Boltzmann equation and hydrodynamic fluctuations.
Colangeli, Matteo; Kröger, Martin; Ottinger, Hans Christian
2009-11-01
We apply the method of invariant manifolds to derive equations of generalized hydrodynamics from the linearized Boltzmann equation and determine exact transport coefficients, obeying Green-Kubo formulas. Numerical calculations are performed in the special case of Maxwell molecules. We investigate, through the comparison with experimental data and former approaches, the spectrum of density fluctuations and address the regime of finite Knudsen numbers and finite frequencies hydrodynamics. PMID:20364972
Boltzmann equation and hydrodynamic fluctuations
Colangeli, M.; Kroger, M.; Ottinger, H. C.
2009-01-01
We apply the method of invariant manifolds to derive equations of generalized hydrodynamics from the linearized Boltzmann equation and determine exact transport coefficients, obeying Green-Kubo formulas. Numerical calculations are performed in the special case of Maxwell molecules. We investigate, through the comparison with experimental data and former approaches, the spectrum of density fluctuations and address the regime of finite Knudsen numbers and finite frequencies hydrodynamics.
Quantum corrections for Boltzmann equation
Institute of Scientific and Technical Information of China (English)
M.; Levy; PETER
2008-01-01
We present the lowest order quantum correction to the semiclassical Boltzmann distribution function,and the equation satisfied by this correction is given. Our equation for the quantum correction is obtained from the conventional quantum Boltzmann equation by explicitly expressing the Planck constant in the gradient approximation,and the quantum Wigner distribution function is expanded in pow-ers of Planck constant,too. The negative quantum correlation in the Wigner dis-tribution function which is just the quantum correction terms is naturally singled out,thus obviating the need for the Husimi’s coarse grain averaging that is usually done to remove the negative quantum part of the Wigner distribution function. We also discuss the classical limit of quantum thermodynamic entropy in the above framework.
Kinetic Boltzmann, Vlasov and Related Equations
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
An introduction to the theory of the Boltzmann equation
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
The Quantum Boltzmann Equation in Semiconductor Physics
Snoke, D. W.
2010-01-01
The quantum Boltzmann equation, or Fokker-Planck equation, has been used to successfully explain a number of experiments in semiconductor optics in the past two decades. This paper reviews some of the developments of this work, including models of excitons in bulk materials, electron-hole plasmas, and polariton gases.
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.
The Boltzmann equation in the difference formulation
International Nuclear Information System (INIS)
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.
The Non-Classical Boltzmann Equation, and Diffusion-Based Approximations to the Boltzmann Equation
Frank, Martin; Larsen, Edward W; Vasques, Richard
2014-01-01
We show that several diffusion-based approximations (classical diffusion or SP1, SP2, SP3) to the linear Boltzmann equation can (for an infinite, homogeneous medium) be represented exactly by a non-classical transport equation. As a consequence, we indicate a method to solve diffusion-based approximations to the Boltzmann equation via Monte Carlo, with only statistical errors - no truncation errors.
Classical non-Markovian Boltzmann equation
Energy Technology Data Exchange (ETDEWEB)
Alexanian, Moorad, E-mail: alexanian@uncw.edu [Department of Physics and Physical Oceanography, University of North Carolina Wilmington, Wilmington, North Carolina 28403-5606 (United States)
2014-08-01
The modeling of particle transport involves anomalous diffusion, (x²(t) ) ∝ t{sup α} with α ≠ 1, with subdiffusive transport corresponding to 0 < α < 1 and superdiffusive transport to α > 1. These anomalies give rise to fractional advection-dispersion equations with memory in space and time. The usual Boltzmann equation, with only isolated binary collisions, is Markovian and, in particular, the contributions of the three-particle distribution function are neglected. We show that the inclusion of higher-order distribution functions give rise to an exact, non-Markovian Boltzmann equation with resulting transport equations for mass, momentum, and kinetic energy with memory in both time and space. The two- and the three-particle distribution functions are considered under the assumption that the two- and the three-particle correlation functions are translationally invariant that allows us to obtain advection-dispersion equations for modeling transport in terms of spatial and temporal fractional derivatives.
