spectral index, which may constitute a smoking gun for baryogenesis during warm inflation. Finally, we discuss the prospects for other applications of adiabatically evolving out-of-equilibrium states.

  8. Swarm analysis by using transport equations, 1

    International Nuclear Information System (INIS)

    Dote, Toshihiko; Shimada, Masatoshi

    1980-01-01

    By evolving Maxwell-Boltzmann transport equations, various quantities on swarm of charged particles have been analyzed. Although this treatment is properly general, and common transport equations for charged particles ought to be given, in particular, equations only for electrons were presented here. The relation between the random energy and the drift energy was first derived and the general expression of the electron velocity was deduced too. For a simple example, one dimensional steady-state electron swarm in a uniform medium was treated. Electron swarm characteristics numerically calculated in He, Ne or Ar exhibited some interesting properties, which were physically clearly elucidated. These results were also compared with several data already published. Agreements between them were qualitatively rather well in detailed structures. (author)

  9. Lattice Boltzmann modeling and simulation of liquid jet breakup

    Science.gov (United States)

    Saito, Shimpei; Abe, Yutaka; Koyama, Kazuya

    2017-07-01

    A three-dimensional color-fluid lattice Boltzmann model for immiscible two-phase flows is developed in the framework of a three-dimensional 27-velocity (D3Q27) lattice. The collision operator comprises the D3Q27 versions of three suboperators: a multiple-relaxation-time (MRT) collision operator, a generalized Liu-Valocchi-Kang perturbation operator, and a Latva-Kokko-Rothman recoloring operator. A D3Q27 version of an enhanced equilibrium distribution function is also incorporated into this model to improve the Galilean invariance. Three types of numerical tests, namely, a static droplet, an oscillating droplet, and the Rayleigh-Taylor instability, show a good agreement with analytical solutions and numerical simulations. Following these numerical tests, this model is applied to liquid-jet-breakup simulations. The simulation conditions are matched to the conditions of the previous experiments. In this case, numerical stability is maintained throughout the simulation, although the kinematic viscosity for the continuous phase is set as low as 1.8 ×10-4 , in which case the corresponding Reynolds number is 3.4 ×103 ; the developed lattice Boltzmann model based on the D3Q27 lattice enables us to perform the simulation with parameters directly matched to the experiments. The jet's liquid column transitions from an asymmetrical to an axisymmetrical shape, and entrainment occurs from the side of the jet. The measured time history of the jet's leading-edge position shows a good agreement with the experiments. Finally, the reproducibility of the regime map for liquid-liquid systems is assessed. The present lattice Boltzmann simulations well reproduce the characteristics of predicted regimes, including varicose breakup, sinuous breakup, and atomization.

  10. Phase transitions in restricted Boltzmann machines with generic priors

    Science.gov (United States)

    Barra, Adriano; Genovese, Giuseppe; Sollich, Peter; Tantari, Daniele

    2017-10-01

    We study generalized restricted Boltzmann machines with generic priors for units and weights, interpolating between Boolean and Gaussian variables. We present a complete analysis of the replica symmetric phase diagram of these systems, which can be regarded as generalized Hopfield models. We underline the role of the retrieval phase for both inference and learning processes and we show that retrieval is robust for a large class of weight and unit priors, beyond the standard Hopfield scenario. Furthermore, we show how the paramagnetic phase boundary is directly related to the optimal size of the training set necessary for good generalization in a teacher-student scenario of unsupervised learning.

  11. Operational derivation of Boltzmann distribution with Maxwell's demon model.

    Science.gov (United States)

    Hosoya, Akio; Maruyama, Koji; Shikano, Yutaka

    2015-11-24

    The resolution of the Maxwell's demon paradox linked thermodynamics with information theory through information erasure principle. By considering a demon endowed with a Turing-machine consisting of a memory tape and a processor, we attempt to explore the link towards the foundations of statistical mechanics and to derive results therein in an operational manner. Here, we present a derivation of the Boltzmann distribution in equilibrium as an example, without hypothesizing the principle of maximum entropy. Further, since the model can be applied to non-equilibrium processes, in principle, we demonstrate the dissipation-fluctuation relation to show the possibility in this direction.

  12. Jet propagation within a Linearized Boltzmann Transport model

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Tan; He, Yayun [Key Laboratory of Quark and Lepton Physics (MOE) and Institute of Particle Physics, Central China Normal University, Wuhan 430079 (China); Wang, Xin-Nian [Key Laboratory of Quark and Lepton Physics (MOE) and Institute of Particle Physics, Central China Normal University, Wuhan 430079 (China); Nuclear Science Division, Mailstop 70R0319, Lawrence Berkeley National Laboratory, Berkeley, CA 94740 (United States); Zhu, Yan [Departamento de Física de Partículas and IGFAE, Universidade de Santiago de Compostela, E-15706 Santiago de Compostela, Galicia (Spain)

    2014-12-15

    A Linearized Boltzmann Transport (LBT) model has been developed for the study of parton propagation inside quark–gluon plasma. Both leading and thermal recoiled partons are tracked in order to include the effect of jet-induced medium excitation. In this talk, we present a study within the LBT model in which we implement the complete set of elastic parton scattering processes. We investigate elastic parton energy loss and their energy and length dependence. We further investigate energy loss and transverse shape of reconstructed jets. Contributions from the recoiled thermal partons and jet-induced medium excitations are found to have significant influences on the jet energy loss and transverse profile.

  13. Penetration equations

    Energy Technology Data Exchange (ETDEWEB)

    Young, C.W. [Applied Research Associates, Inc., Albuquerque, NM (United States)

    1997-10-01

    In 1967, Sandia National Laboratories published empirical equations to predict penetration into natural earth materials and concrete. Since that time there have been several small changes to the basic equations, and several more additions to the overall technique for predicting penetration into soil, rock, concrete, ice, and frozen soil. The most recent update to the equations was published in 1988, and since that time there have been changes in the equations to better match the expanding data base, especially in concrete penetration. This is a standalone report documenting the latest version of the Young/Sandia penetration equations and related analytical techniques to predict penetration into natural earth materials and concrete. 11 refs., 6 tabs.

  14. Hybrid lattice Boltzmann finite difference simulation of mixed convection flows in a lid-driven square cavity

    Energy Technology Data Exchange (ETDEWEB)

    Bettaibi, Soufiene, E-mail: Bettaibisoufiene@gmail.com [UR: Rayonnement Thermique, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Tunis (Tunisia); Kuznik, Frédéric [INSA-Lyon, CETHIL, F-69621 Villeurbanne (France); Université de Lyon, CNRS, UMR5008, F-69622 Villeurbanne (France); Sediki, Ezeddine [UR: Rayonnement Thermique, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Tunis (Tunisia)

    2014-06-27

    Highlights: • Mixed convection heat transfer in 2D lid-driven cavity is studied numerically. • Hybrid scheme with multiple relaxation time lattice Boltzmann method is used to obtain the velocity field. • Finite difference method is used to compute the temperature. • Effect of both Richardson and Reynolds numbers for mixed convection is studied. - Abstract: Mixed convection heat transfer in two-dimensional lid-driven rectangular cavity filled with air (Pr=0.71) is studied numerically. A hybrid scheme with multiple relaxation time lattice Boltzmann method (MRT-LBM) is used to obtain the velocity field while the temperature field is deduced from energy balance equation by using the finite difference method (FDM). The main objective of this work is to investigate the model effectiveness for mixed convection flow simulation. Results are presented in terms of streamlines, isotherms and Nusselt numbers. Excellent agreement is obtained between our results and previous works. The different comparisons demonstrate the robustness and the accuracy of our proposed approach.

  15. Adjoint Parameter Sensitivity Analysis for the Hydrodynamic Lattice Boltzmann Method with Applications to Design Optimization

    DEFF Research Database (Denmark)

    Pingen, Georg; Evgrafov, Anton; Maute, Kurt

    2009-01-01

    We present an adjoint parameter sensitivity analysis formulation and solution strategy for the lattice Boltzmann method (LBM). The focus is on design optimization applications, in particular topology optimization. The lattice Boltzmann method is briefly described with an in-depth discussion of so...

  16. Well-Posedness of the Iterative Boltzmann Inversion

    Science.gov (United States)

    Hanke, Martin

    2018-02-01

    The iterative Boltzmann inversion is a fixed point iteration to determine an effective pair potential for an ensemble of identical particles in thermal equilibrium from the corresponding radial distribution function. Although the method is reported to work reasonably well in practice, it still lacks a rigorous convergence analysis. In this paper we provide some first steps towards such an analysis, and we show under quite general assumptions that the associated fixed point operator is Lipschitz continuous (in fact, differentiable) in a suitable neighborhood of the true pair potential, assuming that such a potential exists. In other words, the iterative Boltzmann inversion is well-defined in the sense that if the kth iterate of the scheme is sufficiently close to the true pair potential then the k+1st iterate is an admissible pair potential, which again belongs to the domain of the fixed point operator. On our way we establish important properties of the cavity distribution function and provide a proof of a statement formulated by Groeneveld concerning the rate of decay at infinity of the Ursell function associated with a Lennard-Jones type potential.

  17. An interpolation boundary treatment for the Lattice Boltzmann method

    Science.gov (United States)

    Deladisma, Marnico D.; Smith, Marc K.

    2003-11-01

    A new boundary condition for the Lattice Boltzmann method based on bounce-back and spatial interpolations is presented. The boundary condition allows for the placement of a boundary at any position between nodes and tracks the exact position of that boundary. Multi-dimensional interpolation of streaming and bounce-back particle distribution functions from surrounding boundary nodes is used to solve for new distribution values. This allows more information from surrounding nodes to be incorporated into the boundary treatment calculation. Calculations of flow within a 2D rotating annulus (with and without an obstacle placed in the flow) using the present boundary condition are compared with calculations done with the commercial CFD solver Fluent. Results show that the boundary condition is accurate and robust for these cases. The boundary condition also allows for moving boundaries and is easily extended to 3D, which facilitates the simulation of moving 3D particles. The new boundary condition will allow a Lattice Boltzmann simulation of a rotating wall vessel bioreactor with freely suspended tissue constructs whose length scale is about 1 cm.

  18. A Study of the Boltzmann Sequence-Structure Channel.

    Science.gov (United States)

    Magner, Abram; Kihara, Daisuke; Szpankowski, Wojciech

    2017-02-01

    We rigorously study a channel that maps sequences from a finite alphabet to self-avoiding walks in the two-dimensional grid, inspired by a model of protein folding from statistical physics and studied empirically by biophysicists. This channel, which we call the Boltzmann sequence-structure channel, is characterized by a Boltzmann/Gibbs distribution with a free parameter corresponding to temperature. In our previous work, we verified empirically that the channel capacity appears to have a phase transition for small temperature and decays to zero for high temperature. In this paper, we make some progress toward theoretically explaining these phenomena. We first estimate the conditional entropy between the input sequence and the output fold, giving an upper bound which exhibits a phase transition with respect to temperature. Next, we formulate a class of parameter settings under which the dependence between walk energies is governed by their number of shared contacts. In this setting, we derive a lower bound on the conditional entropy. This lower bound allows us to conclude that the mutual information tends to zero in a nontrivial regime of high temperature, giving some support to the empirical fact regarding capacity. Finally, we construct an example setting of the parameters of the model for which the conditional entropy is exactly calculable and which does not exhibit a phase transition.

  19. Detection of Hypertension Retinopathy Using Deep Learning and Boltzmann Machines

    Science.gov (United States)

    Triwijoyo, B. K.; Pradipto, Y. D.

    2017-01-01

    hypertensive retinopathy (HR) in the retina of the eye is disturbance caused by high blood pressure disease, where there is a systemic change of arterial in the blood vessels of the retina. Most heart attacks occur in patients caused by high blood pressure symptoms of undiagnosed. Hypertensive retinopathy Symptoms such as arteriolar narrowing, retinal haemorrhage and cotton wool spots. Based on this reasons, the early diagnosis of the symptoms of hypertensive retinopathy is very urgent to aim the prevention and treatment more accurate. This research aims to develop a system for early detection of hypertension retinopathy stage. The proposed method is to determine the combined features artery and vein diameter ratio (AVR) as well as changes position with Optic Disk (OD) in retinal images to review the classification of hypertensive retinopathy using Deep Neural Networks (DNN) and Boltzmann Machines approach. We choose this approach of because based on previous research DNN models were more accurate in the image pattern recognition, whereas Boltzmann machines selected because It requires speedy iteration in the process of learning neural network. The expected results from this research are designed a prototype system early detection of hypertensive retinopathy stage and analysed the effectiveness and accuracy of the proposed methods.

  20. Differential equations

    CERN Document Server

    Tricomi, FG

    2013-01-01

    Based on his extensive experience as an educator, F. G. Tricomi wrote this practical and concise teaching text to offer a clear idea of the problems and methods of the theory of differential equations. The treatment is geared toward advanced undergraduates and graduate students and addresses only questions that can be resolved with rigor and simplicity.Starting with a consideration of the existence and uniqueness theorem, the text advances to the behavior of the characteristics of a first-order equation, boundary problems for second-order linear equations, asymptotic methods, and diff

  1. A modified Lattice Boltzmann model for pore-scale simulation of desorption process at surface water-groundwater interface

    Science.gov (United States)

    Zhang, Pei; Galindo Torres, Sergio; Tang, Hongwu; Scheuermann, Alexander; Jin, Guangqiu; Li, Ling

    2017-04-01

    A pore-scale numerical model is introduced to simulate the desorption process at surface water-groundwater interface. The Navier-Stokes equations for fluid and Advection-Diffusion equation for scalar transport are solved by Lattice Boltzmann Method (LBM). In previous studies, the macroscopic desorption kinetic equations are usually applied as a boundary condition. However, it may be problematic for pore-scale simulation since most desorption kinetic equations are fitted from macroscopic global variables. We avoid this problem by discretizing the particle surface into a large number of adsorption sites to mimic the microscopic desorption process. The state of each adsorption site follows the Langmuir's theory. Furthermore, benefiting from the mesoscopic inherent of the LBM, the total number of adsorbate which really contacted with the particle surface can be calculated rather than the local concentration. The predicted desorption Isotherm and concentration profile match well with theoretical solutions and experimental data. By using presented model, we find that the desorption process at surface water-groundwater interface shows a complex response to surface water flow.

  2. Effective Wettability of Heterogenous Fracture Surfaces Using the Lattice-Boltzmann Method

    Science.gov (United States)

    E Santos, J.; Prodanovic, M.; Landry, C. J.

    2017-12-01

    Fracture walls in the subsurface are often structured by minerals of different composition (potentially further altered in contact with fluids during hydrocarbon extraction or CO2 sequestration), this yields in a heterogeneous wettability of the surface in contact with the fluids. The focus of our work is to study how surfaces presenting different mineralogy and roughness affect multiphase flow in fractures. Using the Shan-Chen model of the lattice-Boltzmann method (LBM) we define fluid interaction and surface attraction parameters to simulate a system of a wetting and a non-wetting fluid. In this work, we use synthetically created fractures presenting different arrangements of wetting and non-wetting patches, and with or without roughness; representative of different mineralogy, similar workflow can be applied to fractures extracted from X-ray microtomography images of fractures porous media. The results from the LBM simulations provide an insight on how the distribution of mineralogy and surface roughness are related with the observed macroscopic contact angle. We present a comparison between the published analytical models, and our results based on surface areas, spatial distribution and local fracture aperture. The understanding of the variables that affect the contact angle is useful for the comprehension of multiphase processes in naturally fractured reservoirs like primary oil production, enhanced oil recovery and CO2 sequestration. The macroscopic contact angle analytical equations for heterogeneous surfaces with variable roughness are no longer valid in highly heterogeneous systems; we quantify the difference thus offering an alternative to analytical models.

  3. Binding of phosphorus-containing inhibitors to thermolysin studied by the Poisson-Boltzmann method.

    Science.gov (United States)

    Shen, J; Wendoloski, J

    1995-03-01

    Zinc endopeptidase thermolysin can be inhibited by a series of phosphorus-containing peptide analogues, Cbz-Gly-psi (PO2)-X-Leu-Y-R (ZGp(X)L(y)R), where X = NH, O, or CH2; Y = NH or O; R = Leu, Ala, Gly, Phe, H, or CH3. The affinity correlation as well as an X-ray crystallography study suggest that these inhibitors bind to thermolysin in an identical mode. In this work, we calculate the electrostatic binding free energies for a series of 13 phosphorus-containing inhibitors with modifications at X, Y, and R moieties using finite difference solution to the Poisson-Boltzmann equation. A method has been developed to include the solvation entropy changes due to binding different ligands to a macromolecule. We demonstrate that the electrostatic energy and empirically derived solvation entropy can account for most of the binding energy differences in this series. By analyzing the binding contribution from individual residues, we show that the energy of a hydrogen bond is not confined to the donor and acceptor. In particular, the positive charges on Zn and Arg 203, which are not the acceptors, contribute significantly to the hydrogen bonds between two amides of ZGpLL and the thermolysin.

  4. An immersed boundary-lattice Boltzmann model for biofilm growth in porous media

    Science.gov (United States)

    Benioug, M.; Golfier, F.; Oltéan, C.; Buès, M. A.; Bahar, T.; Cuny, J.

    2017-09-01

    In this paper, we present a two-dimensional pore-scale numerical model to investigate the main mechanisms governing biofilm growth in porous media. The fluid flow and solute transport equations are coupled with a biofilm evolution model. Fluid flow is simulated with an immersed boundary-lattice Boltzmann model while solute transport is described with a volume-of-fluid-type approach. A cellular automaton algorithm combined with immersed boundary methods was developed to describe the spreading and distribution of biomass. Bacterial attachment and detachment mechanisms are also taken into account. The capability of this model to describe correctly the couplings involved between fluid circulation, nutrient transport and bacterial growth is tested under different hydrostatic and hydrodynamic conditions (i) on a flat medium and (ii) for a complex porous medium. For the second case, different regimes of biofilm growth are identified and are found to be related to the dimensionless parameters of the model, Damköhler and Péclet numbers and dimensionless shear stress. Finally, the impact of biofilm growth on the macroscopic properties of the porous medium is investigated and we discuss the unicity of the relationships between hydraulic conductivity and biofilm volume fraction.

  5. Simulation of Thermal Flow Problems via a Hybrid Immersed Boundary-Lattice Boltzmann Method

    Directory of Open Access Journals (Sweden)

    J. Wu

    2012-01-01

    Full Text Available A hybrid immersed boundary-lattice Boltzmann method (IB-LBM is presented in this work to simulate the thermal flow problems. In current approach, the flow field is resolved by using our recently developed boundary condition-enforced IB-LBM (Wu and Shu, (2009. The nonslip boundary condition on the solid boundary is enforced in simulation. At the same time, to capture the temperature development, the conventional energy equation is resolved. To model the effect of immersed boundary on temperature field, the heat source term is introduced. Different from previous studies, the heat source term is set as unknown rather than predetermined. Inspired by the idea in (Wu and Shu, (2009, the unknown is calculated in such a way that the temperature at the boundary interpolated from the corrected temperature field accurately satisfies the thermal boundary condition. In addition, based on the resolved temperature correction, an efficient way to compute the local and average Nusselt numbers is also proposed in this work. As compared with traditional implementation, no approximation for temperature gradients is required. To validate the present method, the numerical simulations of forced convection are carried out. The obtained results show good agreement with data in the literature.

  6. A lattice Boltzmann model for substrates with regularly structured surface roughness

    Science.gov (United States)

    Yagub, A.; Farhat, H.; Kondaraju, S.; Singh, T.

    2015-11-01

    Superhydrophobic surface characteristics are important in many industrial applications, ranging from the textile to the military. It was observed that surfaces fabricated with nano/micro roughness can manipulate the droplet contact angle, thus providing an opportunity to control the droplet wetting characteristics. The Shan and Chen (SC) lattice Boltzmann model (LBM) is a good numerical tool, which holds strong potentials to qualify for simulating droplets wettability. This is due to its realistic nature of droplet contact angle (CA) prediction on flat smooth surfaces. But SC-LBM was not able to replicate the CA on rough surfaces because it lacks a real representation of the physics at work under these conditions. By using a correction factor to influence the interfacial tension within the asperities, the physical forces acting on the droplet at its contact lines were mimicked. This approach allowed the model to replicate some experimentally confirmed Wenzel and Cassie wetting cases. Regular roughness structures with different spacing were used to validate the study using the classical Wenzel and Cassie equations. The present work highlights the strength and weakness of the SC model and attempts to qualitatively conform it to the fundamental physics, which causes a change in the droplet apparent contact angle, when placed on nano/micro structured surfaces.

  7. Effective Simulation Strategy of Multiscale Flows using a Lattice Boltzmann model with a Stretched Lattice

    Science.gov (United States)

    Yahia, Eman; Premnath, Kannan

    2017-11-01

    Resolving multiscale flow physics (e.g. for boundary layer or mixing layer flows) effectively generally requires the use of different grid resolutions in different coordinate directions. Here, we present a new formulation of a multiple relaxation time (MRT)-lattice Boltzmann (LB) model for anisotropic meshes. It is based on a simpler and more stable non-orthogonal moment basis while the use of MRT introduces additional flexibility, and the model maintains a stream-collide procedure; its second order moment equilibria are augmented with additional velocity gradient terms dependent on grid aspect ratio that fully restores the required isotropy of the transport coefficients of the normal and shear stresses. Furthermore, by introducing additional cubic velocity corrections, it maintains Galilean invariance. The consistency of this stretched lattice based LB scheme with the Navier-Stokes equations is shown via a Chapman-Enskog expansion. Numerical study for a variety of benchmark flow problems demonstrate its ability for accurate and effective simulations at relatively high Reynolds numbers. The MRT-LB scheme is also shown to be more stable compared to prior LB models for rectangular grids, even for grid aspect ratios as small as 0.1 and for Reynolds numbers of 10000.

  8. Three-dimensional Cascaded Lattice Boltzmann Model for Thermal Convective Flows

    Science.gov (United States)

    Hajabdollahi, Farzaneh; Premnath, Kannan

    2017-11-01

    Fluid motion driven by thermal effects, such as due to buoyancy in differentially heated enclosures arise in several natural and industrial settings, whose understanding can be achieved via numerical simulations. Lattice Boltzmann (LB) methods are efficient kinetic computational approaches for coupled flow physics problems. In this study, we develop three-dimensional (3D) LB models based on central moments and multiple relaxation times for D3Q7 and D3Q15 lattices to solve the energy transport equations in a double distribution function approach. Their collision operators lead to a cascaded structure involving higher order terms resulting in improved stability. This is coupled to a central moment based LB flow solver with source terms. The new 3D cascaded LB models for the convective flows are first validated for natural convection of air driven thermally on two vertically opposite faces in a cubic cavity at different Rayleigh numbers against prior numerical and experimental data, which show good quantitative agreement. Then, the detailed structure of the 3D flow and thermal fields and the heat transfer rates at different Rayleigh numbers are analyzed and interpreted.

  9. Entropic lattice Boltzmann method for multiphase flows: Fluid-solid interfaces.

    Science.gov (United States)

    Mazloomi M, Ali; Chikatamarla, Shyam S; Karlin, Iliya V

    2015-08-01

    The recently introduced entropic lattice Boltzmann model (ELBM) for multiphase flows [A. Mazloomi M., S. S. Chikatamarla, and I. V. Karlin, Phys. Rev. Lett. 114, 174502 (2015)] is extended to the simulation of dynamic fluid-solid interface problems. The thermodynamically consistent, nonlinearly stable ELBM together with a polynomial representation of the equation of state enables us to investigate the dynamics of the contact line in a wide range of applications, from capillary filling to liquid drop impact onto a flat surfaces with different wettability. The static interface behavior is tested by means of the liquid column in a channel to verify the Young-Laplace law. The numerical results of a capillary filling problem in a channel with wettability gradient show an excellent match with the existing analytical solution. Simulations of drop impact onto both wettable and nonwettable surfaces show that the ELBM reproduces the experimentally observed drop behavior in a quantitative manner. Results reported herein demonstrate that the present model is a promising alternative for studying the vapor-liquid-solid interface dynamics.

  10. Electronic and thermoelectric properties of InN studied using ab initio density functional theory and Boltzmann transport calculations

    Energy Technology Data Exchange (ETDEWEB)

    Borges, P. D., E-mail: pdborges@gmail.com, E-mail: lscolfaro@txstate.edu; Scolfaro, L., E-mail: pdborges@gmail.com, E-mail: lscolfaro@txstate.edu [Department of Physics, Texas State University, San Marcos, Texas 78666 (United States)

    2014-12-14

    The thermoelectric properties of indium nitride in the most stable wurtzite phase (w-InN) as a function of electron and hole concentrations and temperature were studied by solving the semiclassical Boltzmann transport equations in conjunction with ab initio electronic structure calculations, within Density Functional Theory. Based on maximally localized Wannier function basis set and the ab initio band energies, results for the Seebeck coefficient are presented and compared with available experimental data for n-type as well as p-type systems. Also, theoretical results for electric conductivity and power factor are presented. Most cases showed good agreement between the calculated properties and experimental data for w-InN unintentionally and p-type doped with magnesium. Our predictions for temperature and concentration dependences of electrical conductivity and power factor revealed a promising use of InN for intermediate and high temperature thermoelectric applications. The rigid band approach and constant scattering time approximation were utilized in the calculations.

  11. The DANTE Boltzmann transport solver: An unstructured mesh, 3-D, spherical harmonics algorithm compatible with parallel computer architectures

    International Nuclear Information System (INIS)

    McGhee, J.M.; Roberts, R.M.; Morel, J.E.

    1997-01-01

    A spherical harmonics research code (DANTE) has been developed which is compatible with parallel computer architectures. DANTE provides 3-D, multi-material, deterministic, transport capabilities using an arbitrary finite element mesh. The linearized Boltzmann transport equation is solved in a second order self-adjoint form utilizing a Galerkin finite element spatial differencing scheme. The core solver utilizes a preconditioned conjugate gradient algorithm. Other distinguishing features of the code include options for discrete-ordinates and simplified spherical harmonics angular differencing, an exact Marshak boundary treatment for arbitrarily oriented boundary faces, in-line matrix construction techniques to minimize memory consumption, and an effective diffusion based preconditioner for scattering dominated problems. Algorithm efficiency is demonstrated for a massively parallel SIMD architecture (CM-5), and compatibility with MPP multiprocessor platforms or workstation clusters is anticipated

  12. Study of nanofluid forced convection heat transfer in a bent channel by means of lattice Boltzmann method

    Science.gov (United States)

    Ma, Yuan; Mohebbi, Rasul; Rashidi, M. M.; Yang, Zhigang

    2018-03-01

    In this paper, the laminar forced convection heat transfer of nanofluid through a bent channel was numerically investigated. The lattice Boltzmann method was used for solving the governing equations in the domain. The effect of different parameters such as Reynolds number (50 ≤ Re ≤ 150), vertical passage ratio (2.0 ≤ M ≤ 4.0), and nanoparticle solid volume fractions (Φ = 0, 0.01, 0.03, 0.05) are analyzed in terms of streamlines, isotherms, and local Nusselt numbers. It was concluded from this study that the local and average Nusselt number increased with increasing nanoparticle volume fraction regardless of Re and M. Moreover, the effect of the nanofluid concentration on the increment of heat transfer was more remarkable at higher values of the Reynolds number. Simulations show that by increasing the Reynolds number or decreasing the vertical passage ratio, the local and average Nusselt number increases.

  13. Dynamical Systems in the Variational Formulation of the Fokker-Planck Equation by the Wasserstein Metric

    International Nuclear Information System (INIS)

    Mikami, T.

    2000-01-01

    R. Jordan, D. Kinderlehrer, and F. Otto proposed the discrete-time approximation of the Fokker-Planck equation by the variational formulation. It is determined by the Wasserstein metric, an energy functional, and the Gibbs-Boltzmann entropy functional. In this paper we study the asymptotic behavior of the dynamical systems which describe their approximation of the Fokker-Planck equation and characterize the limit as a solution to a class of variational problems

  14. Hydrodynamic equations for electrons in graphene obtained from the maximum entropy principle

    Energy Technology Data Exchange (ETDEWEB)

    Barletti, Luigi, E-mail: luigi.barletti@unifi.it [Dipartimento di Matematica e Informatica “Ulisse Dini”, Università degli Studi di Firenze, Viale Morgagni 67/A, 50134 Firenze (Italy)

    2014-08-15

    The maximum entropy principle is applied to the formal derivation of isothermal, Euler-like equations for semiclassical fermions (electrons and holes) in graphene. After proving general mathematical properties of the equations so obtained, their asymptotic form corresponding to significant physical regimes is investigated. In particular, the diffusive regime, the Maxwell-Boltzmann regime (high temperature), the collimation regime and the degenerate gas limit (vanishing temperature) are considered.

  15. Discrete Ordinates Approximations to the First- and Second-Order Radiation Transport Equations

    CERN Document Server

    Fan, W C; Powell, J L

    2002-01-01

    The conventional discrete ordinates approximation to the Boltzmann transport equation can be described in a matrix form. Specifically, the within-group scattering integral can be represented by three components: a moment-to-discrete matrix, a scattering cross-section matrix and a discrete-to-moment matrix. Using and extending these entities, we derive and summarize the matrix representations of the second-order transport equations.

  16. Viscous dissipation effects on MHD slip flow and heat transfer in porous micro duct with LTNE assumptions using modified lattice Boltzmann method

    Science.gov (United States)

    Rabhi, R.; Amami, B.; Dhahri, H.; Mhimid, A.

    2017-11-01

    This paper deals with heat transfer and fluid flow in a porous micro duct under local thermal non equilibrium conditions subjected to an external oriented magnetic field. The considered sample is a micro duct filled with porous media assumed to be homogenous, isotropic and saturated. The slip velocity and the temperature jump were uniformly imposed to the wall. In modeling the flow, the Brinkmann-Forchheimer extended Darcy model was incorporated into the momentum equations. In the energy equation, the local thermal non equilibrium between the two phases was adopted. A modified axisymmetric lattice Boltzmann method was used to solve the obtained governing equation system. Attention was focused on the influence of the emerging parameters such as Knudsen number, Kn, Hartmann number, Ha, Eckert number, Ec, Biot number, Bi and the magnetic field inclination γ on flow and heat transfer throughout this paper.

  17. Beyond the Navier-Stokes equations: Burnett hydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Colin, L.S. [Department of Physics, Universidad Autonoma Metropolitana - Iztapalapa, Mexico D. F. 09340 (Mexico); El Colegio Nacional, Centro Historico, Mexico, 06020 (Mexico)], E-mail: lgcs@xanum.uam.mx; Velasco, R.M. [Department of Physics, Universidad Autonoma Metropolitana - Iztapalapa, Mexico D. F. 09340 (Mexico)], E-mail: rmvb@xanum.uam.mx; Uribe, F.J. [Department of Physics, Universidad Autonoma Metropolitana - Iztapalapa, Mexico D. F. 09340 (Mexico)], E-mail: paco@xanum.uam.mx

    2008-08-15

    This work is mainly concerned with the extension of hydrodynamics beyond the Navier-Stokes equations, a regime known as Burnett hydrodynamics. The derivation of the Burnett equations is considered from several theoretical approaches. In particular we discuss the Chapman-Enskog, Grad's method, and Truesdell's approach for solving the Boltzmann equation. Also, their derivation using the macroscopic approach given by extended thermodynamics is mentioned. The problems and successes of these equations are discussed and some alternatives proposed to improve them are mentioned. Comparisons of the predictions coming from the Burnett equations with experiments and/or simulations are given in order to have the necessary elements to give a critical assessment of their validity and usefulness.

  18. Fractional diffusion equation for heterogeneous medium

    Energy Technology Data Exchange (ETDEWEB)

    Polo L, M. A.; Espinosa M, E. G.; Espinosa P, G. [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Area de Ingenieria en Recursos Energeticos, Av, San Rafael Atlixco 186, Col. Vicentina, 09340 Mexico D. F. (Mexico); Del Valle G, E., E-mail: plabarrios@hotmail.com [Instituto Politecnico Nacional, Escuela Superior de Fisica y Matematicas, Av. IPN s/n, Col. San Pedro Zacatenco, 07738 Mexico D. F. (Mexico)

    2011-11-15

    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)

  19. 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.)

  20. Calculation of the permeability in porous media using the lattice Boltzmann method

    International Nuclear Information System (INIS)

    Eshghinejadfard, Amir; Daróczy, László; Janiga, Gábor; Thévenin, Dominique

    2016-01-01

    Highlights: • Lattice Boltzmann simulation of fluid flow in porous media delivers a high accuracy. • Domain size, relaxation time and force scheme affect the calculated permeability. • Multiple relaxation time model shows very low viscosity dependence as compared to single relaxation time. • The choice of relaxation time and force scheme is a trade-off between the required accuracy and computational cost. - Abstract: In this paper, the lattice Boltzmann method (LBM) is used to simulate three-dimensional laminar flows in porous media and to calculate the associated permeability. An in-house, parallelized code using the message passing interface technique is employed for the study. Three different flow configurations are studied: first, by manually specifying solid cells in a face-centered cube (FCC); then, doing the same in a body-centered cube (BCC); and finally by reading the solid cells for a real 3D geometry from a set of experimental 2D computed tomography images. In all simulations, the Reynolds number is kept well below 1. It was found that the current LBM simulations yield good estimates for the permeability value. The impact of the employed force scheme and single- or multiple-relaxation time (SRT, MRT) was also studied. Although each force scheme (Guo-SRT, Guo-MRT and Shan-Chen-SRT) may show better results in some regions, the strong dependency of SRT models on relaxation time suggests that the proper choice of the force scheme, relaxation time and domain resolution is a compromise between the required accuracy and computational cost. First, higher resolutions lead as expected to increasingly accurate results but requires more computational cost and time. Second, the MRT model shows a lower viscosity dependence in comparison with SRT models but is somewhat slower. Also, the results are more sensitive to the relaxation time value for coarser domains. Furthermore, lower relaxation times necessitate a higher number of iterations to reach the steady

  1. Ionic screening of charged impurities in electrolytically gated graphene: A partially linearized Poisson-Boltzmann model.

    Science.gov (United States)

    Sharma, P; Mišković, Z L

    2015-10-07

    We present a model describing the electrostatic interactions across a structure that consists of a single layer of graphene with large area, lying above an oxide substrate of finite thickness, with its surface exposed to a thick layer of liquid electrolyte containing salt ions. Our goal is to analyze the co-operative screening of the potential fluctuation in a doped graphene due to randomness in the positions of fixed charged impurities in the oxide by the charge carriers in graphene and by the mobile ions in the diffuse layer of the electrolyte. In order to account for a possibly large potential drop in the diffuse later that may arise in an electrolytically gated graphene, we use a partially linearized Poisson-Boltzmann (PB) model of the electrolyte, in which we solve a fully nonlinear PB equation for the surface average of the potential in one dimension, whereas the lateral fluctuations of the potential in graphene are tackled by linearizing the PB equation about the average potential. In this way, we are able to describe the regime of equilibrium doping of graphene to large densities for arbitrary values of the ion concentration without restrictions to the potential drop in the electrolyte. We evaluate the electrostatic Green's function for the partially linearized PB model, which is used to express the screening contributions of the graphene layer and the nearby electrolyte by means of an effective dielectric function. We find that, while the screened potential of a single charged impurity at large in-graphene distances exhibits a strong dependence on the ion concentration in the electrolyte and on the doping density in graphene, in the case of a spatially correlated two-dimensional ensemble of impurities, this dependence is largely suppressed in the autocovariance of the fluctuating potential.

  2. A viscosity adaption method for Lattice Boltzmann simulations

    Science.gov (United States)

    Conrad, Daniel; Schneider, Andreas; Böhle, Martin

    2014-11-01

    In this work, we consider the limited fitness for practical use of the Lattice Boltzmann Method for non-Newtonian fluid flows. Several authors have shown that the LBM is capable of correctly simulating those fluids. However, due to stability reasons the modeled viscosity range has to be truncated. The resulting viscosity boundaries are chosen arbitrarily, because the correct simulation Mach number for the physical problem is unknown a priori. This easily leads to corrupt simulation results. A viscosity adaption method (VAM) is derived which drastically improves the applicability of LBM for non-Newtonian fluid flows by adaption of the modeled viscosity range to the actual physical problem. This is done through tuning of the global Mach number to the solution-dependent shear rate. We demonstrate that the VAM can be used to accelerate LBM simulations and improve their accuracy, for both steady state and transient cases.

  3. Lattice Boltzmann modeling an introduction for geoscientists and engineers

    CERN Document Server

    Sukop, Michael C

    2005-01-01

    Lattice Boltzmann models have a remarkable ability to simulate single- and multi-phase fluids and transport processes within them. A rich variety of behaviors, including higher Reynolds numbers flows, phase separation, evaporation, condensation, cavitation, buoyancy, and interactions with surfaces can readily be simulated. This book provides a basic introduction that emphasizes intuition and simplistic conceptualization of processes. It avoids the more difficult mathematics that underlies LB models. The model is viewed from a particle perspective where collisions, streaming, and particle-particle/particle-surface interactions constitute the entire conceptual framework. Beginners and those with more interest in model application than detailed mathematical foundations will find this a powerful "quick start" guide. Example simulations, exercises, and computer codes are included. Working code is provided on the Internet.

  4. Distribution Learning in Evolutionary Strategies and Restricted Boltzmann Machines

    DEFF Research Database (Denmark)

    Krause, Oswin

    The thesis is concerned with learning distributions in the two settings of Evolutionary Strategies (ESs) and Restricted Boltzmann Machines (RBMs). In both cases, the distributions are learned from samples, albeit with different goals. Evolutionary Strategies are concerned with finding an optimum...... of an objective function for which the gradient is not available. The algorithm samples function values from a search distribution and adapts the parameters of the distribution during the optimization process. In the thesis, new update schemes for the covariance matrix used by the CMA-ES are investigated....... An update rule using a triangular Cholesky factor is introduced and the additive covariance matrix update is replaced by a multiplicative rule. Experiments show that the proposed methods improve performance of the CMA-ES either computationally or by allowing simpler handling of constraints. The second part...

  5. Spreading Dynamics of Nanodrops: a Lattice Boltzmann Study

    Science.gov (United States)

    Gross, Markus; Varnik, Fathollah

    2014-01-01

    Spreading of nano-droplets is an interesting and technologically relevant phenomenon, where thermal fluctuations lead to unexpected deviations from well-known deterministic laws. Here, we apply the newly developed fluctuating nonideal lattice Boltzmann (LB) method [M. Gross, M. E. Cates, F. Varnik and R. Adhikari, J. Stat. Mech.2011, P03030 (2011)] for the study of this issue. Confirming the predictions of Davidovich and coworkers [Phys. Rev. Lett.95, 244905 (2005)], we provide the first independent evidence for the existence of an asymptotic, self-similar noise-driven spreading regime in both two- (2D) and three-dimensional (3D) geometry. The cross over from the deterministic Tanner's law, where the drop's base radius b grows (in 3D) with time as b t1/10 and the noise dominated regime, where b t1/6 is also observed by tuning the strength of thermal noise.

  6. Lattice Boltzmann model for melting with natural convection

    International Nuclear Information System (INIS)

    Huber, Christian; Parmigiani, Andrea; Chopard, Bastien; Manga, Michael; Bachmann, Olivier

    2008-01-01

    We develop a lattice Boltzmann method to couple thermal convection and pure-substance melting. The transition from conduction-dominated heat transfer to fully-developed convection is analyzed and scaling laws and previous numerical results are reproduced by our numerical method. We also investigate the limit in which thermal inertia (high Stefan number) cannot be neglected. We use our results to extend the scaling relations obtained at low Stefan number and establish the correlation between the melting front propagation and the Stefan number for fully-developed convection. We conclude by showing that the model presented here is particularly well-suited to study convection melting in geometrically complex media with many applications in geosciences

  7. Lattice Boltzmann Simulation of Multiple Bubbles Motion under Gravity

    Directory of Open Access Journals (Sweden)

    Deming Nie

    2015-01-01

    Full Text Available The motion of multiple bubbles under gravity in two dimensions is numerically studied through the lattice Boltzmann method for the Eotvos number ranging from 1 to 12. Two kinds of initial arrangement are taken into account: vertical and horizontal arrangement. In both cases the effects of Eotvos number on the bubble coalescence and rising velocity are investigated. For the vertical arrangement, it has been found that the coalescence pattern is similar. The first coalescence always takes place between the two uppermost bubbles. And the last coalescence always takes place between the coalesced bubble and the bottommost bubble. For four bubbles in a horizontal arrangement, the outermost bubbles travel into the wake of the middle bubbles in all cases, which allows the bubbles to coalesce. The coalescence pattern is more complex for the case of eight bubbles, which strongly depends on the Eotvos number.

  8. Boundary Slip and Surface Interaction: A Lattice Boltzmann Simulation

    International Nuclear Information System (INIS)

    Yan-Yan, Chen; Hua-Bing, Li; Hou-Hui, Yi

    2008-01-01

    The factors affecting slip length in Couette geometry flows are analysed by means of a two-phase mesoscopic lattice Boltzmann model including non-ideal fluid-fluid and fluid-wall interactions. The main factors influencing the boundary slip are the strength of interactions between fluid-fluid and fluid-wall particles. Other factors, such as fluid viscosity, bulk pressure may also change the slip length. We find that boundary slip only occurs under a certain density (bulk pressure). If the density is large enough, the slip length will tend to zero. In our simulations, a low density layer near the wall does not need to be postulated a priori but emerges naturally from the underlying non-ideal mesoscopic dynamics. It is the low density layer that induces the boundary slip. The results may be helpful to understand recent experimental observations on the slippage of micro flows

  9. Conditional High-Order Boltzmann Machines for Supervised Relation Learning.

    Science.gov (United States)

    Huang, Yan; Wang, Wei; Wang, Liang; Tan, Tieniu

    2017-09-01

    Relation learning is a fundamental problem in many vision tasks. Recently, high-order Boltzmann machine and its variants have shown their great potentials in learning various types of data relation in a range of tasks. But most of these models are learned in an unsupervised way, i.e., without using relation class labels, which are not very discriminative for some challenging tasks, e.g., face verification. In this paper, with the goal to perform supervised relation learning, we introduce relation class labels into conventional high-order multiplicative interactions with pairwise input samples, and propose a conditional high-order Boltzmann Machine (CHBM), which can learn to classify the data relation in a binary classification way. To be able to deal with more complex data relation, we develop two improved variants of CHBM: 1) latent CHBM, which jointly performs relation feature learning and classification, by using a set of latent variables to block the pathway from pairwise input samples to output relation labels and 2) gated CHBM, which untangles factors of variation in data relation, by exploiting a set of latent variables to multiplicatively gate the classification of CHBM. To reduce the large number of model parameters generated by the multiplicative interactions, we approximately factorize high-order parameter tensors into multiple matrices. Then, we develop efficient supervised learning algorithms, by first pretraining the models using joint likelihood to provide good parameter initialization, and then finetuning them using conditional likelihood to enhance the discriminant ability. We apply the proposed models to a series of tasks including invariant recognition, face verification, and action similarity labeling. Experimental results demonstrate that by exploiting supervised relation labels, our models can greatly improve the performance.