Pair Production in the Quantum Boltzmann Equation
Rau, Jochen
1994-01-01
A source term in the quantum Boltzmann equation, which accounts for the spontaneous creation of $e^+e^-$-pairs in external electric fields, is derived from first principles and evaluated numerically. Careful analysis of time scales reveals that this source term is generally non-Markovian. This implies in particular that there may be temporary violations of the $H$-theorem.
Lattice Boltzmann Model and Geophysical Hydrodynamic Equation
Institute of Scientific and Technical Information of China (English)
冯士德; 杨京龙; 郜宪林; 季仲贞
2002-01-01
A lattice Boltzmann equation model in a rotating system is developed by introducing the Coriolis force effect.The geophysical hydrodynamic equation can be derived from this model. Numerical computations are performed to simulate the cylindrical annulus experiment and Benard convection. The numerical results have shown the flow behaviour of large-scale geostrophic current and Benard convection cells, which verifies the applicability of this model to both theory and experiment.
Rigorous Navier-Stokes Limit of the Lattice Boltzmann Equation
Junk, Michael; Yong, Wen-An
2001-01-01
Here we riqorously investigate the diffusive limit of a velocity-discrete Boltzmann equation which is used in the lattice Boltzmann method to construct approximate solutions of the incompressible Navier-Stokes equation.
On the full Boltzmann equations for Leptogenesis
Garayoa, J; Pinto, T; Rius, N; Vives, O
2009-01-01
We consider the full Boltzmann equations for standard and soft leptogenesis, instead of the usual integrated Boltzmann equations which assume kinetic equilibrium for all species. Decays and inverse decays may be inefficient for thermalising the heavy-(s)neutrino distribution function, leading to significant deviations from kinetic equilibrium. We analyse the impact of using the full kinetic equations in the case of a previously generated lepton asymmetry, and find that the washout of this initial asymmetry due to the interactions of the right-handed neutrino is larger than when calculated via the integrated equations. We also solve the full Boltzmann equations for soft leptogenesis, where the lepton asymmetry induced by the soft SUSY-breaking terms in sneutrino decays is a purely thermal effect, since at T=0 the asymmetry in leptons cancels the one in sleptons. In this case, we obtain that in the weak washout regime (K ~< 1) the final lepton asymmetry can change up to a factor four with respect to previous...
Test of Information Theory on the Boltzmann Equation
Hyeon-Deuk, Kim; Hayakawa, Hisao
2002-01-01
We examine information theory using the steady-state Boltzmann equation. In a nonequilibrium steady-state system under steady heat conduction, the thermodynamic quantities from information theory are calculated and compared with those from the steady-state Boltzmann equation. We have found that information theory is inconsistent with the steady-state Boltzmann equation.
Test of Information Theory on the Boltzmann Equation
Kim, Hyeon-Deuk; Hayakawa, Hisao
2003-01-01
We examine information theory using the steady-state Boltzmann equation. In a nonequilibrium steady-state system under steady heat conduction, the thermodynamic quantities from information theory are calculated and compared with those from the steady-state Boltzmann equation. We have found that information theory is inconsistent with the steady-state Boltzmann equation.
The Milne problem for the Boltzmann equation
International Nuclear Information System (INIS)
Existence, uniqueness and asymptotic properties are proved for the solution of the Milne problem for the Boltzmann equation, in which the incoming velocity distribution and the total mass flux are specified arbitrarily. The collision law corresponds to a hard sphere gas. The solution uses energy estimates and is similar to that of Bardos, Santos and Sentis for neutron transport. From the Milne problem one can then easily deduce the solution of the Kramers problem
A Fluctuating Lattice Boltzmann Method for the Diffusion Equation
Wagner, Alexander J
2016-01-01
We derive a fluctuating lattice Boltzmann method for the diffusion equation. The derivation removes several shortcomings of previous derivations for fluctuating lattice Boltzmann methods for hydrodynamic systems. The comparative simplicity of this diffusive system highlights the basic features of this first exact derivation of a fluctuating lattice Boltzmann method.
Energy Technology Data Exchange (ETDEWEB)
Stoenescu, M.L.