  10. Derivation of stable Burnett equations for rarefied gas flows.

    Science.gov (United States)

    Singh, Narendra; Jadhav, Ravi Sudam; Agrawal, Amit

    2017-07-01

    A set of constitutive relations for the stress tensor and heat flux vector for the hydrodynamic description of rarefied gas flows is derived in this work. A phase density function consistent with Onsager's reciprocity principle and H theorem is utilized to capture nonequilibrium thermodynamics effects. The phase density function satisfies the linearized Boltzmann equation and the collision invariance property. Our formulation provides the correct value of the Prandtl number as it involves two different relaxation times for momentum and energy transport by diffusion. Generalized three-dimensional constitutive equations for different kinds of molecules are derived using the phase density function. The derived constitutive equations involve cross single derivatives of field variables such as temperature and velocity, with no higher-order derivative in higher-order terms. This is remarkable feature of the equations as the number of boundary conditions required is the same as needed for conventional Navier-Stokes equations. Linear stability analysis of the equations is performed, which shows that the derived equations are unconditionally stable. A comparison of the derived equations with existing Burnett-type equations is presented and salient features of our equations are outlined. The classic internal flow problem, force-driven compressible plane Poiseuille flow, is chosen to verify the stable Burnett equations and the results for equilibrium variables are presented.

  11. Mechanistic slumber vs. statistical insomnia: the early history of Boltzmann's H-theorem (1868-1877)

    Science.gov (United States)

    Badino, M.

    2011-11-01

    An intricate, long, and occasionally heated debate surrounds Boltzmann's H-theorem (1872) and his combinatorial interpretation of the second law (1877). After almost a century of devoted and knowledgeable scholarship, there is still no agreement as to whether Boltzmann changed his view of the second law after Loschmidt's 1876 reversibility argument or whether he had already been holding a probabilistic conception for some years at that point. In this paper, I argue that there was no abrupt statistical turn. In the first part, I discuss the development of Boltzmann's research from 1868 to the formulation of the H-theorem. This reconstruction shows that Boltzmann adopted a pluralistic strategy based on the interplay between a kinetic and a combinatorial approach. Moreover, it shows that the extensive use of asymptotic conditions allowed Boltzmann to bracket the problem of exceptions. In the second part I suggest that both Loschmidt's challenge and Boltzmann's response to it did not concern the H-theorem. The close relation between the theorem and the reversibility argument is a consequence of later investigations on the subject.

  12. Hydraulic fracture conductivity: effects of rod-shaped proppant from lattice-Boltzmann simulations and lab tests

    Science.gov (United States)

    Osiptsov, Andrei A.

    2017-06-01

    The goal of this study is to evaluate the conductivity of random close packings of non-spherical, rod-shaped proppant particles under the closure stress using numerical simulation and lab tests, with application to the conductivity of hydraulic fractures created in subterranean formation to stimulate production from oil and gas reservoirs. Numerical simulations of a steady viscous flow through proppant packs are carried out using the lattice Boltzmann method for the Darcy flow regime. The particle packings were generated numerically using the sequential deposition method. The simulations are conducted for packings of spheres, ellipsoids, cylinders, and mixtures of spheres with cylinders at various volumetric concentrations. It is demonstrated that cylinders provide the highest permeability among the proppants studied. The dependence of the nondimensional permeability (scaled by the equivalent particle radius squared) on porosity obtained numerically is well approximated by the power-law function: K /Rv2 = 0.204ϕ4.58 in a wide range of porosity: 0.3 ≤ ϕ ≤ 0.7. Lattice-Boltzmann simulations are cross-verified against finite-volume simulations using Navier-Stokes equations for inertial flow regime. Correlations for the normalized beta-factor as a function of porosity and normalized permeability are presented as well. These formulae are in a good agreement with the experimental measurements (including packings of rod-shaped particles) and existing laboratory data, available in the porosity range 0.3 ≤ ϕ ≤ 0.5. Comparison with correlations by other authors is also given.

  13. Application of a flexible lattice Boltzmann method based simulation tool for modelling physico-chemical processes at different scales

    Science.gov (United States)

    Patel, Ravi A.; Perko, Janez; Jacques, Diederik

    2017-04-01

    Often, especially in the disciplines related to natural porous media, such as for example vadoze zone or aquifer hydrology or contaminant transport, the relevant spatial and temporal scales on which we need to provide information is larger than the scale where the processes actually occur. Usual techniques used to deal with these problems assume the existence of a REV. However, in order to understand the behavior on larger scales it is important to downscale the problem onto the relevant scale of the processes. Due to the limitations of resources (time, memory) the downscaling can only be made up to the certain lower scale. At this lower scale still several scales may co-exist - the scale which can be explicitly described and a scale which needs to be conceptualized by effective properties. Hence, models which are supposed to provide effective properties on relevant scales should therefor be flexible enough to represent complex pore-structure by explicit geometry on one side, and differently defined processes (e.g. by the effective properties) which emerge on lower scale. In this work we present the state-of-the-art lattice Boltzmann method based simulation tool applicable to advection-diffusion equation coupled to geochemical processes. The lattice Boltzmann transport solver can be coupled with an external geochemical solver which allows to account for a wide range of geochemical reaction networks through thermodynamic databases. The applicability to multiphase systems is ongoing. We provide several examples related to the calculation of an effective diffusion properties, permeability and effective reaction rate based on a continuum scale based on the pore scale geometry.

  14. From Lattice Boltzmann to hydrodynamics in dissipative relativistic fluids

    Science.gov (United States)

    Gabbana, Alessandro; Mendoza, Miller; Succi, Sauro; Tripiccione, Raffaele

    2017-11-01

    Relativistic fluid dynamics is currently applied to several fields of modern physics, covering many physical scales, from astrophysics, to atomic scales (e.g. in the study of effective 2D systems such as graphene) and further down to subnuclear scales (e.g. quark-gluon plasmas). This talk focuses on recent progress in the largely debated connection between kinetic transport coefficients and macroscopic hydrodynamic parameters in dissipative relativistic fluid dynamics. We use a new relativistic Lattice Boltzmann method (RLBM), able to handle from ultra-relativistic to almost non-relativistic flows, and obtain strong evidence that the Chapman-Enskog expansion provides the correct pathway from kinetic theory to hydrodynamics. This analysis confirms recently obtained theoretical results, which can be used to obtain accurate calibrations for RLBM methods applied to realistic physics systems in the relativistic regime. Using this calibration methodology, RLBM methods are able to deliver improved physical accuracy in the simulation of the physical systems described above. European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 642069.

  15. A dynamically adaptive lattice Boltzmann method for thermal convection problems

    Directory of Open Access Journals (Sweden)

    Feldhusen Kai

    2016-12-01

    Full Text Available Utilizing the Boussinesq approximation, a double-population incompressible thermal lattice Boltzmann method (LBM for forced and natural convection in two and three space dimensions is developed and validated. A block-structured dynamic adaptive mesh refinement (AMR procedure tailored for the LBM is applied to enable computationally efficient simulations of moderate to high Rayleigh number flows which are characterized by a large scale disparity in boundary layers and free stream flow. As test cases, the analytically accessible problem of a two-dimensional (2D forced convection flow through two porous plates and the non-Cartesian configuration of a heated rotating cylinder are considered. The objective of the latter is to advance the boundary conditions for an accurate treatment of curved boundaries and to demonstrate the effect on the solution. The effectiveness of the overall approach is demonstrated for the natural convection benchmark of a 2D cavity with differentially heated walls at Rayleigh numbers from 103 up to 108. To demonstrate the benefit of the employed AMR procedure for three-dimensional (3D problems, results from the natural convection in a cubic cavity at Rayleigh numbers from 103 up to 105 are compared with benchmark results.

  16. Axisymmetric Lattice Boltzmann Model of Droplet Impact on Solid Surfaces

    Science.gov (United States)

    Dalgamoni, Hussein; Yong, Xin

    2017-11-01

    Droplet impact is a ubiquitous fluid phenomena encountered in scientific and engineering applications such as ink-jet printing, coating, electronics manufacturing, and many others. It is of great technological importance to understand the detailed dynamics of drop impact on various surfaces. The lattice Boltzmann method (LBM) emerges as an efficient method for modeling complex fluid systems involving rapidly evolving fluid-fluid and fluid-solid interfaces with complex geometries. In this work, we model droplet impact on flat solid substrates with well-defined wetting behavior using a two-phase axisymmetric LBM with high density and viscosity contrasts. We extend the two-dimensional Lee and Liu model to capture axisymmetric effect in the normal impact. First we compare the 2D axisymmetric results with the 2D and 3D results reported by Lee and Liu to probe the effect of axisymmetric terms. Then, we explore the effects of Weber number, Ohnesorge number, and droplet-surface equilibrium contact angle on the impact. The dynamic contact angle and spreading factor of the droplet during impact are investigated to qualitatively characterize the impact dynamics.

  17. Equivalence of restricted Boltzmann machines and tensor network states

    Science.gov (United States)

    Chen, Jing; Cheng, Song; Xie, Haidong; Wang, Lei; Xiang, Tao

    2018-02-01

    The restricted Boltzmann machine (RBM) is one of the fundamental building blocks of deep learning. RBM finds wide applications in dimensional reduction, feature extraction, and recommender systems via modeling the probability distributions of a variety of input data including natural images, speech signals, and customer ratings, etc. We build a bridge between RBM and tensor network states (TNS) widely used in quantum many-body physics research. We devise efficient algorithms to translate an RBM into the commonly used TNS. Conversely, we give sufficient and necessary conditions to determine whether a TNS can be transformed into an RBM of given architectures. Revealing these general and constructive connections can cross fertilize both deep learning and quantum many-body physics. Notably, by exploiting the entanglement entropy bound of TNS, we can rigorously quantify the expressive power of RBM on complex data sets. Insights into TNS and its entanglement capacity can guide the design of more powerful deep learning architectures. On the other hand, RBM can represent quantum many-body states with fewer parameters compared to TNS, which may allow more efficient classical simulations.

  18. Lattice Boltzmann study of droplet motion inside a grooved channel

    Science.gov (United States)

    Huang, Jun Jie; Shu, Chang; Chew, Yong Tian

    2009-02-01

    A droplet moving inside a grooved channel is studied by using a new lattice Boltzmann model for multiphase flows with large density ratio. A constant body force is applied to drive the droplet. Flows under different surface tensions, driving forces, density ratios, wall wettabilities, and groove geometries are investigated. It is found that the drag on the droplet and the flow pattern are strongly affected by the wall wettability and topography when the system scale is small. The effects of the driving force on the droplet are investigated through comparison of two different ways of applying it. Besides, the density ratio is varied over a wide range to assess its effects in the present setup. Special attention is paid to grooved hydrophilic walls which tend to enhance the droplet-wall contact. For such walls, two distinctive types of shape of the interface inside the groove are found and series of numerical investigations are carried out to find the critical wall contact angle, groove width and depth that determine which kind of shape the droplet assumes. Some typical cases are chosen for detailed analyses and compared to some other work. This study is expected to improve our understanding on the lotus effect and the physics of small scale flows near rough walls.

  19. Lattice-Boltzmann Modeling of Interfacial Dynamics in Porous Media

    Science.gov (United States)

    Porter, M. L.; Coon, E. T.; Kang, Q.; Carey, J. W.

    2012-12-01

    Traditional continuum scale multiphase flow models rely heavily on average properties and constitutive relationships that do not always accurately represent the underlying physics affecting flow and transport at the pore scale. These models are typically based on heuristic extensions of Darcy's law, rather than formally upscaling conservation principles that account for the microscale physics. As a result, constitutive relationships, such as capillary pressure and relative permeability, are highly simplified. It has been recognized that continuum scale multiphase flow models must include gradients of saturation and specific fluid-fluid interfacial area, in addition to the Darcy pressure gradient, as driving forces for the flow of multiple fluids in porous media. In this work, we investigate interfacial dynamics in porous media using a multicomponent lattice-Boltzmann simulator. We present simulations of drainage and imbibition in 2D and 3D heterogeneous porous media. We validate the simulations by comparing specific interfacial area estimates with those obtained from experiments. In addition, we present estimates of continuum scale interfacial velocity and the production/destruction of specific interfacial area.

  20. Lattice Boltzmann Simulation Optimization on Leading Multicore Platforms

    Energy Technology Data Exchange (ETDEWEB)

    Williams, Samuel; Carter, Jonathan; Oliker, Leonid; Shalf, John; Yelick, Katherine

    2008-02-01

    We present an auto-tuning approach to optimize application performance on emerging multicore architectures. The methodology extends the idea of search-based performance optimizations, popular in linear algebra and FFT libraries, to application-specific computational kernels. Our work applies this strategy to a lattice Boltzmann application (LBMHD) that historically has made poor use of scalar microprocessors due to its complex data structures and memory access patterns. We explore one of the broadest sets of multicore architectures in the HPC literature, including the Intel Clovertown, AMD Opteron X2, Sun Niagara2, STI Cell, as well as the single core Intel Itanium2. Rather than hand-tuning LBMHD for each system, we develop a code generator that allows us identify a highly optimized version for each platform, while amortizing the human programming effort. Results show that our auto-tuned LBMHD application achieves up to a 14x improvement compared with the original code. Additionally, we present detailed analysis of each optimization, which reveal surprising hardware bottlenecks and software challenges for future multicore systems and applications.

  1. Lattice Boltzmann simulation optimization on leading multicore platforms

    Energy Technology Data Exchange (ETDEWEB)

    Williams, S. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); Carter, J. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Oliker, L. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Shalf, J. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Yelick, K. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)

    2008-01-01

    We present an auto-tuning approach to optimize application performance on emerging multicore architectures. The methodology extends the idea of searchbased performance optimizations, popular in linear algebra and FFT libraries, to application-specific computational kernels. Our work applies this strategy to a lattice Boltzmann application (LBMHD) that historically has made poor use of scalar microprocessors due to its complex data structures and memory access patterns. We explore one of the broadest sets of multicore architectures in the HPC literature, including the Intel Clovertown, AMD Opteron X2, Sun Niagara2, STI Cell, as well as the single core Intel Itanium2. Rather than hand-tuning LBMHD for each system, we develop a code generator that allows us identify a highly optimized version for each platform, while amortizing the human programming effort. Results show that our autotuned LBMHD application achieves up to a 14 improvement compared with the original code. Additionally, we present detailed analysis of each optimization, which reveal surprising hardware bottlenecks and software challenges for future multicore systems and applications.

  2. A Boltzmann constant determination based on Johnson noise thermometry

    Science.gov (United States)

    Flowers-Jacobs, N. E.; Pollarolo, A.; Coakley, K. J.; Fox, A. E.; Rogalla, H.; Tew, W. L.; Benz, S. P.

    2017-10-01

    A value for the Boltzmann constant was measured electronically using an improved version of the Johnson Noise Thermometry (JNT) system at the National Institute of Standards and Technology (NIST), USA. This system is different from prior ones, including those from the 2011 determination at NIST and both 2015 and 2017 determinations at the National Institute of Metrology (NIM), China. As in all three previous determinations, the main contribution to the combined uncertainty is the statistical uncertainty in the noise measurement, which is mitigated by accumulating and integrating many weeks of cross-correlated measured data. The second major uncertainty contribution also still results from variations in the frequency response of the ratio of the measured spectral noise of the two noise sources, the sense resistor at the triple-point of water and the superconducting quantum voltage noise source. In this paper, we briefly describe the major differences between our JNT system and previous systems, in particular the input circuit and approach we used to match the frequency responses of the two noise sources. After analyzing and integrating 50 d of accumulated data, we determined a value: k~=1.380 642 9(69)× {{10}-23} J K-1 with a relative standard uncertainty of 5.0× {{10}-6} and relative offset -4.05× {{10}-6} from the CODATA 2014 recommended value.

  3. Lattice-Boltzmann simulations in reconstructed parametrized porous media

    Science.gov (United States)

    Ahrenholz, Benjamin; Tölke, Jonas; Krafczyk, Manfred

    2006-07-01

    Computations of flows in explicitly resolved porous media reported in the literature so far are based on binarized porous media data mapped to uniform Cartesian grids. The voxel set is directly being used as the computational grid and thus the geometrical representation is usually only first-order accurate due to stair-case patterns. In this work, we pursue a more elaborate approach: starting from a highly resolved tomographic grey value data set we utilize a Marching Cube algorithm to reconstruct the surface of the porous medium as a set of planar triangles. The numerical resolution of the Cartesian grid for the simulation can then be chosen independently from the voxel set. As we take into account the subgrid distances between the nodes of the Cartesian grid and the planar triangle surfaces, one can utilize a second-order accurate lattice Boltzmann flow solver to efficiently compute, e.g. permeabilities. As these interpolation-based no-slip boundary conditions are not mass preserving, we also present a local modification of the no-slip boundary condition restoring mass conservation. Our numerical results demonstrate that for saturated flow simulations this coupled approach allows a substantial acceleration of saturated flow computations in porous media.

  4. Modeling thermal inkjet and cell printing process using modified pseudopotential and thermal lattice Boltzmann methods

    Science.gov (United States)

    Sohrabi, Salman; Liu, Yaling

    2018-03-01

    Pseudopotential lattice Boltzmann methods (LBMs) can simulate a phase transition in high-density ratio multiphase flow systems. If coupled with thermal LBMs through equation of state, they can be used to study instantaneous phase transition phenomena with a high-temperature gradient where only one set of formulations in an LBM system can handle liquid, vapor, phase transition, and heat transport. However, at lower temperatures an unrealistic spurious current at the interface introduces instability and limits its application in real flow system. In this study, we proposed new modifications to the LBM system to minimize a spurious current which enables us to study nucleation dynamic at room temperature. To demonstrate the capabilities of this approach, the thermal ejection process is modeled as one example of a complex flow system. In an inkjet printer, a thermal pulse instantly heats up the liquid in a microfluidic chamber and nucleates bubble vapor providing the pressure pulse necessary to eject droplets at high speed. Our modified method can present a more realistic model of the explosive vaporization process since it can also capture a high-temperature/density gradient at nucleation region. Thermal inkjet technology has been successfully applied for printing cells, but cells are susceptible to mechanical damage or death as they squeeze out of the nozzle head. To study cell deformation, a spring network model, representing cells, is connected to the LBM through the immersed boundary method. Looking into strain and stress distribution of a cell membrane at its most deformed state, it is found that a high stretching rate effectively increases the rupture tension. In other words, membrane deformation energy is released through creation of multiple smaller nanopores rather than big pores. Overall, concurrently simulating multiphase flow, phase transition, heat transfer, and cell deformation in one unified LB platform, we are able to provide a better insight into the

  5. Direct numerical simulation of turbulent pipe flow using the lattice Boltzmann method

    Science.gov (United States)

    Peng, Cheng; Geneva, Nicholas; Guo, Zhaoli; Wang, Lian-Ping

    2018-03-01

    In this paper, we present a first direct numerical simulation (DNS) of a turbulent pipe flow using the mesoscopic lattice Boltzmann method (LBM) on both a D3Q19 lattice grid and a D3Q27 lattice grid. DNS of turbulent pipe flows using LBM has never been reported previously, perhaps due to inaccuracy and numerical stability associated with the previous implementations of LBM in the presence of a curved solid surface. In fact, it was even speculated that the D3Q19 lattice might be inappropriate as a DNS tool for turbulent pipe flows. In this paper, we show, through careful implementation, accurate turbulent statistics can be obtained using both D3Q19 and D3Q27 lattice grids. In the simulation with D3Q19 lattice, a few problems related to the numerical stability of the simulation are exposed. Discussions and solutions for those problems are provided. The simulation with D3Q27 lattice, on the other hand, is found to be more stable than its D3Q19 counterpart. The resulting turbulent flow statistics at a friction Reynolds number of Reτ = 180 are compared systematically with both published experimental and other DNS results based on solving the Navier-Stokes equations. The comparisons cover the mean-flow profile, the r.m.s. velocity and vorticity profiles, the mean and r.m.s. pressure profiles, the velocity skewness and flatness, and spatial correlations and energy spectra of velocity and vorticity. Overall, we conclude that both D3Q19 and D3Q27 simulations yield accurate turbulent flow statistics. The use of the D3Q27 lattice is shown to suppress the weak secondary flow pattern in the mean flow due to numerical artifacts.

  6. Coupled Boltzmann computation of mixed axion neutralino dark matter in the SUSY DFSZ axion model

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Kyu Jung; Baer, Howard; Serce, Hasan [Department of Physics and Astronomy, University of Oklahoma, 440 West Brooks, Norman, OK 73019 (United States); Lessa, Andre, E-mail: bae@nhn.ou.edu, E-mail: baer@nhn.ou.edu, E-mail: lessa@fma.if.usp.br, E-mail: serce@ou.edu [Instituto de Física, Universidade de São Paulo, São Paulo – SP (Brazil)

    2014-10-01

    The supersymmetrized DFSZ axion model is highly motivated not only because it offers solutions to both the gauge hierarchy and strong CP problems, but also because it provides a solution to the SUSY μ-problem which naturally allows for a Little Hierarchy. We compute the expected mixed axion-neutralino dark matter abundance for the SUSY DFSZ axion model in two benchmark cases—a natural SUSY model with a standard neutralino underabundance (SUA) and an mSUGRA/CMSSM model with a standard overabundance (SOA). Our computation implements coupled Boltzmann equations which track the radiation density along with neutralino, axion, axion CO (produced via coherent oscillations), saxion, saxion CO, axino and gravitino densities. In the SUSY DFSZ model, axions, axinos and saxions go through the process of freeze-in—in contrast to freeze-out or out-of-equilibrium production as in the SUSY KSVZ model—resulting in thermal yields which are largely independent of the re-heat temperature. We find the SUA case with suppressed saxion-axion couplings (ξ=0) only admits solutions for PQ breaking scale f{sub a}∼< 6× 10{sup 12} GeV where the bulk of parameter space tends to be axion-dominated. For SUA with allowed saxion-axion couplings (ξ =1), then f{sub a} values up to ∼ 10{sup 14} GeV are allowed. For the SOA case, almost all of SUSY DFSZ parameter space is disallowed by a combination of overproduction of dark matter, overproduction of dark radiation or violation of BBN constraints. An exception occurs at very large f{sub a}∼ 10{sup 15}–10{sup 16} GeV where large entropy dilution from CO-produced saxions leads to allowed models.

  7. Lattice Boltzmann Study on Seawall-Break Flows under the Influence of Breach and Buildings

    Science.gov (United States)

    Mei, Qiu-Ying; Zhang, Wen-Huan; Wang, Yi-Hang; Chen, Wen-Wen

    2017-10-01

    In the process of storm surge, the seawater often overflows and even destroys the seawall. The buildings near the shore are usually inundated by the seawater through the breach. However, at present, there is little study focusing on the effects of buildings and breach on the seawall-break flows. In this paper, the lattice Boltzmann (LB) model with nine velocities in two dimensions (D2Q9) for the shallow water equations is adopted to simulate the seawall-break flows. The flow patterns and water depth distributions for the seawall-break flows under various densities, layouts and shapes of buildings and different breach discharges, sizes and locations are investigated. It is found that when buildings with a high enough density are perpendicular to the main flow direction, an obvious backwater phenomenon appears near buildings while this phenomenon does not occur when buildings with the same density are parallel to the main flow direction. Moreover, it is observed that the occurrence of backwater phenomenon is independent of the building shape. As to the effects of breach on the seawall-break flows, it is found that only when the breach discharge is large enough or the breach size is small enough, the effects of asymmetric distribution of buildings on the seawall-break flows become important. The breach location only changes the flow pattern in the upstream area of the first building that seawater meets, but has little impact on the global water depth distribution. Supported by the National Natural Science Foundation of China under Grant No. 11502124, the Natural Science Foundation of Zhejiang Province under Grant No. LQ16A020001, the Scientific Research Fund of Zhejiang Provincial Education Department under Grant No. Y201533808, the Natural Science Foundation of Ningbo under Grant No. 2016A610075, and is sponsored by K.C. Wong Magna Fund in Ningbo University.

  8. Poisson-Boltzmann theory of charged colloids: limits of the cell model for salty suspensions

    International Nuclear Information System (INIS)

    Denton, A R

    2010-01-01

    Thermodynamic properties of charge-stabilized colloidal suspensions and polyelectrolyte solutions are commonly modelled by implementing the mean-field Poisson-Boltzmann (PB) theory within a cell model. This approach models a bulk system by a single macroion, together with counterions and salt ions, confined to a symmetrically shaped, electroneutral cell. While easing numerical solution of the nonlinear PB equation, the cell model neglects microion-induced interactions and correlations between macroions, precluding modelling of macroion ordering phenomena. An alternative approach, which avoids the artificial constraints of cell geometry, exploits the mapping of a macroion-microion mixture onto a one-component model of pseudo-macroions governed by effective interparticle interactions. In practice, effective-interaction models are usually based on linear-screening approximations, which can accurately describe strong nonlinear screening only by incorporating an effective (renormalized) macroion charge. Combining charge renormalization and linearized PB theories, in both the cell model and an effective-interaction (cell-free) model, we compute osmotic pressures of highly charged colloids and monovalent microions, in Donnan equilibrium with a salt reservoir, over a range of concentrations. By comparing predictions with primitive model simulation data for salt-free suspensions, and with predictions from nonlinear PB theory for salty suspensions, we chart the limits of both the cell model and linear-screening approximations in modelling bulk thermodynamic properties. Up to moderately strong electrostatic couplings, the cell model proves accurate for predicting osmotic pressures of deionized (counterion-dominated) suspensions. With increasing salt concentration, however, the relative contribution of macroion interactions to the osmotic pressure grows, leading predictions from the cell and effective-interaction models to deviate. No evidence is found for a liquid

  9. Stochastic partial differential equations

    CERN Document Server

    Chow, Pao-Liu

    2014-01-01

    Preliminaries Introduction Some Examples Brownian Motions and Martingales Stochastic Integrals Stochastic Differential Equations of Itô Type Lévy Processes and Stochastic IntegralsStochastic Differential Equations of Lévy Type Comments Scalar Equations of First Order Introduction Generalized Itô's Formula Linear Stochastic Equations Quasilinear Equations General Remarks Stochastic Parabolic Equations Introduction Preliminaries Solution of Stochastic Heat EquationLinear Equations with Additive Noise Some Regularity Properties Stochastic Reaction-Diffusion Equations Parabolic Equations with Grad

  10. An Explicit Formulation of Singularity-Free Dynamic Equations of Mechanical Systems in Lagrangian Form---Part Two: Multibody Systems

    Directory of Open Access Journals (Sweden)

    Pål Johan From

    2012-04-01

    Full Text Available This paper presents the explicit dynamic equations of multibody mechanical systems. This is the second paper on this topic. In the first paper the dynamics of a single rigid body from the Boltzmann--Hamel equations were derived. In this paper these results are extended to also include multibody systems. We show that when quasi-velocities are used, the part of the dynamic equations that appear from the partial derivatives of the system kinematics are identical to the single rigid body case, but in addition we get terms that come from the partial derivatives of the inertia matrix, which are not present in the single rigid body case. We present for the first time the complete and correct derivation of multibody systems based on the Boltzmann--Hamel formulation of the dynamics in Lagrangian form where local position and velocity variables are used in the derivation to obtain the singularity-free dynamic equations. The final equations are written in global variables for both position and velocity. The main motivation of these papers is to allow practitioners not familiar with differential geometry to implement the dynamic equations of rigid bodies without the presence of singularities. Presenting the explicit dynamic equations also allows for more insight into the dynamic structure of the system. Another motivation is to correct some errors commonly found in the literature. Unfortunately, the formulation of the Boltzmann-Hamel equations used here are presented incorrectly. This has been corrected by the authors, but we present here, for the first time, the detailed mathematical details on how to arrive at the correct equations. We also show through examples that using the equations presented here, the dynamics of a single rigid body is reduced to the standard equations on a Lagrangian form, for example Euler's equations for rotational motion and Euler--Lagrange equations for free motion.

  11. Flux Limiter Lattice Boltzmann Scheme Approach to Compressible Flows with Flexible Specific-Heat Ratio and Prandtl Number

    International Nuclear Information System (INIS)

    Gan Yanbiao; Li Yingjun; Xu Aiguo; Zhang Guangcai

    2011-01-01

    We further develop the lattice Boltzmann (LB) model [Physica A 382 (2007) 502] for compressible flows from two aspects. Firstly, we modify the Bhatnagar-Gross-Krook (BGK) collision term in the LB equation, which makes the model suitable for simulating flows with different Prandtl numbers. Secondly, the flux limiter finite difference (FLFD) scheme is employed to calculate the convection term of the LB equation, which makes the unphysical oscillations at discontinuities be effectively suppressed and the numerical dissipations be significantly diminished. The proposed model is validated by recovering results of some well-known benchmarks, including (i) The thermal Couette flow; (ii) One- and two-dimensional Riemann problems. Good agreements are obtained between LB results and the exact ones or previously reported solutions. The flexibility, together with the high accuracy of the new model, endows the proposed model considerable potential for tracking some long-standing problems and for investigating nonlinear nonequilibrium complex systems. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  12. Three-dimensional cylindrical Kadomtsev-Petviashvili equation in a dusty electronegative plasma

    Science.gov (United States)

    Moslem, W. M.; Abdelsalam, U. M.; Sabry, R.; El-Shamy, E. F.; El-Labany, S. K.

    2010-08-01

    The hydrodynamic equations of positive and negative ions, Boltzmann electron density distribution and Poisson equation with stationary dust particles are used along with the reductive perturbation method to derive a three-dimensional cylindrical Kadomtsev-Petviashvili equation. The generalized expansion method, used to obtain a new class of solutions, admits a train of well-separated bell-shaped periodic pulses. At certain condition, these periodic pulses degenerate to solitary wave solutions. The effects of the physical parameters on the solitary pulses are examined. Finally, the present results should elucidate the properties of ion-acoustic solitary pulses in multi-component plasmas, particularly in Earth's ionosphere.

  13. Analytical Solution for Fractional Derivative Gas-Flow Equation in Porous Media

    KAUST Repository

    El-Amin, Mohamed

    2017-07-06

    In this paper, we introduce an analytical solution of the fractional derivative gas transport equation using the power-series technique. We present a new universal transform, namely, generalized Boltzmann change of variable which depends on the fractional order, time and space. This universal transform is employed to transfer the partial differential equation into an ordinary differential equation. Moreover, the convergence of the solution has been investigated and found that solutions are unconditionally converged. Results are introduced and discussed for the universal variable and other physical parameters such as porosity and permeability of the reservoir; time and space.

  14. Equations for the kinetic modeling of supersonically flowing electrically excited lasers

    International Nuclear Information System (INIS)

    Lind, R.C.

    1973-01-01

    The equations for the kinetic modeling of a supersonically flowing electrically excited laser system are presented. The work focuses on the use of diatomic gases, in particular carbon monoxide mixtures. The equations presented include the vibrational rate equation which describes the vibrational population distribution, the electron, ion and electronic level rate equations, the gasdynamic equations for an ionized gas in the presence of an applied electric field, and the free electron Boltzmann equation including flow and gradient coupling terms. The model developed accounts for vibration--vibration collisions, vibration-translation collisions, electron-molecule inelastic excitation and superelastic de-excitation collisions, charge particle collisions, ionization and three body recombination collisions, elastic collisions, and radiative decay, all of which take place in such a system. A simplified form of the free electron Boltzmann equation is developed and discussed with emphasis placed on its coupling with the supersonic flow. A brief description of a possible solution procedure for the set of coupled equations is discussed

  15. Ca/Na selectivity coefficients from the Poisson-Boltzmann theory

    International Nuclear Information System (INIS)

    Hedstroem, Magnus; Karnland, Ola

    2010-01-01

    Document available in extended abstract form only. A possible scenario in the post-glacial evolution of the bentonite buffer used in a KBS-3 repository for spent nuclear fuel is that parts of the buffer may erode due to sol formation caused by the extensive swelling of, in particular, Na-montmorillonite in water of low ionic strength. Presence of calcium in the interlayer has been shown to promote gel formation even in electrolytes with ionic strengths in the vicinity of those in glacial melt waters. In order to estimate the amount of calcium in the clay at the onset of glaciation one needs information of the selectivity coefficient for Ca/Na exchange. Hitherto, most experimental data for evaluating the Gaines-Thomas selectivity coefficient, K GT have been obtained in batch experiments, i.e. at high water-to-solid ratios. The conditions in highly compacted bentonite are, however, radically different in many respects, e.g. the interlayer space is on the nanometre scale and the concentration of counterions is in molar range. Therefore we would like to theoretically investigate the transferability of the selectivity coefficients, determined in batch experiments, to compacted conditions. We solve the Poisson-Boltzmann (PB) equation for two parallel charged surfaces in equilibrium with an external NaCl/CaCl 2 mixed solution. Integration of the ion concentration profiles obtained from the PB equation gives the occupancy of Na + and Ca 2+ in the clay. That information together with the composition of the external electrolyte is all that is needed for the calculation of K GT . With a surface layer-charge density of one charge per 145 A 2 , which is close to the value for Wyoming montmorillonite, we find a variation of the selectivity coefficient from about 4 M in batch to 8 M for compacted montmorillonite with dry density 1700 kg/m 3 . The significance as well as the physics behind these results will be presented in detail. The predictions, based on the PB theory, will

  16. Incorporating forcing terms in cascaded lattice Boltzmann approach by method of central moments.

    Science.gov (United States)

    Premnath, Kannan N; Banerjee, Sanjoy

    2009-09-01

    Cascaded lattice Boltzmann method (cascaded-LBM) employs a class of collision operators aiming to stabilize computations and remove certain modeling artifacts for simulation of fluid flow on lattice grids with sizes arbitrarily larger than the smallest physical dissipation length scale [Geier, Phys. Rev. E 63, 066705 (2006)]. It achieves this and distinguishes from other collision operators, such as in the standard single or multiple relaxation-time approaches, by performing relaxation process due to collisions in terms of moments shifted by the local hydrodynamic fluid velocity, i.e., central moments, in an ascending order by order at different relaxation rates. In this paper, we propose and derive source terms in the cascaded-LBM to represent the effect of external or internal forces on the dynamics of fluid motion. This is essentially achieved by matching the continuous form of the central moments of the source or forcing terms with its discrete version. Different forms of continuous central moments of sources, including one that is obtained from a local Maxwellian, are considered in this regard. As a result, the forcing terms obtained in this formulation are Galilean invariant by construction. To alleviate lattice artifacts due to forcing terms in the emergent macroscopic fluid equations, they are proposed as temporally semi-implicit and second order, and the implicitness is subsequently effectively removed by means of a transformation to facilitate computation. It is shown that the impressed force field influences the cascaded collision process in the evolution of the transformed distribution function. The method of central moments along with the associated orthogonal properties of the moment basis completely determines the analytical expressions for the source terms as a function of the force and macroscopic velocity fields. In contrast to the existing forcing schemes, it is found that they involve higher-order terms in velocity space. It is shown that the

  17. Peristaltic particle transport using the Lattice Boltzmann method

    Energy Technology Data Exchange (ETDEWEB)

    Connington, Kevin William [Los Alamos National Laboratory; Kang, Qinjun [Los Alamos National Laboratory; Viswanathan, Hari S [Los Alamos National Laboratory; Abdel-fattah, Amr [Los Alamos National Laboratory; Chen, Shiyi [JOHNS HOPKINS UNIV.

    2009-01-01

    Peristaltic transport refers to a class of internal fluid flows where the periodic deformation of flexible containing walls elicits a non-negligible fluid motion. It is a mechanism used to transport fluid and immersed solid particles in a tube or channel when it is ineffective or impossible to impose a favorable pressure gradient or desirous to avoid contact between the transported mixture and mechanical moving parts. Peristaltic transport occurs in many physiological situations and has myriad industrial applications. We focus our study on the peristaltic transport of a macroscopic particle in a two-dimensional channel using the lattice Boltzmann method. We systematically investigate the effect of variation of the relevant dimensionless parameters of the system on the particle transport. We find, among other results, a case where an increase in Reynolds number can actually lead to a slight increase in particle transport, and a case where, as the wall deformation increases, the motion of the particle becomes non-negative only. We examine the particle behavior when the system exhibits the peculiar phenomenon of fluid trapping. Under these circumstances, the particle may itself become trapped where it is subsequently transported at the wave speed, which is the maximum possible transport in the absence of a favorable pressure gradient. Finally, we analyze how the particle presence affects stress, pressure, and dissipation in the fluid in hopes of determining preferred working conditions for peristaltic transport of shear-sensitive particles. We find that the levels of shear stress are most hazardous near the throat of the channel. We advise that shear-sensitive particles should be transported under conditions where trapping occurs as the particle is typically situated in a region of innocuous shear stress levels.

  18. Polar-coordinate lattice Boltzmann modeling of compressible flows

    Science.gov (United States)

    Lin, Chuandong; Xu, Aiguo; Zhang, Guangcai; Li, Yingjun; Succi, Sauro

    2014-01-01

    We present a polar coordinate lattice Boltzmann kinetic model for compressible flows. A method to recover the continuum distribution function from the discrete distribution function is indicated. Within the model, a hybrid scheme being similar to, but different from, the operator splitting is proposed. The temporal evolution is calculated analytically, and the convection term is solved via a modified Warming-Beam (MWB) scheme. Within the MWB scheme a suitable switch function is introduced. The current model works not only for subsonic flows but also for supersonic flows. It is validated and verified via the following well-known benchmark tests: (i) the rotational flow, (ii) the stable shock tube problem, (iii) the Richtmyer-Meshkov (RM) instability, and (iv) the Kelvin-Helmholtz instability. As an original application, we studied the nonequilibrium characteristics of the system around three kinds of interfaces, the shock wave, the rarefaction wave, and the material interface, for two specific cases. In one of the two cases, the material interface is initially perturbed, and consequently the RM instability occurs. It is found that the macroscopic effects due to deviating from thermodynamic equilibrium around the material interface differ significantly from those around the mechanical interfaces. The initial perturbation at the material interface enhances the coupling of molecular motions in different degrees of freedom. The amplitude of deviation from thermodynamic equilibrium around the shock wave is much higher than those around the rarefaction wave and material interface. By comparing each component of the high-order moments and its value in equilibrium, we can draw qualitatively the main behavior of the actual distribution function. These results deepen our understanding of the mechanical and material interfaces from a more fundamental level, which is indicative for constructing macroscopic models and other kinds of kinetic models.

  19. Implementing the lattice Boltzmann model on commodity graphics hardware

    International Nuclear Information System (INIS)

    Kaufman, Arie; Fan, Zhe; Petkov, Kaloian

    2009-01-01

    Modern graphics processing units (GPUs) can perform general-purpose computations in addition to the native specialized graphics operations. Due to the highly parallel nature of graphics processing, the GPU has evolved into a many-core coprocessor that supports high data parallelism. Its performance has been growing at a rate of squared Moore's law, and its peak floating point performance exceeds that of the CPU by an order of magnitude. Therefore, it is a viable platform for time-sensitive and computationally intensive applications. The lattice Boltzmann model (LBM) computations are carried out via linear operations at discrete lattice sites, which can be implemented efficiently using a GPU-based architecture. Our simulations produce results comparable to the CPU version while improving performance by an order of magnitude. We have demonstrated that the GPU is well suited for interactive simulations in many applications, including simulating fire, smoke, lightweight objects in wind, jellyfish swimming in water, and heat shimmering and mirage (using the hybrid thermal LBM). We further advocate the use of a GPU cluster for large scale LBM simulations and for high performance computing. The Stony Brook Visual Computing Cluster has been the platform for several applications, including simulations of real-time plume dispersion in complex urban environments and thermal fluid dynamics in a pressurized water reactor. Major GPU vendors have been targeting the high performance computing market with GPU hardware implementations. Software toolkits such as NVIDIA CUDA provide a convenient development platform that abstracts the GPU and allows access to its underlying stream computing architecture. However, software programming for a GPU cluster remains a challenging task. We have therefore developed the Zippy framework to simplify GPU cluster programming. Zippy is based on global arrays combined with the stream programming model and it hides the low-level details of the

  20. Fractional Bhatnagar-Gross-Krook kinetic equation

    Science.gov (United States)

    Goychuk, Igor

    2017-11-01

    The linear Boltzmann equation (LBE) approach is generalized to describe fractional superdiffusive transport of the Lévy walk type in external force fields. The time distribution between scattering events is assumed to have a finite mean value and infinite variance. It is completely characterized by the two scattering rates, one fractional and a normal one, which defines also the mean scattering rate. We formulate a general fractional LBE approach and exemplify it with a particularly simple case of the Bohm and Gross scattering integral leading to a fractional generalization of the Bhatnagar, Gross and Krook (BGK) kinetic equation. Here, at each scattering event the particle velocity is completely randomized and takes a value from equilibrium Maxwell distribution at a given fixed temperature. We show that the retardation effects are indispensable even in the limit of infinite mean scattering rate and argue that this novel fractional kinetic equation provides a viable alternative to the fractional Kramers-Fokker-Planck (KFP) equation by Barkai and Silbey and its generalization by Friedrich et al. based on the picture of divergent mean time between scattering events. The case of divergent mean time is also discussed at length and compared with the earlier results obtained within the fractional KFP. Also a phenomenological fractional BGK equation without retardation effects is proposed in the limit of infinite scattering rates. It cannot be, however, rigorously derived from a scattering model, being rather clever postulated. It this respect, this retardationless equation is similar to the fractional KFP by Barkai and Silbey. However, it corresponds to the opposite, much more physical limit and, therefore, also presents a viable alternative.

  1. Atoms, mechanics, and probability Ludwig Boltzmann's statistico-mechanical writings : an exegesis

    CERN Document Server

    Darrigol, Olivier

    2018-01-01

    One of the pillars of modern science, statistical mechanics, owes much to one man, the Austrian physicist Ludwig Boltzmann (1844-1906). As a result of his unusual working and writing styles, his enormous contribution remains little read and poorly understood. The purpose of this book is to make the Boltzmann corpus more accessible to physicists, philosophers, and historians, and so give it new life. The means are introductory biographical and historical materials, detailed and lucid summaries of every relevant publication, and a final chapter of critical synthesis. Special attention is given to Boltzmann's theoretical tool-box and to his patient construction of lofty formal systems even before their full conceptual import could be known. This constructive tendency largely accounts for his lengthy style, for the abundance of new constructions, for the relative vagueness of their object--and for the puzzlement of commentators. This book will help the reader cross the stylistic barrier and see how ingeniously B...

  2. Lattice Boltzmann implementation of the three-dimensional Ben-Naim potential for water-like fluids.

    Science.gov (United States)

    Moradi, Nasrollah; Greiner, Andreas; Rao, Francesco; Succi, Sauro

    2013-03-28

    We develop a three-dimensional lattice Boltzmann (LB) model accounting for directional interactions between water-like molecules, based on the so-called Ben-Naim (BN) potential [A. Ben-Naim, Molecular Theory of Water and Aqueous Solutions: Part I: Understanding Water (World Scientific Publishing Company, 2010); "Statistical mechanics of 'waterlike' particles in two dimensions. I. Physical model and application of the Percus-Yevick equation," J. Chem. Phys. 54, 3682 (1971)]. The water-like molecules are represented by rigid tetrahedra, with two donors and two acceptors at the corners and interacting with neighboring tetrahedra, sitting on the nodes of a regular lattice. The tetrahedra are free to rotate about their centers under the drive of the torque arising from the interparticle potential. The orientations of the water molecules are evolved in time via an overdamped Langevin dynamics for the torque, which is solved by means of a quaternion technique. The resulting advection-diffusion-reaction equation for the quaternion components is solved by a LB method, acting as a dynamic minimizer for the global energy of the fluid. By adding thermal fluctuations to the torque equation, the model is shown to reproduce some microscopic features of real water, such as an average number of hydrogen bonds per molecules (HBs) between 3 and 4, in a qualitative agreement with microscopic water models. Albeit slower than a standard LB solver for ordinary fluids, the present scheme opens up potentially far-reaching scenarios for multiscale applications based on a coarse-grained representation of the water solvent.