1977-06-01
The terms in Boltzmann kinetic equation corresponding to elastic short range collisions, inelastic excitational collisions, coulomb interactions and electric field acceleration are evaluated numerically for a standard distribution function minimizing the computational volume by expressing the terms as linear combinations with recalculable coefficients, of the distribution function and its derivatives. The present forms are suitable for spatial distribution calculations.
The relativistic linear Boltzmann transport equation
International Nuclear Information System (INIS)
In this thesis the relativistic linear Boltzmann transport equation is applied to an experiment in pion production by 740 MeV protons incident on a variety of nuclei. This equation is solved by the Monte Carlo method of generating a single particle intranuclear cascade. The transport equation is derived starting with the N-body equation of motion for quantum mechanics in phase in order to determine under what conditions it is a valid approximation. It is shown that it should be a valid semi-classical approximation provided that: (1) The kinetic energy of the transport particle is much greater than its energy of interaction with the mean nuclear potential field. (2) The two-body collision interactions which make up the single particle intranuclear cascade take place over space and time intervals which are small relative to the internucleon space and time intervals for interactions within the nucleus and also compared to the space and time scales over which the probability distribution undergoes variation. In the pion production calculation condition (2) is only approximately met but reasonable agreement with the experimental data is obtained similar to that obtained in other theoretical calculations compared to this experiment
Scattering theory for the linearized Boltzmann equation
International Nuclear Information System (INIS)
Scattering theory for a cloud of mutually non-interacting particles that in its passage through R3 undergoes absorption and production in a region D is contained in R3 through interaction with the medium in D is investigated. The motion for such a model is given by the linearized Boltzmann equation. Let n(x,v,t) denote the particle density in phase space at time t. The dynamics is described by a 1-parameter semigroup, W(t), which is in general not isometric. The existence of the wave operators Ω/sub +/ = s - lim W0(-t)W(t) (t →+infinity) and Ω/sub -/ = s - lim W(-t)W0(t) (t →-infinity), where W0(t) is the free dynamics, is examined at length
Asymptotic-preserving Boltzmann model equations for binary gas mixture
Liu, Sha; Liang, Yihua
2016-02-01
An improved system of Boltzmann model equations is developed for binary gas mixture. This system of model equations has a complete asymptotic preserving property that can strictly recover the Navier-Stokes equations in the continuum limit with the correct constitutive relations and the correct viscosity, thermal conduction, diffusion, and thermal diffusion coefficients. In this equation system, the self- and cross-collision terms in Boltzmann equations are replaced by single relaxation terms. In monocomponent case, this system of equations can be reduced to the commonly used Shakhov equation. The conservation property and the H theorem which are important for model equations are also satisfied by this system of model equations.
Analysis of Jeans instability from Boltzmann equation
Kremer, Gilberto M
2015-01-01
The dynamics of self-gravitating fluids is analyzed within the framework of a collisionless Boltzmann equation in the presence of gravitational fields and Poisson equation. The equilibrium distribution function takes into account the expansion of the Universe and a pressureless fluid in the matter dominated Universe. Without invoking Jeans "swindle" a dispersion relation is obtained by considering small perturbations of the equilibrium values of the distribution function and gravitational potential. The collapse criterion -- which happens in an unstable region where the solution grows exponentially with time -- is determined from the dispersion relation. The collapse criterion in a static Universe occurs when the wavenumber $k$ is smaller than the Jeans wavenumber $k_J$, which was the solution found by Jeans. For an expanding Universe it is shown that this criterion is $k\\leq\\sqrt{7/6}\\,k_J$. As a consequence the ratio of the mass contained in a sphere of diameter equal to the wavelength $\\lambda=2\\pi/k$ to t...
Exact results for the Boltzmann equation and Smoluchowski's coagulation equation
International Nuclear Information System (INIS)
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.)
Linearized Boltzmann Equation and Hydrodynamics for Granular Gases
Brey, J. Javier; Dufty, James W.; Ruiz-Montero, M. J.
2003-01-01
The linearized Boltzmann equation is considered to describe small spatial perturbations of the homogeneous cooling state. The corresponding macroscopic balance equations for the density, temperature, and flow velocity are derived from it as the basis for a hydrodynamic description. Hydrodynamics is defined in terms of the spectrum of the generator for the dynamics of the linearized Boltzmann equation. The hydrodynamic eigenfunctions and eigenvalues are calculated in the long wavelength limit....