  3. Extended rate equations

    International Nuclear Information System (INIS)

    Shore, B.W.

    1981-01-01

    The equations of motion are discussed which describe time dependent population flows in an N-level system, reviewing the relationship between incoherent (rate) equations, coherent (Schrodinger) equations, and more general partially coherent (Bloch) equations. Approximations are discussed which replace the elaborate Bloch equations by simpler rate equations whose coefficients incorporate long-time consequences of coherence

  4. Two experiments to approach the Boltzmann factor: chemical reaction and viscous flow

    International Nuclear Information System (INIS)

    Fazio, Claudio; Battaglia, Onofrio R; Guastella, Ivan

    2012-01-01

    In this paper we discuss a pedagogical approach aimed at pointing out the role played by the Boltzmann factor in describing phenomena usually perceived as regulated by different mechanisms of functioning. Experimental results regarding some aspects of a chemical reaction and of the viscous flow of some liquids are analysed and described in terms of macroscopic variables whose temperature dependence is proportional to the Boltzmann factor. A description of a workshop implementing the approach in the framework of an undergraduate course for engineering education and some preliminary results about its pedagogical relevance are then reported. (paper)

  5. Contributions to the spectral theory of the linear Boltzmann operator for various geometries

    International Nuclear Information System (INIS)

    Protopopescu, V.

    1975-01-01

    The linear monoenergetic Boltzmann operator with isotropic scattering is studied for various geometries and boundary conditions as the infinitesimal generator of a positivity preserving contractive semigroup in an appropriate Hilbert space. General results about the existence and the uniqueness of the solutions of the corresponding evolution problems are reviewed. The spectrum of the Boltzmann operator is analyzed for semi-infinite, slab and parallelepipedic geometries with vacuum, periodic, perfectly reflecting, generalized and diffusely reflecting boundary condition respectively. The main features of these spectra, their importance for determining the asymptotic evolution and possible generalizations to more realistic models are put together in a final section. (author)

  6. Boltzmann and Einstein: Statistics and dynamics – An unsolved ...

    Indian Academy of Sciences (India)

    mechanical meaning of the second law of the theory of heat [1] in which he claimed to prove the second law of thermodynamics purely from dynamics, i.e., the second law was just a consequence of Newton's equations of motion. At that time he was not even aware of the necessity of introducing probability concepts in order ...

  7. Extended Thermodynamics: a Theory of Symmetric Hyperbolic Field Equations

    Science.gov (United States)

    Müller, Ingo

    2008-12-01

    Extended thermodynamics is based on a set of equations of balance which are supplemented by local and instantaneous constitutive equations so that the field equations are quasi-linear first order differential equations. If the constitutive functions are subject to the requirements of the entropy principle, one may write them in symmetric hyperbolic form by a suitable choice of fields. The kinetic theory of gases, or the moment theories based on the Boltzmann equation provide an explicit example for extended thermodynamics. The theory proves its usefulness and practicality in the successful treatment of light scattering in rarefied gases. This presentation is based upon the book [1] of which the author of this paper is a co-author. For more details about the motivation and exploitation of the basic principles the interested reader is referred to that reference. It would seem that extended thermodynamics is worthy of the attention of mathematicians. It may offer them a non-trivial field of study concerning hyperbolic equations, if ever they get tired of the Burgers equation. Physicists may prefer to appreciate the success of extended thermodynamics in light scattering and to work on the open problems concerning the modification of the Navier-Stokes-Fourier theory in rarefied gases as predicted by extended thermodynamics of 13, 14, and more moments.

  8. Simulation of dissolution in porous media in three dimensions with lattice Boltzmann, finite-volume, and surface-rescaling methods

    Science.gov (United States)

    Gray, F.; Cen, J.; Boek, E. S.

    2016-10-01

    We present a pore-scale dissolution model for the simulation of reactive transport in complex porous media such as those encountered in carbon-storage injection processes. We couple a lattice Boltzmann model for flow calculation with a finite-volume method for solving chemical transport equations, and allow the computational grid to change as mineral surfaces are dissolved according to first-order reaction kinetics. We appraise this scheme for use with high Péclet number flows in three-dimensional geometries and show how the popular first-order convection scheme is affected by severe numerical diffusion when grid Péclet numbers exceed unity, and confirm that this can be overcome relatively easily by using a second-order method in conjunction with a flux-limiter function. We then propose a surface rescaling method which uses parabolic elements to counteract errors in surface area exposed by the Cartesian grid and avoid the use of more complex embedded surface methods when surface reaction kinetics are incorporated. Finally, we compute dissolution in an image of a real porous limestone rock sample injected with HCl for different Péclet numbers and obtain dissolution patterns in concordance with theory and experimental observation. A low injection flow rate was shown to lead to erosion of the pore space concentrated at the face of the rock, whereas a high flow rate leads to wormhole formation.

  9. Simulation of Sound Waves Using the Lattice Boltzmann Method for Fluid Flow: Benchmark Cases for Outdoor Sound Propagation.

    Science.gov (United States)

    Salomons, Erik M; Lohman, Walter J A; Zhou, Han

    2016-01-01

    Propagation of sound waves in air can be considered as a special case of fluid dynamics. Consequently, the lattice Boltzmann method (LBM) for fluid flow can be used for simulating sound propagation. In this article application of the LBM to sound propagation is illustrated for various cases: free-field propagation, propagation over porous and non-porous ground, propagation over a noise barrier, and propagation in an atmosphere with wind. LBM results are compared with solutions of the equations of acoustics. It is found that the LBM works well for sound waves, but dissipation of sound waves with the LBM is generally much larger than real dissipation of sound waves in air. To circumvent this problem it is proposed here to use the LBM for assessing the excess sound level, i.e. the difference between the sound level and the free-field sound level. The effect of dissipation on the excess sound level is much smaller than the effect on the sound level, so the LBM can be used to estimate the excess sound level for a non-dissipative atmosphere, which is a useful quantity in atmospheric acoustics. To reduce dissipation in an LBM simulation two approaches are considered: i) reduction of the kinematic viscosity and ii) reduction of the lattice spacing.

  10. Nano-particle drag prediction at low Reynolds number using a direct Boltzmann-BGK solution approach

    Science.gov (United States)

    Evans, B.

    2018-01-01

    This paper outlines a novel approach for solution of the Boltzmann-BGK equation describing molecular gas dynamics applied to the challenging problem of drag prediction of a 2D circular nano-particle at transitional Knudsen number (0.0214) and low Reynolds number (0.25-2.0). The numerical scheme utilises a discontinuous-Galerkin finite element discretisation for the physical space representing the problem particle geometry and a high order discretisation for molecular velocity space describing the molecular distribution function. The paper shows that this method produces drag predictions that are aligned well with the range of drag predictions for this problem generated from the alternative numerical approaches of molecular dynamics codes and a modified continuum scheme. It also demonstrates the sensitivity of flow-field solutions and therefore drag predictions to the wall absorption parameter used to construct the solid wall boundary condition used in the solver algorithm. The results from this work has applications in fields ranging from diagnostics and therapeutics in medicine to the fields of semiconductors and xerographics.

  11. A Lattice Boltzmann Approach to Multi-Phase Surface Reactions with Heat Effects

    NARCIS (Netherlands)

    Kamali, M.R.

    2013-01-01

    The aim of the present research was to explore the promises and shift the limits of the numerical framework of lattice Boltzmann (LB) for studying the physics behind multi-component two-phase heterogeneous non-isothermal reactive flows under industrial conditions. An example of such an industrially

  12. Lattice Boltzmann based multicomponent reactive transport model coupled with geochemical solver for scale simulations

    NARCIS (Netherlands)

    Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.

    2013-01-01

    A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the

  13. Multiphase Simulated Annealing Based on Boltzmann and Bose-Einstein Distribution Applied to Protein Folding Problem.

    Science.gov (United States)

    Frausto-Solis, Juan; Liñán-García, Ernesto; Sánchez-Hernández, Juan Paulo; González-Barbosa, J Javier; González-Flores, Carlos; Castilla-Valdez, Guadalupe

    2016-01-01

    A new hybrid Multiphase Simulated Annealing Algorithm using Boltzmann and Bose-Einstein distributions (MPSABBE) is proposed. MPSABBE was designed for solving the Protein Folding Problem (PFP) instances. This new approach has four phases: (i) Multiquenching Phase (MQP), (ii) Boltzmann Annealing Phase (BAP), (iii) Bose-Einstein Annealing Phase (BEAP), and (iv) Dynamical Equilibrium Phase (DEP). BAP and BEAP are simulated annealing searching procedures based on Boltzmann and Bose-Einstein distributions, respectively. DEP is also a simulated annealing search procedure, which is applied at the final temperature of the fourth phase, which can be seen as a second Bose-Einstein phase. MQP is a search process that ranges from extremely high to high temperatures, applying a very fast cooling process, and is not very restrictive to accept new solutions. However, BAP and BEAP range from high to low and from low to very low temperatures, respectively. They are more restrictive for accepting new solutions. DEP uses a particular heuristic to detect the stochastic equilibrium by applying a least squares method during its execution. MPSABBE parameters are tuned with an analytical method, which considers the maximal and minimal deterioration of problem instances. MPSABBE was tested with several instances of PFP, showing that the use of both distributions is better than using only the Boltzmann distribution on the classical SA.

  14. Second order bounce back boundary condition for the lattice Boltzmann fluid simulation

    International Nuclear Information System (INIS)

    Kim, In Chan

    2000-01-01

    A new bounce back boundary method of the second order in error is proposed for the lattice Boltzmann fluid simulation. This new method can be used for the arbitrarily irregular lattice geometry of a non-slip boundary. The traditional bounce back boundary condition for the lattice Boltzmann simulation is of the first order in error. Since the lattice Boltzmann method is the second order scheme by itself, a boundary technique of the second order has been desired to replace the first order bounce back method. This study shows that, contrary to the common belief that the bounce back boundary condition is unilaterally of the first order, the second order bounce back boundary condition can be realized. This study also shows that there exists a generalized bounce back technique that can be characterized by a single interpolation parameter. The second order bounce back method can be obtained by proper selection of this parameter in accordance with the detailed lattice geometry of the boundary. For an illustrative purpose, the transient Couette and the plane Poiseuille flows are solved by the lattice Boltzmann simulation with various boundary conditions. The results show that the generalized bounce back method yields the second order behavior in the error of the solution, provided that the interpolation parameter is properly selected. Coupled with its intuitive nature and the ease of implementation, the bounce back method can be as good as any second order boundary method

  15. Models, Their Application, and Scientific Anticipation: Ludwig Boltzmann's Work as Tacit Knowing

    Science.gov (United States)

    Schmitt, Richard Henry

    2011-01-01

    Ludwig Boltzmann's work in theoretical physics exhibits an approach to the construction of theory that he transmitted to the succeeding generation by example. It involved the construction of clear models, allowed more than one, and was not based solely on the existing facts, with the intent of examining and criticizing the assumptions that made…

  16. Pseudopotential multi-relaxation-time lattice Boltzmann model for cavitation bubble collapse with high density ratio

    International Nuclear Information System (INIS)

    Shan Ming-Lei; Zhu Chang-Ping; Yao Cheng; Yin Cheng; Jiang Xiao-Yan

    2016-01-01

    The dynamics of the cavitation bubble collapse is a fundamental issue for the bubble collapse application and prevention. In the present work, the modified forcing scheme for the pseudopotential multi-relaxation-time lattice Boltzmann model developed by Li Q et al. [Li Q, Luo K H and Li X J 2013 Phys. Rev. E 87 053301] is adopted to develop a cavitation bubble collapse model. In the respects of coexistence curves and Laplace law verification, the improved pseudopotential multi-relaxation-time lattice Boltzmann model is investigated. It is found that the thermodynamic consistency and surface tension are independent of kinematic viscosity. By homogeneous and heterogeneous cavitation simulation, the ability of the present model to describe the cavitation bubble development as well as the cavitation inception is verified. The bubble collapse between two parallel walls is simulated. The dynamic process of a collapsing bubble is consistent with the results from experiments and simulations by other numerical methods. It is demonstrated that the present pseudopotential multi-relaxation-time lattice Boltzmann model is applicable and efficient, and the lattice Boltzmann method is an alternative tool for collapsing bubble modeling. (paper)

  17. Multiphase Simulated Annealing Based on Boltzmann and Bose-Einstein Distribution Applied to Protein Folding Problem

    Directory of Open Access Journals (Sweden)

    Juan Frausto-Solis

    2016-01-01

    Full Text Available A new hybrid Multiphase Simulated Annealing Algorithm using Boltzmann and Bose-Einstein distributions (MPSABBE is proposed. MPSABBE was designed for solving the Protein Folding Problem (PFP instances. This new approach has four phases: (i Multiquenching Phase (MQP, (ii Boltzmann Annealing Phase (BAP, (iii Bose-Einstein Annealing Phase (BEAP, and (iv Dynamical Equilibrium Phase (DEP. BAP and BEAP are simulated annealing searching procedures based on Boltzmann and Bose-Einstein distributions, respectively. DEP is also a simulated annealing search procedure, which is applied at the final temperature of the fourth phase, which can be seen as a second Bose-Einstein phase. MQP is a search process that ranges from extremely high to high temperatures, applying a very fast cooling process, and is not very restrictive to accept new solutions. However, BAP and BEAP range from high to low and from low to very low temperatures, respectively. They are more restrictive for accepting new solutions. DEP uses a particular heuristic to detect the stochastic equilibrium by applying a least squares method during its execution. MPSABBE parameters are tuned with an analytical method, which considers the maximal and minimal deterioration of problem instances. MPSABBE was tested with several instances of PFP, showing that the use of both distributions is better than using only the Boltzmann distribution on the classical SA.

  18. Two Experiments to Approach the Boltzmann Factor: Chemical Reaction and Viscous Flow

    Science.gov (United States)

    Fazio, Claudio; Battaglia, Onofrio R.; Guastella, Ivan

    2012-01-01

    In this paper we discuss a pedagogical approach aimed at pointing out the role played by the Boltzmann factor in describing phenomena usually perceived as regulated by different mechanisms of functioning. Experimental results regarding some aspects of a chemical reaction and of the viscous flow of some liquids are analysed and described in terms…

  19. Characterization and visualization of RNA secondary structure Boltzmann ensemble via information theory.

    Science.gov (United States)

    Lin, Luan; McKerrow, Wilson H; Richards, Bryce; Phonsom, Chukiat; Lawrence, Charles E

    2018-03-05

    The nearest neighbor model and associated dynamic programming algorithms allow for the efficient estimation of the RNA secondary structure Boltzmann ensemble. However because a given RNA secondary structure only contains a fraction of the possible helices that could form from a given sequence, the Boltzmann ensemble is multimodal. Several methods exist for clustering structures and finding those modes. However less focus is given to exploring the underlying reasons for this multimodality: the presence of conflicting basepairs. Information theory, or more specifically mutual information, provides a method to identify those basepairs that are key to the secondary structure. To this end we find most informative basepairs and visualize the effect of these basepairs on the secondary structure. Knowing whether a most informative basepair is present tells us not only the status of the particular pair but also provides a large amount of information about which other pairs are present or not present. We find that a few basepairs account for a large amount of the structural uncertainty. The identification of these pairs indicates small changes to sequence or stability that will have a large effect on structure. We provide a novel algorithm that uses mutual information to identify the key basepairs that lead to a multimodal Boltzmann distribution. We then visualize the effect of these pairs on the overall Boltzmann ensemble.

  20. Combining Generative and Discriminative Representation Learning for Lung CT Analysis With Convolutional Restricted Boltzmann Machines

    NARCIS (Netherlands)

    G. van Tulder (Gijs); M. de Bruijne (Marleen)

    2016-01-01

    textabstractThe choice of features greatly influences the performance of a tissue classification system. Despite this, many systems are built with standard, predefined filter banks that are not optimized for that particular application. Representation learning methods such as restricted Boltzmann

  1. Learning Algorithm of Boltzmann Machine Based on Spatial Monte Carlo Integration Method

    Directory of Open Access Journals (Sweden)

    Muneki Yasuda

    2018-04-01

    Full Text Available The machine learning techniques for Markov random fields are fundamental in various fields involving pattern recognition, image processing, sparse modeling, and earth science, and a Boltzmann machine is one of the most important models in Markov random fields. However, the inference and learning problems in the Boltzmann machine are NP-hard. The investigation of an effective learning algorithm for the Boltzmann machine is one of the most important challenges in the field of statistical machine learning. In this paper, we study Boltzmann machine learning based on the (first-order spatial Monte Carlo integration method, referred to as the 1-SMCI learning method, which was proposed in the author’s previous paper. In the first part of this paper, we compare the method with the maximum pseudo-likelihood estimation (MPLE method using a theoretical and a numerical approaches, and show the 1-SMCI learning method is more effective than the MPLE. In the latter part, we compare the 1-SMCI learning method with other effective methods, ratio matching and minimum probability flow, using a numerical experiment, and show the 1-SMCI learning method outperforms them.

  2. Free surface entropic lattice Boltzmann simulations of film condensation on vertical hydrophilic plates

    DEFF Research Database (Denmark)

    Hygum, Morten Arnfeldt; Karlin, Iliya; Popok, Vladimir

    2015-01-01

    A model for vapor condensation on vertical hydrophilic surfaces is developed using the entropic lattice Boltzmann method extended with a free surface formulation of the evaporation–condensation problem. The model is validated with the steady liquid film formation on a flat vertical wall. It is sh...

  3. Partial Differential Equations

    CERN Document Server

    1988-01-01

    The volume contains a selection of papers presented at the 7th Symposium on differential geometry and differential equations (DD7) held at the Nankai Institute of Mathematics, Tianjin, China, in 1986. Most of the contributions are original research papers on topics including elliptic equations, hyperbolic equations, evolution equations, non-linear equations from differential geometry and mechanics, micro-local analysis.

  4. An Implementation of Hydrostatic Boundary Conditions for Variable Density Lattice Boltzmann Methods

    Science.gov (United States)

    Bardsley, K. J.; Thorne, D. T.; Lee, J. S.; Sukop, M. C.

    2006-12-01

    Lattice Boltzmann Methods (LBMs) have been under development for the last two decades and have become another capable numerical method for simulating fluid flow. Recent advances in lattice Boltzmann applications involve simulation of density-dependent fluid flow in closed (Dixit and Babu, 2006; D'Orazio et al., 2004) or periodic (Guo and Zhao, 2005) domains. However, standard pressure boundary conditions (BCs) are incompatible with concentration-dependent density flow simulations that use a body force for gravity. An implementation of hydrostatic BCs for use under these conditions is proposed here. The basis of this new implementation is an additional term in the pressure BC. It is derived to account for the incorporation of gravity as a body force and the effect of varying concentration in the fluid. The hydrostatic BC expands the potential of density-dependent LBM to simulate domains with boundaries other than the closed or periodic boundaries that have appeared in previous literature on LBM simulations. With this new implementation, LBM will be able to simulate complex concentration-dependent density flows, such as salt water intrusion in the classic Henry and Henry-Hilleke problems. This is demonstrated using various examples, beginning with a closed box system, and ending with a system containing two solid walls, one velocity boundary and one pressure boundary, as in the Henry problem. References Dixit, H. N., V. Babu, (2006), Simulation of high Rayleigh number natural convection in a square cavity using the lattice Boltzmann method, Int. J. Heat Mass Transfer, 49, 727-739. D'Orazio, A., M. Corcione, G.P. Celata, (2004), Application to natural convection enclosed flows of a lattice Boltzmann BGK model coupled with a general purpose thermal boundary conditions, Int. J. Thermal Sci., 43, 575-586. Gou, Z., T.S. Zhao, (2005), Lattice Boltzmann simulation of natural convection with temperature-dependant viscosity in a porous cavity, Numerical Heat Transfer, Part B

  5. Comparative study of the discrete velocity and lattice Boltzmann methods for rarefied gas flows through irregular channels.

    Science.gov (United States)

    Su, Wei; Lindsay, Scott; Liu, Haihu; Wu, Lei

    2017-08-01

    Rooted from the gas kinetics, the lattice Boltzmann method (LBM) is a powerful tool in modeling hydrodynamics. In the past decade, it has been extended to simulate rarefied gas flows beyond the Navier-Stokes level, either by using the high-order Gauss-Hermite quadrature, or by introducing the relaxation time that is a function of the gas-wall distance. While the former method, with a limited number of discrete velocities (e.g., D2Q36), is accurate up to the early transition flow regime, the latter method (especially the multiple relaxation time (MRT) LBM), with the same discrete velocities as those used in simulating hydrodynamics (i.e., D2Q9), is accurate up to the free-molecular flow regime in the planar Poiseuille flow. This is quite astonishing in the sense that less discrete velocities are more accurate. In this paper, by solving the Bhatnagar-Gross-Krook kinetic equation accurately via the discrete velocity method, we find that the high-order Gauss-Hermite quadrature cannot describe the large variation in the velocity distribution function when the rarefaction effect is strong, but the MRT-LBM can capture the flow velocity well because it is equivalent to solving the Navier-Stokes equations with an effective shear viscosity. Since the MRT-LBM has only been validated in simple channel flows, and for complex geometries it is difficult to find the effective viscosity, it is necessary to assess its performance for the simulation of rarefied gas flows. Our numerical simulations based on the accurate discrete velocity method suggest that the accuracy of the MRT-LBM is reduced significantly in the simulation of rarefied gas flows through the rough surface and porous media. Our simulation results could serve as benchmarking cases for future development of the LBM for modeling and simulation of rarefied gas flows in complex geometries.

  6. Effects of viscoelasticity on droplet dynamics and break-up in microfluidic T-Junctions: a lattice Boltzmann study.

    Science.gov (United States)

    Gupta, Anupam; Sbragaglia, Mauro

    2016-01-01

    The effects of viscoelasticity on the dynamics and break-up of fluid threads in microfluidic T-junctions are investigated using numerical simulations of dilute polymer solutions at changing the Capillary number (Ca), i.e. at changing the balance between the viscous forces and the surface tension at the interface, up to Ca ≈ 3×10(-2). A Navier-Stokes (NS) description of the solvent based on the lattice Boltzmann models (LBM) is here coupled to constitutive equations for finite extensible non-linear elastic dumbbells with the closure proposed by Peterlin (FENE-P model). We present the results of three-dimensional simulations in a range of Ca which is broad enough to characterize all the three characteristic mechanisms of break-up in the confined T-junction, i.e. squeezing, dripping and jetting regimes. The various model parameters of the FENE-P constitutive equations, including the polymer relaxation time τP and the finite extensibility parameter L2, are changed to provide quantitative details on how the dynamics and break-up properties are affected by viscoelasticity. We will analyze cases with Droplet Viscoelasticity (DV), where viscoelastic properties are confined in the dispersed (d) phase, as well as cases with Matrix Viscoelasticity (MV), where viscoelastic properties are confined in the continuous (c) phase. Moderate flow-rate ratios Q ≈ O(1) of the two phases are considered in the present study. Overall, we find that the effects are more pronounced in the case with MV, as the flow driving the break-up process upstream of the emerging thread can be sensibly perturbed by the polymer stresses.

  7. Diffusion equations and hard collisions in multiple scattering of charged particles

    International Nuclear Information System (INIS)

    Papiez, Lech; Tulovsky, Vladimir

    1998-01-01

    The processes of angular-spatial evolution of multiple scattering of charged particles are described by the Lewis (special case of Boltzmann) integro-differential equation. The underlying stochastic process for this evolution is the compound Poisson process with transition densities satisfying the Lewis equation. In this paper we derive the Lewis equation from the compound Poisson process and show that the effective method of the solution of this equation can be based on the idea of decomposition of the compound Poisson process into processes of soft and hard collisions. Formulas for transition densities of soft and hard collision processes are provided in this paper together with the formula expressing the general solution of the Lewis equation in terms of those transition densities

  8. Equivalent formulations of “the equation of life”

    International Nuclear Information System (INIS)

    Ao Ping

    2014-01-01

    Motivated by progress in theoretical biology a recent proposal on a general and quantitative dynamical framework for nonequilibrium processes and dynamics of complex systems is briefly reviewed. It is nothing but the evolutionary process discovered by Charles Darwin and Alfred Wallace. Such general and structured dynamics may be tentatively named “the equation of life”. Three equivalent formulations are discussed, and it is also pointed out that such a quantitative dynamical framework leads naturally to the powerful Boltzmann-Gibbs distribution and the second law in physics. In this way, the equation of life provides a logically consistent foundation for thermodynamics. This view clarifies a particular outstanding problem and further suggests a unifying principle for physics and biology. (topical review - statistical physics and complex systems)

  9. Heat Transfer in a Gas Mixture Between Two Parallel Plates: Finite-difference Analysis of the Boltzmann Equation

    National Research Council Canada - National Science Library

    Kosuge, Shingo

    2000-01-01

    The problem of heat transfer and temperature distribution in a binary mixture of rarefied gases between two parallel plates with different temperatures is investigated on the basis of kinetic theory...

  10. Aplications of the Poisson-Boltzmann equation to the calculation of pH-dependent properties in proteins

    OpenAIRE

    Soares, Thereza A.; Ferreira, Ricardo

    2004-01-01

    The ability of biomolecules to catalyze chemical reactions is due chiefly to their sensitivity to variations of the pH in the surrounding environment. The reason for this is that they are made up of chemical groups whose ionization states are modulated by pH changes that are of the order of 0.4 units. The determination of the protonation states of such chemical groups as a function of conformation of the biomolecule and the pH of the environment can be useful in the elucidation of important b...

  11. Numerical analysis of interfacial growth and deformation in horizontal stratified two-phase flow by lattice Boltzmann method

    International Nuclear Information System (INIS)

    Ebihara, Ken-ichi

    2005-03-01

    Two-phase flow is one of the important phenomena in nuclear reactors and heat exchangers at nuclear plants. It is desired for the optimum design and safe operation of such equipment to understand and predict the two-phase flow phenomenon by numerical analysis. In the present, the two-fluid model is widely used for the numerical analysis of two-phase flow. The numerical analysis method using the two-fluid model solves macroscopic hydrodynamic equations, in which fluid is regarded as continuum, with the boundary conditions at the wall, the inlet and outlet, and the interface between two phases. Since the interfacial and the wall boundary conditions utilized by this method are given as the model, such as the flow regime map and correlation, which is usually constructed on the basis of experimental results, the accuracy of the two-phase flow analysis using the two-fluid model depends on that of the utilized model or the experiment result for modeling. Tremendous progress of the computer performance and the development of new computational methods make the numerical simulation of two-phase flow with the interfacial motion possible in resent years. In such circumstances, the lattice-gas method and the lattice Boltzmann method, which represent fluid by many particles or the particle distribution function on the spatial lattice, was proposed in 1990s and these methods are applied to the numerical simulation of two-phase flow. The main feature of the two-phase fluid model of those methods is the capability of the simulation of two-phase flow without the procedure for tracking the interfacial position and shape owing to the inlet-particle potential generating the interface. Therefore it is expected that the lattice-gas method and the lattice Boltzmann method possess the predictability of the experiment by the numerical analysis of two-phase flow as well as the possibility of giving the substitute of the flow regime map and the correlation used by the two-fluid model. In this

  12. Difference equations by differential equation methods

    CERN Document Server

    Hydon, Peter E

    2014-01-01

    Most well-known solution techniques for differential equations exploit symmetry in some form. Systematic methods have been developed for finding and using symmetries, first integrals and conservation laws of a given differential equation. Here the author explains how to extend these powerful methods to difference equations, greatly increasing the range of solvable problems. Beginning with an introduction to elementary solution methods, the book gives readers a clear explanation of exact techniques for ordinary and partial difference equations. The informal presentation is suitable for anyone who is familiar with standard differential equation methods. No prior knowledge of difference equations or symmetry is assumed. The author uses worked examples to help readers grasp new concepts easily. There are 120 exercises of varying difficulty and suggestions for further reading. The book goes to the cutting edge of research; its many new ideas and methods make it a valuable reference for researchers in the field.

  13. Handbook of integral equations

    CERN Document Server

    Polyanin, Andrei D

    2008-01-01

    This handbook contains over 2,500 integral equations with solutions as well as analytical and numerical methods for solving linear and nonlinear equations. It explores Volterra, Fredholm, WienerHopf, Hammerstein, Uryson, and other equations that arise in mathematics, physics, engineering, the sciences, and economics. This second edition includes new chapters on mixed multidimensional equations and methods of integral equations for ODEs and PDEs, along with over 400 new equations with exact solutions. With many examples added for illustrative purposes, it presents new material on Volterra, Fredholm, singular, hypersingular, dual, and nonlinear integral equations, integral transforms, and special functions.

  14. Volume transport and generalized hydrodynamic equations for monatomic fluids.

    Science.gov (United States)

    Eu, Byung Chan

    2008-10-07

    In this paper, the effects of volume transport on the generalized hydrodynamic equations for a pure simple fluid are examined from the standpoint of statistical mechanics and, in particular, kinetic theory of fluids. First, we derive the generalized hydrodynamic equations, namely, the constitutive equations for the stress tensor and heat flux for a single-component monatomic fluid, from the generalized Boltzmann equation in the presence of volume transport. Then their linear steady-state solutions are derived and examined with regard to the effects of volume transport on them. The generalized hydrodynamic equations and linear constitutive relations obtained for nonconserved variables make it possible to assess Brenner's proposition [Physica A 349, 11 (2005); Physica A 349, 60 (2005)] for volume transport and attendant mass and volume velocities as well as the effects of volume transport on the Newtonian law of viscosity, compression/dilatation (bulk viscosity) phenomena, and Fourier's law of heat conduction. On the basis of study made, it is concluded that the notion of volume transport is sufficiently significant to retain in irreversible thermodynamics of fluids and fluid mechanics.

  15. U.S. stock market interaction network as learned by the Boltzmann machine

    Science.gov (United States)

    Borysov, Stanislav S.; Roudi, Yasser; Balatsky, Alexander V.

    2015-12-01

    We study historical dynamics of joint equilibrium distribution of stock returns in the U.S. stock market using the Boltzmann distribution model being parametrized by external fields and pairwise couplings. Within Boltzmann learning framework for statistical inference, we analyze historical behavior of the parameters inferred using exact and approximate learning algorithms. Since the model and inference methods require use of binary variables, effect of this mapping of continuous returns to the discrete domain is studied. The presented results show that binarization preserves the correlation structure of the market. Properties of distributions of external fields and couplings as well as the market interaction network and industry sector clustering structure are studied for different historical dates and moving window sizes. We demonstrate that the observed positive heavy tail in distribution of couplings is related to the sparse clustering structure of the market. We also show that discrepancies between the model's parameters might be used as a precursor of financial instabilities.

  16. Lattice Boltzmann Simulations in the Slip and Transition Flow Regime with the Peano Framework

    KAUST Repository

    Neumann, Philipp

    2012-01-01

    We present simulation results of flows in the finite Knudsen range, which is in the slip and transition flow regime. Our implementations are based on the Lattice Boltzmann method and are accomplished within the Peano framework. We validate our code by solving two- and three-dimensional channel flow problems and compare our results with respective experiments from other research groups. We further apply our Lattice Boltzmann solver to the geometrical setup of a microreactor consisting of differently sized channels and a reactor chamber. Here, we apply static adaptive grids to fur-ther reduce computational costs. We further investigate the influence of using a simple BGK collision kernel in coarse grid regions which are further away from the slip boundaries. Our results are in good agreement with theory and non-adaptive simulations, demonstrating the validity and the capabilities of our adaptive simulation software for flow problems at finite Knudsen numbers.

  17. Beyond standard Poisson-Boltzmann theory: ion-specific interactions in aqueous solutions

    International Nuclear Information System (INIS)

    Ben-Yaakov, Dan; Andelman, David; Harries, Daniel; Podgornik, Rudi

    2009-01-01

    The Poisson-Boltzmann mean-field description of ionic solutions has been successfully used in predicting charge distributions and interactions between charged macromolecules. While the electrostatic model of charged fluids, on which the Poisson-Boltzmann description rests, and its statistical mechanical consequences have been scrutinized in great detail, much less is understood about its probable shortcomings when dealing with various aspects of real physical, chemical and biological systems. These shortcomings are not only a consequence of the limitations of the mean-field approximation per se, but perhaps are primarily due to the fact that the purely Coulombic model Hamiltonian does not take into account various additional interactions that are not electrostatic in their origin. We explore several possible non-electrostatic contributions to the free energy of ions in confined aqueous solutions and investigate their ramifications and consequences on ionic profiles and interactions between charged surfaces and macromolecules.

  18. From Pore Scale to Turbulent Flow with the Unstructured Lattice Boltzmann Method

    DEFF Research Database (Denmark)

    Matin, Rastin

    region depends on the method of time integration. The formulation based on the finite element method exhibits improved stability and is therefore used for two applications. Firstly, together with a free-energy model two-phase flow is simulated at large density and kinematic viscosity contrasts including......Abstract: The lattice Boltzmann method is a class of methods in computational fluid dynamics for simulating fluid flow. Implementations on unstructured grids are particularly relevant for various engineering applications, where geometric flexibility or high resolution near a body or a wall...... is required. The main topic of this thesis is to further develop unstructured lattice Boltzmann methods for simulations of Newtonian fluid flow in three dimensions, in particular porous flow. Two methods are considered in this thesis based on the finite volume method and finite element method, respectively...

  19. Steady-State Anderson Accelerated Coupling of Lattice Boltzmann and Navier–Stokes Solvers

    KAUST Repository

    Atanasov, Atanas

    2016-10-17

    We present an Anderson acceleration-based approach to spatially couple three-dimensional Lattice Boltzmann and Navier–Stokes (LBNS) flow simulations. This allows to locally exploit the computational features of both fluid flow solver approaches to the fullest extent and yields enhanced control to match the LB and NS degrees of freedom within the LBNS overlap layer. Designed for parallel Schwarz coupling, the Anderson acceleration allows for the simultaneous execution of both Lattice Boltzmann and Navier–Stokes solver. We detail our coupling methodology, validate it, and study convergence and accuracy of the Anderson accelerated coupling, considering three steady-state scenarios: plane channel flow, flow around a sphere and channel flow across a porous structure. We find that the Anderson accelerated coupling yields a speed-up (in terms of iteration steps) of up to 40% in the considered scenarios, compared to strictly sequential Schwarz coupling.

  20. Prediction of sound absorption in rigid porous media with the lattice Boltzmann method

    Science.gov (United States)

    da Silva, Andrey Ricardo; Mareze, Paulo; Brandão, Eric

    2016-02-01

    In this work, sound absorption phenomena associated with the viscous shear stress within rigid porous media is investigated with a simple isothermal lattice Boltzmann BGK model. Simulations are conducted for different macroscopic material properties such as sample thickness and porosity and the results are compared with the exact analytical solution for materials with slit-like structure in terms of acoustic impedance and sound absorption coefficient. The numerical results agree very well with the exact solution, particularly for the sound absorption coefficient. The small deviations found in the low frequency limit for the real part of the acoustic impedance are attributed to the ratio between the thicknesses of the slit and the viscous boundary layer. The results suggest that the lattice Boltzmann method can be a very compelling numerical tool for simulating viscous sound absorption phenomena in the time domain, particularly due to its computational simplicity when compared to traditional continuum based techniques.

  1. Prediction of sound absorption in rigid porous media with the lattice Boltzmann method

    International Nuclear Information System (INIS)

    Silva, Andrey Ricardo da; Mareze, Paulo; Brandão, Eric

    2016-01-01

    In this work, sound absorption phenomena associated with the viscous shear stress within rigid porous media is investigated with a simple isothermal lattice Boltzmann BGK model. Simulations are conducted for different macroscopic material properties such as sample thickness and porosity and the results are compared with the exact analytical solution for materials with slit-like structure in terms of acoustic impedance and sound absorption coefficient. The numerical results agree very well with the exact solution, particularly for the sound absorption coefficient. The small deviations found in the low frequency limit for the real part of the acoustic impedance are attributed to the ratio between the thicknesses of the slit and the viscous boundary layer. The results suggest that the lattice Boltzmann method can be a very compelling numerical tool for simulating viscous sound absorption phenomena in the time domain, particularly due to its computational simplicity when compared to traditional continuum based techniques. (paper)

  2. Beyond Gibbs-Boltzmann-Shannon: General Entropies -- The Gibbs-Lorentzian Example

    Directory of Open Access Journals (Sweden)

    Rudolf A. Treumann

    2014-08-01

    Full Text Available We propose a generalisation of Gibbs' statistical mechanics into the domain of non-negligible phase space correlations. Derived are the probability distribution and entropy as a generalised ensemble average, replacing Gibbs-Boltzmann-Shannon's entropy definition enabling construction of new forms of statistical mechanics. The general entropy may also be of importance in information theory and data analysis. Application to generalised Lorentzian phase space elements yields the Gibbs-Lorentzian power law probability distribution and statistical mechanics. The corresponding Boltzmann, Fermi and Bose-Einstein distributions are found. They apply only to finite temperature states including correlations. As a by-product any negative absolute temperatures are categorically excluded, supporting a recent ``no-negative $T$ claim.

  3. Accelerated lattice Boltzmann model for colloidal suspensions rheology and interface morphology

    CERN Document Server

    Farhat, Hassan; Kondaraju, Sasidhar

    2014-01-01

    Colloids are ubiquitous in the food, medical, cosmetics, polymers, water purification, and pharmaceutical industries. The thermal, mechanical, and storage properties of colloids are highly dependent on their interface morphology and their rheological behavior. Numerical methods provide a convenient and reliable tool for the study of colloids. Accelerated Lattice Boltzmann Model for Colloidal Suspensions introduce the main building-blocks for an improved lattice Boltzmann–based numerical tool designed for the study of colloidal rheology and interface morphology. This book also covers the migrating multi-block used to simulate single component, multi-component, multiphase, and single component multiphase flows and their validation by experimental, numerical, and analytical solutions.   Among other topics discussed are the hybrid lattice Boltzmann method (LBM) for surfactant-covered droplets; biological suspensions such as blood; used in conjunction with the suppression of coalescence for investigating the...

  4. On the Stability of the Finite Difference based Lattice Boltzmann Method

    KAUST Repository

    El-Amin, Mohamed

    2013-06-01

    This paper is devoted to determining the stability conditions for the finite difference based lattice Boltzmann method (FDLBM). In the current scheme, the 9-bit two-dimensional (D2Q9) model is used and the collision term of the Bhatnagar- Gross-Krook (BGK) is treated implicitly. The implicitness of the numerical scheme is removed by introducing a new distribution function different from that being used. Therefore, a new explicit finite-difference lattice Boltzmann method is obtained. Stability analysis of the resulted explicit scheme is done using Fourier expansion. Then, stability conditions in terms of time and spatial steps, relaxation time and explicitly-implicitly parameter are determined by calculating the eigenvalues of the given difference system. The determined conditions give the ranges of the parameters that have stable solutions.

  5. Comparison of density functional and modified Poisson-Boltzmann structural properties for a spherical double layer

    Directory of Open Access Journals (Sweden)

    L.B.Bhuiyan

    2005-01-01

    Full Text Available The density functional and modified Poisson-Boltzmann descriptions of a spherical (electric double layer are compared and contrasted vis-a-vis existing Monte Carlo simulation data (for small ion diameter 4.25·10-10 m from the literature for a range of physical parameters such as macroion surface charge, macroion radius, valencies of the small ions, and electrolyte concentration. Overall, the theoretical predictions are seen to be remarkably consistent between themselves, being also in very good agreement with the simulations. Some modified Poisson-Boltzmann results for the zeta potential at small ion diameters of 3 and 2·10-10 m are also reported.

  6. Magnetic nanoparticles in fluid environment: combining molecular dynamics and Lattice-Boltzmann

    Science.gov (United States)

    Melenev, Petr

    2017-06-01

    Hydrodynamic interactions between magnetic nanoparticles suspended in the Newtonian liquid are accounted for using a combination of the lattice Boltzmann method and molecular dynamics simulations. Nanoparticle is modelled by the system of molecular dynamics material points (which form structure resembles raspberry) coupled to the lattice Boltzmann fluid. The hydrodynamic coupling between the colloids is studied by simulations of the thermo-induced rotational diffusion of two raspberry objects. It was found that for the considered range of model parameters the approaching of the raspberries leads to slight retard of the relaxation process. The presence of the weak magnetic dipolar interaction between the objects leads to modest decrease of the relaxation time and the extent of the acceleration of the diffusion is intensified along with magnetic forces.

  7. Stoichiometry Calculation in BaxSr1−xTiO3 Solid Solution Thin Films, Prepared by RF Cosputtering, Using X-Ray Diffraction Peak Positions and Boltzmann Sigmoidal Modelling

    Directory of Open Access Journals (Sweden)

    J. Reséndiz-Muñoz

    2017-01-01

    Full Text Available A novel procedure based on the use of the Boltzmann equation to model the x parameter, the film deposition rate, and the optical band gap of BaxSr1−xTiO3 thin films is proposed. The BaxSr1−xTiO3 films were prepared by RF cosputtering from BaTiO3 and SrTiO3 targets changing the power applied to each magnetron to obtain different Ba/Sr contents. The method to calculate x consisted of fitting the angular shift of (110, (111, and (211 diffraction peaks observed as the density of substitutional Ba2+ increases in the solid solution when the applied RF power increases, followed by a scale transformation from applied power to x parameter using the Boltzmann equation. The Ba/Sr ratio was obtained from X-ray energy dispersive spectroscopy; the comparison with the X-ray diffraction derived composition shows a remarkable coincidence while the discrepancies offer a valuable diagnosis on the sputtering flux and phase composition. The proposed method allows a quick setup of the RF cosputtering system to control film composition providing a versatile tool to optimization of the process.

  8. On the asymptotic behavior of a boltzmann-type price formation model

    KAUST Repository

    Burger, Martin

    2014-01-01

    In this paper we study the asymptotic behavior of a Boltzmann-type price formation model, which describes the trading dynamics in a financial market. In many of these markets trading happens at high frequencies and low transaction costs. This observation motivates the study of the limit as the number of transactions k tends to infinity, the transaction cost a to zero and ka=const. Furthermore we illustrate the price dynamics with numerical simulations © 2014 International Press.

  9. An Algorithm of Quantum Restricted Boltzmann Machine Network Based on Quantum Gates and Its Application

    Directory of Open Access Journals (Sweden)

    Peilin Zhang

    2015-01-01

    Full Text Available We present an algorithm of quantum restricted Boltzmann machine network based on quantum gates. The algorithm is used to initialize the procedure that adjusts the qubit and weights. After adjusting, the network forms an unsupervised generative model that gives better classification performance than other discriminative models. In addition, we show how the algorithm can be constructed with quantum circuit for quantum computer.