Thermal equation of state for lattice Boltzmann gases
Institute of Scientific and Technical Information of China (English)
Ran Zheng
2009-01-01
The Galilean invaxiance and the induced thermo-hydrodynamics of the lattice Boltzmann Bhatnagar-Gross-Krook model axe proposed together with their rigorous theoretical background. From the viewpoint of group invariance,recovering the Galilean invariance for the isothermal lattice Boltzmann Bhatnagar-Gross-Krook equation (LBGKE) induces a new natural thermal-dynamical system, which is compatible with the elementary statistical thermodynamics.
Thermal equation of state for lattice Boltzmann gases
Ran, Zheng
2009-06-01
The Galilean invariance and the induced thermo-hydrodynamics of the lattice Boltzmann Bhatnagar-Gross-Krook model are proposed together with their rigorous theoretical background. From the viewpoint of group invariance, recovering the Galilean invariance for the isothermal lattice Boltzmann Bhatnagar-Gross-Krook equation (LBGKE) induces a new natural thermal-dynamical system, which is compatible with the elementary statistical thermodynamics.
A probabilistic view on the general relativistic Boltzmann equation
Bailleul, Ismael
2011-01-01
A new probalistic approach to general relativistic kinetic theory is proposed. The general relativistic Boltzmann equation is linked to a new Markov process in a completely intrinsic way. This treatment is then used to prove the causal character of the relativistic Boltzmann model.
Langevin theory of fluctuations in the discrete Boltzmann equation
Gross, M; Varnik, F; Adhikari, R
2010-01-01
The discrete Boltzmann equation for both the ideal and a non-ideal fluid is extended by adding Langevin noise terms in order to incorporate the effects of thermal fluctuations. After casting the fluctuating discrete Boltzmann equation in a form appropriate to the Onsager-Machlup theory of linear fluctuations, the statistical properties of the noise are determined by invoking a fluctuation-dissipation theorem at the kinetic level. By integrating the fluctuating discrete Boltzmann equation, the fluctuating lattice Boltzmann equation is obtained, which provides an efficient way to solve the equations of fluctuating hydrodynamics for ideal and non-ideal fluids. Application of the framework to a generic force-based non-ideal fluid model leads to ideal gas-type thermal noise. Simulation results indicate proper thermalization of all degrees of freedom.
On the linearized relativistic Boltzmann equation. II. Existence of hydrodynamics
International Nuclear Information System (INIS)
Solutions are analyzed of the linearized relativistic Boltzmann equation for initial data from L2(r, p) in long-time and/or small-mean-free-path limits. In both limits solutions of this equation converge to approximate ones constructed with solutions of the set of differential equations called the equations of relativistic hydrodynamics
Second-order Boltzmann equation: gauge dependence and gauge invariance
International Nuclear Information System (INIS)
In the context of cosmological perturbation theory, we derive the second-order Boltzmann equation describing the evolution of the distribution function of radiation without a specific gauge choice. The essential steps in deriving the Boltzmann equation are revisited and extended given this more general framework: (i) the polarization of light is incorporated in this formalism by using a tensor-valued distribution function; (ii) the importance of a choice of the tetrad field to define the local inertial frame in the description of the distribution function is emphasized; (iii) we perform a separation between temperature and spectral distortion, both for the intensity and polarization for the first time; (iv) the gauge dependence of all perturbed quantities that enter the Boltzmann equation is derived, and this enables us to check the correctness of the perturbed Boltzmann equation by explicitly showing its gauge-invariance for both intensity and polarization. We finally discuss several implications of the gauge dependence for the observed temperature. (paper)
Second order Boltzmann equation : gauge dependence and gauge invariance
Naruko, Atsushi; Koyama, Kazuya; Sasaki, Misao
2013-01-01
In the context of cosmological perturbation theory, we derive the second order Boltzmann equation describing the evolution of the distribution function of radiation without a specific gauge choice. The essential steps in deriving the Boltzmann equation are revisited and extended given this more general framework: i) the polarisation of light is incorporated in this formalism by using a tensor-valued distribution function; ii) the importance of a choice of the tetrad field to define the local inertial frame in the description of the distribution function is emphasized; iii) we perform a separation between temperature and spectral distortion, both for the intensity and for polarisation for the first time; iv) the gauge dependence of all perturbed quantities that enter the Boltzmann equation is derived, and this enables us to check the correctness of the perturbed Boltzmann equation by explicitly showing its gauge-invariance for both intensity and polarization. We finally discuss several implications of the gaug...