  10. Boltzmann statistical consideration on the excitation mechanism of iron atomic lines emitted from glow discharge plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Lei; Kashiwakura, Shunsuke; Wagatsuma, Kazuaki, E-mail: wagatuma@imr.tohoku.ac.jp

    2011-11-15

    A Boltzmann plot for many iron atomic lines having excitation energies of 3.3-6.9 eV was investigated in glow discharge plasmas when argon or neon was employed as the plasma gas. The plot did not show a linear relationship over a wide range of the excitation energy, but showed that the emission lines having higher excitation energies largely deviated from a normal Boltzmann distribution whereas those having low excitation energies (3.3-4.3 eV) well followed it. This result would be derived from an overpopulation among the corresponding energy levels. A probable reason for this is that excitations for the high-lying excited levels would be caused predominantly through a Penning-type collision with the metastable atom of argon or neon, followed by recombination with an electron and then stepwise de-excitations which can populate the excited energy levels just below the ionization limit of iron atom. The non-thermal excitation occurred more actively in the argon plasma rather than the neon plasma, because of a difference in the number density between the argon and the neon metastables. The Boltzmann plots yields important information on the reason why lots of Fe I lines assigned to high-lying excited levels can be emitted from glow discharge plasmas. - Highlights: Black-Right-Pointing-Pointer This paper shows the excitation mechanism of Fe I lines from a glow discharge plasma. Black-Right-Pointing-Pointer A Boltzmann distribution is studied among iron lines of various excitation levels. Black-Right-Pointing-Pointer We find an overpopulation of the high-lying energy levels from the normal distribution. Black-Right-Pointing-Pointer It is caused through Penning-type collision of iron atom with argon metastable atom.

  11. Boltzmann statistical consideration on the excitation mechanism of iron atomic lines emitted from glow discharge plasmas

    International Nuclear Information System (INIS)

    Zhang Lei; Kashiwakura, Shunsuke; Wagatsuma, Kazuaki

    2011-01-01

    A Boltzmann plot for many iron atomic lines having excitation energies of 3.3–6.9 eV was investigated in glow discharge plasmas when argon or neon was employed as the plasma gas. The plot did not show a linear relationship over a wide range of the excitation energy, but showed that the emission lines having higher excitation energies largely deviated from a normal Boltzmann distribution whereas those having low excitation energies (3.3–4.3 eV) well followed it. This result would be derived from an overpopulation among the corresponding energy levels. A probable reason for this is that excitations for the high-lying excited levels would be caused predominantly through a Penning-type collision with the metastable atom of argon or neon, followed by recombination with an electron and then stepwise de-excitations which can populate the excited energy levels just below the ionization limit of iron atom. The non-thermal excitation occurred more actively in the argon plasma rather than the neon plasma, because of a difference in the number density between the argon and the neon metastables. The Boltzmann plots yields important information on the reason why lots of Fe I lines assigned to high-lying excited levels can be emitted from glow discharge plasmas. - Highlights: ► This paper shows the excitation mechanism of Fe I lines from a glow discharge plasma. ► A Boltzmann distribution is studied among iron lines of various excitation levels. ► We find an overpopulation of the high-lying energy levels from the normal distribution. ► It is caused through Penning-type collision of iron atom with argon metastable atom.

  12. Entropic multirelaxation-time lattice Boltzmann method for moving and deforming geometries in three dimensions

    Science.gov (United States)

    Dorschner, B.; Chikatamarla, S. S.; Karlin, I. V.

    2017-06-01

    Entropic lattice Boltzmann methods have been developed to alleviate intrinsic stability issues of lattice Boltzmann models for under-resolved simulations. Its reliability in combination with moving objects was established for various laminar benchmark flows in two dimensions in our previous work [B. Dorschner, S. Chikatamarla, F. Bösch, and I. Karlin, J. Comput. Phys. 295, 340 (2015), 10.1016/j.jcp.2015.04.017] as well as for three-dimensional one-way coupled simulations of engine-type geometries in B . Dorschner, F. Bösch, S. Chikatamarla, K. Boulouchos, and I. Karlin [J. Fluid Mech. 801, 623 (2016), 10.1017/jfm.2016.448] for flat moving walls. The present contribution aims to fully exploit the advantages of entropic lattice Boltzmann models in terms of stability and accuracy and extends the methodology to three-dimensional cases, including two-way coupling between fluid and structure and then turbulence and deforming geometries. To cover this wide range of applications, the classical benchmark of a sedimenting sphere is chosen first to validate the general two-way coupling algorithm. Increasing the complexity, we subsequently consider the simulation of a plunging SD7003 airfoil in the transitional regime at a Reynolds number of Re =40 000 and, finally, to access the model's performance for deforming geometries, we conduct a two-way coupled simulation of a self-propelled anguilliform swimmer. These simulations confirm the viability of the new fluid-structure interaction lattice Boltzmann algorithm to simulate flows of engineering relevance.

  13. Accurate determination of the Boltzmann constant by Doppler spectroscopy: Towards a new definition of the kelvin

    OpenAIRE

    Darquié Benoît; Mejri Sinda; Sow Papa Lat Tabara; Lemarchand Cyril; Triki Meriam; Tokunaga Sean K.; Bordé Christian J.; Chardonnet Christian; Daussy Christophe

    2013-01-01

    proceedings of the ICAP 2012 conference (23rd International Conference on Atomic Physics); International audience; Accurate molecular spectroscopy in the mid-infrared region allows precision measurements of fundamental constants. For instance, measuring the linewidth of an isolated Doppler-broadened absorption line of ammonia around 10 µm enables a determination of the Boltzmann constant k B. We report on our latest measurements. By fitting this lineshape to several models which include Dicke...

  14. Some progress in the development of lattice Boltzmann methods for dissipative MHD

    Czech Academy of Sciences Publication Activity Database

    Macnab, A.; Vahala, G.; Vahala, L.; Pavlo, Pavol; Soe, M.

    2002-01-01

    Roč. 52, supplement D (2002), s. 59-64 ISSN 0011-4626. [Symposium on Plasma Physics and Technology/20th./. Prague, 10.06.2002-13.06.2002] R&D Projects: GA ČR GA202/00/1216 Institutional research plan: CEZ:AV0Z2043910 Keywords : Boltzmann models Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 0.311, year: 2002

  15. A quantitative method to analyse an open answer questionnaire: A case study about the Boltzmann Factor

    International Nuclear Information System (INIS)

    Battaglia, Onofrio Rosario; Di Paola, Benedetto

    2015-01-01

    This paper describes a quantitative method to analyse an openended questionnaire. Student responses to a specially designed written questionnaire are quantitatively analysed by not hierarchical clustering called k-means method. Through this we can characterise behaviour students with respect their expertise to formulate explanations for phenomena or processes and/or use a given model in the different context. The physics topic is about the Boltzmann Factor, which allows the students to have a unifying view of different phenomena in different contexts.

  16. Lattice Boltzmann method used to simulate particle motion in a conduit

    Czech Academy of Sciences Publication Activity Database

    Dolanský, Jindřich; Chára, Zdeněk; Vlasák, Pavel; Kysela, Bohuš

    2017-01-01

    Roč. 65, č. 2 (2017), s. 105-113 ISSN 0042-790X R&D Projects: GA ČR GA15-18870S Institutional support: RVO:67985874 Keywords : Lattice Boltzmann method * particle motion * particle–fluid interaction * PIV * particle tracking Subject RIV: BK - Fluid Dynamics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 1.654, year: 2016

  17. Spectral model selection in the electronic measurement of the Boltzmann constant by Johnson noise thermometry

    Science.gov (United States)

    Coakley, Kevin J.; Qu, Jifeng

    2017-04-01

    In the electronic measurement of the Boltzmann constant based on Johnson noise thermometry, the ratio of the power spectral densities of thermal noise across a resistor at the triple point of water, and pseudo-random noise synthetically generated by a quantum-accurate voltage-noise source is constant to within 1 part in a billion for frequencies up to 1 GHz. Given knowledge of this ratio, and the values of other parameters that are known or measured, one can determine the Boltzmann constant. Due, in part, to mismatch between transmission lines, the experimental ratio spectrum varies with frequency. We model this spectrum as an even polynomial function of frequency where the constant term in the polynomial determines the Boltzmann constant. When determining this constant (offset) from experimental data, the assumed complexity of the ratio spectrum model and the maximum frequency analyzed (fitting bandwidth) dramatically affects results. Here, we select the complexity of the model by cross-validation—a data-driven statistical learning method. For each of many fitting bandwidths, we determine the component of uncertainty of the offset term that accounts for random and systematic effects associated with imperfect knowledge of model complexity. We select the fitting bandwidth that minimizes this uncertainty. In the most recent measurement of the Boltzmann constant, results were determined, in part, by application of an earlier version of the method described here. Here, we extend the earlier analysis by considering a broader range of fitting bandwidths and quantify an additional component of uncertainty that accounts for imperfect performance of our fitting bandwidth selection method. For idealized simulated data with additive noise similar to experimental data, our method correctly selects the true complexity of the ratio spectrum model for all cases considered. A new analysis of data from the recent experiment yields evidence for a temporal trend in the offset

  18. An Improved Immersed-Boundary Algorithm for Fluid-Solid Interaction un Lattice-Boltzmann Simulations

    OpenAIRE

    Boroni, Gustavo Adolfo; Dottori, Javier Alejandro; Dalponte, Diego David; Rinaldi, Pablo Rafael; Clausse, Alejandro

    2015-01-01

    An improved algorithm combining the features of the lattice Boltzmann and the immersed-boundary methods is presented. Following previous formulations, the method represents a fluid con-strained by flexible boundaries by means of a force term acting on the cells adjacent to the boundary, which in turn is moved by the fluid. The present al-gorithm introduces a more efficient iteration proce-dure to calculate the fluid-boundary interaction, which facilitates the implementation. The simulations w...

  19. Lattice Boltzmann simulation of fluid flow induced by thermal effect in heterogeneity porous media

    Directory of Open Access Journals (Sweden)

    Hou Peng

    2017-01-01

    Full Text Available In this paper, a coupled lattice Boltzmann model is used to visually study fluid flow induced by thermal effect in heterogeneity porous media reconstructed by the quartet structure generation set. The fluid flow behavior inside porous media is presented and analyzed under different conditions. The simulation results indicate that the pore morphological properties of porous media and the Rayleigh number have noticeable impact on the velocity distribution and flow rate of fluid.

  20. Magnetic nanoparticles in fluid environment: combining molecular dynamics and Lattice-Boltzmann

    Energy Technology Data Exchange (ETDEWEB)

    Melenev, Petr, E-mail: melenev@icmm.ru [Ural Federal University, 4, Turgeneva str., 620000 Ekaterinburg (Russian Federation); Institute of Continuous Media Mechanics, 1, Koroleva str., 614013 Perm (Russian Federation)

    2017-06-01

    Hydrodynamic interactions between magnetic nanoparticles suspended in the Newtonian liquid are accounted for using a combination of the lattice Boltzmann method and molecular dynamics simulations. Nanoparticle is modelled by the system of molecular dynamics material points (which form structure resembles raspberry) coupled to the lattice Boltzmann fluid. The hydrodynamic coupling between the colloids is studied by simulations of the thermo-induced rotational diffusion of two raspberry objects. It was found that for the considered range of model parameters the approaching of the raspberries leads to slight retard of the relaxation process. The presence of the weak magnetic dipolar interaction between the objects leads to modest decrease of the relaxation time and the extent of the acceleration of the diffusion is intensified along with magnetic forces. - Highlights: • The combination of molecular dynamics and lattice Boltzmann method is utilized for the reveal of the role of hydrodynamic interaction in rotational dynamics of colloid particles. • The verification of the model parameters is done based on the comparison with the results of Langevin dynamics. • For the task of free rotational diffusion of the pair of colloid particles the influence of the hydrodynamic interactions on the relaxation time is examined in the case of nonmagnetic particles and at the presence of weak dipolar interaction.

  1. Measurement of the Boltzmann constant by Johnson noise thermometry using a superconducting integrated circuit

    Science.gov (United States)

    Urano, C.; Yamazawa, K.; Kaneko, N.-H.

    2017-12-01

    We report on our measurement of the Boltzmann constant by Johnson noise thermometry (JNT) using an integrated quantum voltage noise source (IQVNS) that is fully implemented with superconducting integrated circuit technology. The IQVNS generates calculable pseudo white noise voltages to calibrate the JNT system. The thermal noise of a sensing resistor placed at the temperature of the triple point of water was measured precisely by the IQVNS-based JNT. We accumulated data of more than 429 200 s in total (over 6 d) and used the Akaike information criterion to estimate the fitting frequency range for the quadratic model to calculate the Boltzmann constant. Upon detailed evaluation of the uncertainty components, the experimentally obtained Boltzmann constant was k=1.380 6436× {{10}-23} J K-1 with a relative combined uncertainty of 10.22× {{10}-6} . The value of k is relatively -3.56× {{10}-6} lower than the CODATA 2014 value (Mohr et al 2016 Rev. Mod. Phys. 88 035009).

  2. A Lattice-Boltzmann model for simulating bedform-induced hyporheic exchange

    Science.gov (United States)

    Dapelo, D.; Bridgeman, J.; Krause, S.

    2016-12-01

    Bedform-induced hyporheic exchange plays a fundamental role in the ecohydrological and biogeochemical functioning of aquifer-river interfaces. The understanding of the complex interchange of hyporheic exchange fluxes, solute and energy transport between surface and groundwater is fundamental to design effective management, restoration and pollution mitigation strategies. For the first time, the Lattice-Boltzmann method was used to simulate 2D hyporheic exchange flow across a succession of dunes. The velocity field in both surface and groundwater was simulated directly; then, residence times were computed through post-processing. As a novelty to most previous applications of similar computational fluid dynamics models, a grid-independence test was performed for to analyse independence of the results from the mesh choice. The Lattice-Boltzmann simulation results are compared to previous fluid dynamic models of similar bedforms, and the impact of the bedform on hyporheic exchange flow dynamics is discussed. As an advantage, both the free-flow and the hyporheic exchange flow are simulated within the same model, thus removing the need of developing two distinct models as well as the coupling between them: the model dynamically reproduces turbulent Navier-Stokes (surface water) or generalized Darcian (groundwater) flow, depending only on the local value of the porosity field. Through this model, the critical advantages of the Lattice-Boltzmann method, consisting of unparalleled computational parsimony, meshing simplicity and attitude towards diffuse computing, are made available for a wide range of similar applications.

  3. Magnetic nanoparticles in fluid environment: combining molecular dynamics and Lattice-Boltzmann

    International Nuclear Information System (INIS)

    Melenev, Petr

    2017-01-01

    Hydrodynamic interactions between magnetic nanoparticles suspended in the Newtonian liquid are accounted for using a combination of the lattice Boltzmann method and molecular dynamics simulations. Nanoparticle is modelled by the system of molecular dynamics material points (which form structure resembles raspberry) coupled to the lattice Boltzmann fluid. The hydrodynamic coupling between the colloids is studied by simulations of the thermo-induced rotational diffusion of two raspberry objects. It was found that for the considered range of model parameters the approaching of the raspberries leads to slight retard of the relaxation process. The presence of the weak magnetic dipolar interaction between the objects leads to modest decrease of the relaxation time and the extent of the acceleration of the diffusion is intensified along with magnetic forces. - Highlights: • The combination of molecular dynamics and lattice Boltzmann method is utilized for the reveal of the role of hydrodynamic interaction in rotational dynamics of colloid particles. • The verification of the model parameters is done based on the comparison with the results of Langevin dynamics. • For the task of free rotational diffusion of the pair of colloid particles the influence of the hydrodynamic interactions on the relaxation time is examined in the case of nonmagnetic particles and at the presence of weak dipolar interaction.

  4. Nonlinear evolution equations

    CERN Document Server

    Uraltseva, N N

    1995-01-01

    This collection focuses on nonlinear problems in partial differential equations. Most of the papers are based on lectures presented at the seminar on partial differential equations and mathematical physics at St. Petersburg University. Among the topics explored are the existence and properties of solutions of various classes of nonlinear evolution equations, nonlinear imbedding theorems, bifurcations of solutions, and equations of mathematical physics (Navier-Stokes type equations and the nonlinear Schrödinger equation). The book will be useful to researchers and graduate students working in p

  5. Introduction to differential equations

    CERN Document Server

    Taylor, Michael E

    2011-01-01

    The mathematical formulations of problems in physics, economics, biology, and other sciences are usually embodied in differential equations. The analysis of the resulting equations then provides new insight into the original problems. This book describes the tools for performing that analysis. The first chapter treats single differential equations, emphasizing linear and nonlinear first order equations, linear second order equations, and a class of nonlinear second order equations arising from Newton's laws. The first order linear theory starts with a self-contained presentation of the exponen

  6. Electro-osmosis of non-Newtonian fluids in porous media using lattice Poisson-Boltzmann method.

    Science.gov (United States)

    Chen, Simeng; He, Xinting; Bertola, Volfango; Wang, Moran

    2014-12-15

    Electro-osmosis in porous media has many important applications in various areas such as oil and gas exploitation and biomedical detection. Very often, fluids relevant to these applications are non-Newtonian because of the shear-rate dependent viscosity. The purpose of this study was to investigate the behaviors and physical mechanism of electro-osmosis of non-Newtonian fluids in porous media. Model porous microstructures (granular, fibrous, and network) were created by a random generation-growth method. The nonlinear governing equations of electro-kinetic transport for a power-law fluid were solved by the lattice Poisson-Boltzmann method (LPBM). The model results indicate that: (i) the electro-osmosis of non-Newtonian fluids exhibits distinct nonlinear behaviors compared to that of Newtonian fluids; (ii) when the bulk ion concentration or zeta potential is high enough, shear-thinning fluids exhibit higher electro-osmotic permeability, while shear-thickening fluids lead to the higher electro-osmotic permeability for very low bulk ion concentration or zeta potential; (iii) the effect of the porous medium structure depends significantly on the constitutive parameters: for fluids with large constitutive coefficients strongly dependent on the power-law index, the network structure shows the highest electro-osmotic permeability while the granular structure exhibits the lowest permeability on the entire range of power law indices considered; when the dependence of the constitutive coefficient on the power law index is weaker, different behaviors can be observed especially in case of strong shear thinning. Copyright © 2014 Elsevier Inc. All rights reserved.

  7. Open quantum system model of the one-dimensional Burgers equation with tunable shear viscosity

    International Nuclear Information System (INIS)

    Yepez, Jeffrey

    2006-01-01

    Presented is an analysis of an open quantum model of the time-dependent evolution of a flow field governed by the nonlinear Burgers equation in one spatial dimension. The quantum model is a system of qubits where there exists a minimum time interval in the time-dependent dynamics. Each temporally discrete unitary quantum-mechanical evolution is followed by state reduction of the quantum state. The mesoscopic behavior of this quantum model is described by a quantum Boltzmann equation with a naturally emergent entropy function and H theorem and the model obeys the detailed balance principle. The macroscopic-scale effective field theory for the quantum model is derived using a perturbative Chapman-Enskog expansion applied to the linearized quantum Boltzmann equation. The entropy function is consistent with the quantum-mechanical collision process and a Fermi-Dirac single-particle distribution function for the occupation probabilities of the qubit's energy eigenstates. Comparisons are presented between analytical predictions and numerical predictions and the agreement is excellent, indicating that the nonlinear Burgers equation with a tunable shear viscosity is the operative macroscopic scale effective field theory

  8. Exploring a charge-central strategy in the solution of Poisson's equation for biomolecular applications.

    Science.gov (United States)

    Liu, Xingping; Wang, Changhao; Wang, Jun; Li, Zhilin; Zhao, Hongkai; Luo, Ray

    2013-01-07

    Continuum solvent treatments based on the Poisson-Boltzmann equation have been widely accepted for energetic analysis of biomolecular systems. In these approaches, the molecular solute is treated as a low dielectric region and the solvent is treated as a high dielectric continuum. The existence of a sharp dielectric jump at the solute-solvent interface poses a challenge to model the solvation energetics accurately with such a simple mathematical model. In this study, we explored and evaluated a strategy based on the "induced surface charge" to eliminate the dielectric jump within the finite-difference discretization scheme. In addition to the use of the induced surface charges in solving the equation, the second-order accurate immersed interface method is also incorporated to discretize the equation. The resultant linear system is solved with the GMRES algorithm to explicitly impose the flux conservation condition across the solvent-solute interface. The new strategy was evaluated on both analytical and realistic biomolecular systems. The numerical tests demonstrate the feasibility of utilizing induced surface charge in the finite-difference solution of the Poisson-Boltzmann equation. The analysis data further show that the strategy is consistent with theory and the classical finite-difference method on the tested systems. Limitations of the current implementations and further improvements are also analyzed and discussed to fully bring out its potential of achieving higher numerical accuracy.

  9. Generalized modification in the lattice Bhatnagar-Gross-Krook model for incompressible Navier-Stokes equations and convection-diffusion equations.

    Science.gov (United States)

    Yang, Xuguang; Shi, Baochang; Chai, Zhenhua

    2014-07-01

    In this paper, two modified lattice Boltzmann Bhatnagar-Gross-Krook (LBGK) models for incompressible Navier-Stokes equations and convection-diffusion equations are proposed via the addition of correction terms in the evolution equations. Utilizing this modification, the value of the dimensionless relaxation time in the LBGK model can be kept in a proper range, and thus the stability of the LBGK model can be improved. Although some gradient operators are included in the correction terms, they can be computed efficiently using local computational schemes such that the present LBGK models still retain the intrinsic parallelism characteristic of the lattice Boltzmann method. Numerical studies of the steady Poiseuille flow and unsteady Womersley flow show that the modified LBGK model has a second-order convergence rate in space, and the compressibility effect in the common LBGK model can be eliminated. In addition, to test the stability of the present models, we also performed some simulations of the natural convection in a square cavity, and we found that the results agree well with those reported in the previous work, even at a very high Rayleigh number (Ra = 10(12)).

  10. Beginning partial differential equations

    CERN Document Server

    O'Neil, Peter V

    2014-01-01

    A broad introduction to PDEs with an emphasis on specialized topics and applications occurring in a variety of fields Featuring a thoroughly revised presentation of topics, Beginning Partial Differential Equations, Third Edition provides a challenging, yet accessible,combination of techniques, applications, and introductory theory on the subjectof partial differential equations. The new edition offers nonstandard coverageon material including Burger's equation, the telegraph equation, damped wavemotion, and the use of characteristics to solve nonhomogeneous problems. The Third Edition is or

  11. Ordinary differential equations

    CERN Document Server

    Greenberg, Michael D

    2014-01-01

    Features a balance between theory, proofs, and examples and provides applications across diverse fields of study Ordinary Differential Equations presents a thorough discussion of first-order differential equations and progresses to equations of higher order. The book transitions smoothly from first-order to higher-order equations, allowing readers to develop a complete understanding of the related theory. Featuring diverse and interesting applications from engineering, bioengineering, ecology, and biology, the book anticipates potential difficulties in understanding the various solution steps

  12. Law of cooling, heat conduction and Stefan-Boltzmann radiation laws fitted to experimental data for bones irradiated by CO2 laser.

    Science.gov (United States)

    Lévesque, Luc

    2014-03-01

    The rate of cooling of domesticated pig bones is investigated within the temperature range of 20°C-320°C. Within the afore-mentioned temperature range, it was found that different behaviors in the rate of cooling were taking place. For bones reaching a temperature within the lower temperature range of 20°C-50°C, it was found that the rate of cooling is mostly governed by the empirical Newton's law of cooling. It is also shown that a transition is taking place somewhere within 50°C-100°C, where both the heat conduction equation and Newton's law apply. As bones can be raised at a fairly high temperature before burning, it was found that the rate of cooling within the range 125°C-320°C is mostly behaving according to the heat conduction equation and Stefan-Boltzmann radiation law. A pulsed CO2 laser was used to heat the bones up to a given temperature and the change of temperature as a function of time was recorded by non-contact infrared thermometer during the cooling period.

  13. The Pendulum Equation

    Science.gov (United States)

    Fay, Temple H.

    2002-01-01

    We investigate the pendulum equation [theta] + [lambda][squared] sin [theta] = 0 and two approximations for it. On the one hand, we suggest that the third and fifth-order Taylor series approximations for sin [theta] do not yield very good differential equations to approximate the solution of the pendulum equation unless the initial conditions are…

  14. A Comparison of IRT Equating and Beta 4 Equating

    Science.gov (United States)

    Kim, Dong-In; Brennan, Robert; Kolen, Michael

    2005-01-01

    Four equating methods (3PL true score equating, 3PL observed score equating, beta 4 true score equating, and beta 4 observed score equating) were compared using four equating criteria: first-order equity (FOE), second-order equity (SOE), conditional-mean-squared-error (CMSE) difference, and the equi-percentile equating property. True score…

  15. An Explicit Formulation of Singularity-Free Dynamic Equations of Mechanical Systems in Lagrangian Form---Part one: Single Rigid Bodies

    Directory of Open Access Journals (Sweden)

    Pål Johan From

    2012-04-01

    Full Text Available This paper presents the explicit dynamic equations of a mechanical system. The equations are presented so that they can easily be implemented in a simulation software or controller environment and are also well suited for system and controller analysis. The dynamics of a general mechanical system consisting of one or more rigid bodies can be derived from the Lagrangian. We can then use several well known properties of Lie groups to guarantee that these equations are well defined. This will, however, often lead to rather abstract formulation of the dynamic equations that cannot be implemented in a simulation software directly. In this paper we close this gap and show what the explicit dynamic equations look like. These equations can then be implemented directly in a simulation software and no background knowledge on Lie theory and differential geometry on the practitioner's side is required. This is the first of two papers on this topic. In this paper we derive the dynamics for single rigid bodies, while in the second part we study multibody systems. In addition to making the equations more accessible to practitioners, a motivation behind the papers is to correct a few errors commonly found in literature. For the first time, we show the detailed derivations and how to arrive at the correct set of equations. We also show through some simple examples that these correspond with the classical formulations found from Lagrange's equations. The dynamics is derived from the Boltzmann--Hamel equations of motion in terms of local position and velocity variables and the mapping to the corresponding quasi-velocities. Finally we present a new theorem which states that the Boltzmann--Hamel formulation of the dynamics is valid for all transformations with a Lie group topology. This has previously only been indicated through examples, but here we also present the formal proof. The main motivation of these papers is to allow practitioners not familiar with

  16. On separable Pauli equations

    International Nuclear Information System (INIS)

    Zhalij, Alexander

    2002-01-01

    We classify (1+3)-dimensional Pauli equations for a spin-(1/2) particle interacting with the electro-magnetic field, that are solvable by the method of separation of variables. As a result, we obtain the 11 classes of vector-potentials of the electro-magnetic field A(t,x(vector sign))=(A 0 (t,x(vector sign)), A(vector sign)(t,x(vector sign))) providing separability of the corresponding Pauli equations. It is established, in particular, that the necessary condition for the Pauli equation to be separable into second-order matrix ordinary differential equations is its equivalence to the system of two uncoupled Schroedinger equations. In addition, the magnetic field has to be independent of spatial variables. We prove that coordinate systems and the vector-potentials of the electro-magnetic field providing the separability of the corresponding Pauli equations coincide with those for the Schroedinger equations. Furthermore, an efficient algorithm for constructing all coordinate systems providing the separability of Pauli equation with a fixed vector-potential of the electro-magnetic field is developed. Finally, we describe all vector-potentials A(t,x(vector sign)) that (a) provide the separability of Pauli equation, (b) satisfy vacuum Maxwell equations without currents, and (c) describe non-zero magnetic field

  17. Functional equations with causal operators

    CERN Document Server

    Corduneanu, C

    2003-01-01

    Functional equations encompass most of the equations used in applied science and engineering: ordinary differential equations, integral equations of the Volterra type, equations with delayed argument, and integro-differential equations of the Volterra type. The basic theory of functional equations includes functional differential equations with causal operators. Functional Equations with Causal Operators explains the connection between equations with causal operators and the classical types of functional equations encountered by mathematicians and engineers. It details the fundamentals of linear equations and stability theory and provides several applications and examples.

  18. Fermi-Pasta-Ulam-Tsingou problems: Passage from Boltzmann to q-statistics

    Science.gov (United States)

    Bagchi, Debarshee; Tsallis, Constantino

    2018-02-01

    The Fermi-Pasta-Ulam (FPU) one-dimensional Hamiltonian includes a quartic term which guarantees ergodicity of the system in the thermodynamic limit. Consistently, the Boltzmann factor P(ε) ∼e-βε describes its equilibrium distribution of one-body energies, and its velocity distribution is Maxwellian, i.e., P(v) ∼e - βv2 /2. We consider here a generalized system where the quartic coupling constant between sites decays as 1 / dijα (α ≥ 0 ;dij = 1 , 2 , …) . Through first-principle molecular dynamics we demonstrate that, for large α (above α ≃ 1), i.e., short-range interactions, Boltzmann statistics (based on the additive entropic functional SB [ P(z) ] = - k ∫ dzP(z) ln P(z)) is verified. However, for small values of α (below α ≃ 1), i.e., long-range interactions, Boltzmann statistics dramatically fails and is replaced by q-statistics (based on the nonadditive entropic functional Sq [ P(z) ] = k(1 - ∫ dz[ P(z) ]q) /(q - 1) , with S1 =SB). Indeed, the one-body energy distribution is q-exponential, P(ε) ∼ eqε-βε ε ≡[ 1 +(qε - 1) βε ε ]-1 /(qε - 1) with qε > 1, and its velocity distribution is given by P(v) ∼ eqv-βvv2 / 2 with qv > 1. Moreover, within small error bars, we verify qε =qv = q, which decreases from an extrapolated value q ≃ 5 / 3 to q = 1 when α increases from zero to α ≃ 1, and remains q = 1 thereafter.

  19. Effect of Rolling Massage on the Vortex Flow in Blood Vessels with Lattice Boltzmann Simulation

    Science.gov (United States)

    Yi, Hou Hui

    The rolling massage manipulation is a classic Chinese Medical Massage, which is a nature therapy in eliminating many diseases. Here, the effect of the rolling massage on the cavity flows in blood vessel under the rolling manipulation is studied by the lattice Boltzmann simulation. The simulation results show that the vortex flows are fully disturbed by the rolling massage. The flow behavior depends on the rolling velocity and the rolling depth. Rolling massage has a better effect on the flows in the cavity than that of the flows in a planar blood vessel. The result is helpful to understand the mechanism of the massage and develop the rolling techniques.

  20. Demand Forecasting at Low Aggregation Levels using Factored Conditional Restricted Boltzmann Machine

    DEFF Research Database (Denmark)

    Mocanu, Elena; Nguyen, Phuong H.; Gibescu, Madeleine

    2016-01-01

    approaches have been proposed in the literature. As an evolution of neural network-based prediction methods, deep learning techniques are expected to increase the prediction accuracy by allowing stochastic formulations and bi-directional connections between neurons. In this paper, we investigate a newly...... developed deep learning model for time series prediction, namely Factored Conditional Restricted Boltzmann Machine (FCRBM), and extend it for electrical demand forecasting. The assessment is made on the EcoGrid dataset, originating from the Bornholm island experiment in Denmark, consisting of aggregated...

  1. Lattice Boltzmann simulations of leukocyte rolling and deformation in a three-dimensional shear flow

    Science.gov (United States)

    Luo, Ye; Qi, Dewei; He, Guowei

    2013-11-01

    Lattice Boltzmann simulation is used to simulate the motion of a leukocyte in fluid. The cell membrane is built by lattice spring model. The interaction between the fluid flow and the solid surface is treated by immersed boundary method. Stochastic Monte Carlo method is used to deal with receptor/ligand interaction. It is shown that the model can correctly predict the characteristic ``stop-and-g'' motion of rolling leukocytes. Effects of cell deformation, shear rates, bonding force, microvilli distribution on rolling are studied and compared with experiments.

  2. New Fundamental Light Particle and Breakdown of Stefan-Boltzmann's Law

    Directory of Open Access Journals (Sweden)

    Samoilov V.

    2011-04-01

    Full Text Available Recently, we predicted the existence of fundamental particles in Nature, neutral Light Particles with spin 1 and rest mass m = 1.8 x 10^{-4} m_e, in addition to electrons, neutrons and protons. We call these particles Light Bosons because they create electromagnetic field which represents Planck's gas of massless photons together with a gas of Light Particles in the condensate. Such reasoning leads to a breakdown of Stefan-Boltzmann's law at low temperature. On the other hand, the existence of new fundamental neutral Light Particles leads to correction of such physical concepts as Bose-Einstein condensation of photons, polaritons and exciton polaritons.

  3. Poisson-Boltzmann thermodynamics of counter-ions confined by curved hard walls

    OpenAIRE

    Samaj, Ladislav; Trizac, E.

    2015-01-01

    We consider a set of identical mobile point-like charges (counter-ions) confined to a domain with curved hard walls carrying a uniform fixed surface charge density, the system as a whole being electroneutral. Three domain geometries are considered: a pair of parallel plates, the cylinder and the sphere. The particle system in thermal equilibrium is assumed to be described by the nonlinear Poisson-Boltzmann theory. While the effectively 1D plates and the 2D cylinder have already been solved, t...

  4. Lattice Boltzmann Simulation of Collision between 2D Circular Particles Suspension in Couette Flow

    Directory of Open Access Journals (Sweden)

    Li-Zhong Huang

    2013-01-01

    Full Text Available Collision between 2D circular particles suspension in Couette flow is simulated by using multiple-relaxation-time based lattice Boltzmann and direct forcing/fictitious domain method in this paper. The patterns of particle collisions are simulated and analyzed in detail by changing the velocity of top and bottom walls in the Couette flow. It can be seen from the simulation results that, while the velocity is large enough, the number of collisions between particles will change little as this velocity varies.

  5. Exploiting Restricted Boltzmann Machines and Deep Belief Networks in Compressed Sensing

    Science.gov (United States)

    Polania, Luisa F.; Barner, Kenneth E.

    2017-09-01

    This paper proposes a CS scheme that exploits the representational power of restricted Boltzmann machines and deep learning architectures to model the prior distribution of the sparsity pattern of signals belonging to the same class. The determined probability distribution is then used in a maximum a posteriori (MAP) approach for the reconstruction. The parameters of the prior distribution are learned from training data. The motivation behind this approach is to model the higher-order statistical dependencies between the coefficients of the sparse representation, with the final goal of improving the reconstruction. The performance of the proposed method is validated on the Berkeley Segmentation Dataset and the MNIST Database of handwritten digits.

  6. Cyclic Heating-Annealing and Boltzmann Distribution of Free Energies in a Spin-Glass System

    International Nuclear Information System (INIS)

    Zhou Haijun

    2007-01-01

    Ergodicity of a spin-glass is broken at low temperatures; the system is trapped in one of many ergodic configurational domains. Transitions between different ergodic domains are achievable through a heating-annealing procedure. If this experiment is repeated infinite times, all ergodic configurational domains will be visited with frequences that decreasing exponentially with their free energies. The mean free energy density of a spin-glass system on a random graph is calculated based on this free energy Boltzmann distribution in the present work, by means of the cavity approach.

  7. The Influence of Ernst Mach and Ludwig Boltzmann on Albert Einstein

    International Nuclear Information System (INIS)

    Broda, E.

    1979-01-01

    This document, written by Engelbert Broda in 1979, analyses the influence of Ernst Mach and Ludwig Boltzmann on Albert Einstein. Broda describes how Einstein and his scientific thinking benefited from Mach’s criticism on classical mechanics and its basic concepts like absolute time and absolute space. This criticism encouraged Einstein in the time he worked on his special relativity. On the other side Broda writes about the influence of Ludwig Boltzman, an atomist, whose scientific work and research prepared the ground for Einsteins work on the quantum-structure of electromagnetic radiation or the discovery of the photoelectric effect. (nowak)

  8. Multi-component Lattice Boltzmann simulation of the hydrodynamics in drip emitters

    Directory of Open Access Journals (Sweden)

    Giacomo Falcucci

    2017-09-01

    Full Text Available In this paper, we propose a fast and efficient numerical technique based on the Lattice Boltzmann method (LBM to model the flow through a reference drip emitter geometry. The aim of the study is to demonstrate the applicability of the LBM as a reliable simulation tool for the hydraulic optimisation of irrigation systems. Results for the water flow through a rectangular drip emitter are in good agreement with literature numerical and experimental data. Furthermore, we demonstrate the feasibility of the proposed model to simulate a multi-component flow that could be used to simulate the presence of additives, contaminants, and suspended particles.

  9. Lattice Boltzmann method for simulation of compressible flows on standard lattices.

    Science.gov (United States)

    Prasianakis, Nikolaos I; Karlin, Iliya V

    2008-07-01

    The recently introduced lattice Boltzmann model for thermal flow simulation on a standard lattice [Prasianakis and Karlin, Phys. Rev. E 76, 016702 (2007)] is studied numerically in the case where compressibility effects are essential. It is demonstrated that the speed of sound and shock propagation are described correctly in a wide temperature range, and that it is possible to take into account additional physics such as heat sources and sinks. A remarkable simplicity of the model makes it viable for engineering applications in subsonic flows with large temperature and density variations.

  10. Massively parallel simulations of multiphase- and multicomponent flows using lattice Boltzmann methods

    OpenAIRE

    Ahrenholz, Benjamin

    2009-01-01

    Die vorliegende Dissertation gibt im Wesentlichen die Arbeiten wieder, die im Rahmen des FIMOTUM Projektes durchgeführt worden sind, welches sich vornehmlich auf die Untersuchung von Transporteigenschaften in ungesättigten porösen Medien fokussierte. Hierfür wurde ein Software-Prototyp auf Basis der Gitter Boltzmann Methode (LBM) entwickelt und ausführlich validiert. Die vorgestellte LB-Methode basiert auf dem Multiple-Relaxation-Time (MRT) Modell und verwendet Fluid/Wand Randbedingungen mit ...

  11. Mathematical analysis of the Navier-Stokes equations with non standard boundary conditions

    Science.gov (United States)

    Tidriri, M. D.

    1995-01-01

    One of the major applications of the domain decomposition time marching algorithm is the coupling of the Navier-Stokes systems with Boltzmann equations in order to compute transitional flows. Another important application is the coupling of a global Navier-Stokes problem with a local one in order to use different modelizations and/or discretizations. Both of these applications involve a global Navier-Stokes system with nonstandard boundary conditions. The purpose of this work is to prove, using the classical Leray-Schauder theory, that these boundary conditions are admissible and lead to a well posed problem.

  12. Elliptic partial differential equations

    CERN Document Server

    Volpert, Vitaly

    If we had to formulate in one sentence what this book is about it might be "How partial differential equations can help to understand heat explosion, tumor growth or evolution of biological species". These and many other applications are described by reaction-diffusion equations. The theory of reaction-diffusion equations appeared in the first half of the last century. In the present time, it is widely used in population dynamics, chemical physics, biomedical modelling. The purpose of this book is to present the mathematical theory of reaction-diffusion equations in the context of their numerous applications. We will go from the general mathematical theory to specific equations and then to their applications. Mathematical anaylsis of reaction-diffusion equations will be based on the theory of Fredholm operators presented in the first volume. Existence, stability and bifurcations of solutions will be studied for bounded domains and in the case of travelling waves. The classical theory of reaction-diffusion equ...

  13. Nonlinear Dirac Equations

    Directory of Open Access Journals (Sweden)

    Wei Khim Ng

    2009-02-01

    Full Text Available We construct nonlinear extensions of Dirac's relativistic electron equation that preserve its other desirable properties such as locality, separability, conservation of probability and Poincaré invariance. We determine the constraints that the nonlinear term must obey and classify the resultant non-polynomial nonlinearities in a double expansion in the degree of nonlinearity and number of derivatives. We give explicit examples of such nonlinear equations, studying their discrete symmetries and other properties. Motivated by some previously suggested applications we then consider nonlinear terms that simultaneously violate Lorentz covariance and again study various explicit examples. We contrast our equations and construction procedure with others in the literature and also show that our equations are not gauge equivalent to the linear Dirac equation. Finally we outline various physical applications for these equations.

  14. Partial differential equations

    CERN Document Server

    Evans, Lawrence C

    2010-01-01

    This text gives a comprehensive survey of modern techniques in the theoretical study of partial differential equations (PDEs) with particular emphasis on nonlinear equations. The exposition is divided into three parts: representation formulas for solutions; theory for linear partial differential equations; and theory for nonlinear partial differential equations. Included are complete treatments of the method of characteristics; energy methods within Sobolev spaces; regularity for second-order elliptic, parabolic, and hyperbolic equations; maximum principles; the multidimensional calculus of variations; viscosity solutions of Hamilton-Jacobi equations; shock waves and entropy criteria for conservation laws; and, much more.The author summarizes the relevant mathematics required to understand current research in PDEs, especially nonlinear PDEs. While he has reworked and simplified much of the classical theory (particularly the method of characteristics), he primarily emphasizes the modern interplay between funct...

  15. Differential equations for dummies

    CERN Document Server

    Holzner, Steven

    2008-01-01

    The fun and easy way to understand and solve complex equations Many of the fundamental laws of physics, chemistry, biology, and economics can be formulated as differential equations. This plain-English guide explores the many applications of this mathematical tool and shows how differential equations can help us understand the world around us. Differential Equations For Dummies is the perfect companion for a college differential equations course and is an ideal supplemental resource for other calculus classes as well as science and engineering courses. It offers step-by-step techniques, practical tips, numerous exercises, and clear, concise examples to help readers improve their differential equation-solving skills and boost their test scores.

  16. 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...

  17. STEADY STATE AND PSEUDO-TRANSIENT ELECTRIC POTENTIAL USING THE POISSONBOLTZMANN EQUATION

    Directory of Open Access Journals (Sweden)

    L. C. dos Santos

    2015-03-01

    Full Text Available A method for analysis of the electric potential profile in saline solutions was developed for systems with one or two infinite flat plates. A modified Poisson-Boltzmann equation, taking into account nonelectrostatic interactions between ions and surfaces, was used. To solve the stated problem in the steady-state approach the finite-difference method was used. For the formulated pseudo-transient problem, we solved the set of ordinary differential equations generated from the algebraic equations of the stationary case. A case study was also carried out in relation to temperature, solution concentration, surface charge and salt-type. The results were validated by the stationary problem solution, which had also been used to verify the ionic specificity for different salts. The pseudo-transient approach allowed a better understanding of the dynamic behavior of the ion-concentration profile and other properties due to the surface charge variation.

  18. Reactimeter dispersion equation

    OpenAIRE

    A.G. Yuferov

    2016-01-01

    The aim of this work is to derive and analyze a reactimeter metrological model in the form of the dispersion equation which connects reactimeter input/output signal dispersions with superimposed random noise at the inlet. It is proposed to standardize the reactimeter equation form, presenting the main reactimeter computing unit by a convolution equation. Hence, the reactimeter metrological characteristics are completely determined by this unit hardware function which represents a transient re...

  19. Differential equations I essentials

    CERN Document Server

    REA, Editors of

    2012-01-01

    REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Differential Equations I covers first- and second-order equations, series solutions, higher-order linear equations, and the Laplace transform.

  20. The 'golden' algebraic equations

    International Nuclear Information System (INIS)

    Stakhov, A.; Rozin, B.

    2006-01-01

    The special case of the (p + 1)th degree algebraic equations of the kind x p+1 = x p + 1 (p = 1, 2, 3, ?) is researched in the present article. For the case p = 1, the given equation is reduced to the well-known Golden Proportion equation x 2 = x + 1. These equations are called the golden algebraic equations because the golden p-proportions τ p , special irrational numbers that follow from Pascal's triangle, are their roots. A research on the general properties of the roots of the golden algebraic equations is carried out in this article. In particular, formulas are derived for the golden algebraic equations that have degree greater than p + 1. There is reason to suppose that algebraic equations derived by the authors in the present article will interest theoretical physicists. For example, these algebraic equations could be found in the research of the energy relationships within the structures of many compounds and physical particles. For the case of butadiene (C 4 H 6 ), this fact is proved by the famous physicist Richard Feynman