Philippi, P C; Surmas, R; Philippi, Paulo Cesar; Santos, Luis Orlando Emerich dos; Surmas, Rodrigo
2005-01-01
The particles model, the collision model, the polynomial development used for the equilibrium distribution, the time discretization and the velocity discretization are factors that let the lattice Boltzmann framework (LBM) far away from its conceptual support: the continuous Boltzmann equation (BE). Most collision models are based on the BGK, single parameter, relaxation-term leading to constant Prandtl numbers. The polynomial expansion used for the equilibrium distribution introduces an upper-bound in the local macroscopic speed. Most widely used time discretization procedures give an explicit numerical scheme with second-order time step errors. In thermal problems, quadrature did not succeed in giving discrete velocity sets able to generate multi-speed regular lattices. All these problems, greatly, difficult the numerical simulation of LBM based algorithms. In present work, the systematic derivation of lattice-Boltzmann models from the continuous Boltzmann equation is discussed. The collision term in the li...
Analysis of spectral methods for the homogeneous Boltzmann equation
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.
The Boltzmann-Hamel Equations for Optimal Control
Maruskin, Jared M.; Bloch, Anthony M.
2007-01-01
We extend the Boltzmann-Hamel equations to the optimal control setting, producing a set of equations for both kinematic and dynamic nonholonomic optimal control problems. In particular, we will show the dynamic optimal control problem can be written as a minimal set of 4n-2m first order differential equations of motion.
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 the...
Celebrating Cercignani's conjecture for the Boltzmann equation
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.
The Boltzmann equation theory of charged particle transport
International Nuclear Information System (INIS)
It is shown how a formally exact Kubo-like response theory equivalent to the Boltzmann equation theory of charged particle transport can be constructed. The response theory gives the general wavevector and time-dependent velocity distribution at any time in terms of an initial distribution function, to which is added the response induced by a generalized perturbation over the intervening time. The usual Kubo linear response result for the distribution function is recovered by choosing the initial velocity distribution to be Maxwellian. For completeness the response theory introduces an exponential convergence function into the response time integral. This is equivalent to using a modified Boltzmann equation but the general form of the transport theory is not changed. The modified transport theory can be used to advantage where possible convergence difficulties occur in numerical solutions of the Boltzmann equation. This paper gives a systematic development of the modified transport theory and shows how the response theory fits into the broader scheme of solving the Boltzmann equation. The discussion extends both the work of Kumar et al. (1980), where the distribution function is expanded out in terms of tensor functions, and the propagator description where the non-hydrodynamic time development of the distribution function is related to the wavevector dependent Green function of the Boltzmann equation
Existence of the scattering operator for the linear Boltzmann equation
International Nuclear Information System (INIS)
Existence theorems are proven in a study of the scattering problem for the linear Boltzmann equation (transport equation), describing the motion of a cloud of nonself-interacting particles (neutrons) in phase space. Also Simon's weak coupling result is discussed, and a meaningful wave operator in the presence of trapped particles is defined and its existence proven. 7 references
Celebrating Cercignani's conjecture for the Boltzmann equation
Desvillettes, Laurent; Villani, Cédric
2010-01-01
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.
Axisymmetric multiphase Lattice Boltzmann method for generic equations of state
Reijers, Sten A; Toschi, Federico
2015-01-01
We present an axisymmetric lattice Boltzmann model based on the Kupershtokh et al. multiphase model that is capable of solving liquid-gas density ratios up to $10^3$. Appropriate source terms are added to the lattice Boltzmann evolution equation to fully recover the axisymmetric multiphase conservation equations. We validate the model by showing that a stationary droplet obeys the Young-Laplace law, comparing the second oscillation mode of a droplet with respect to an analytical solution and showing correct mass conservation of a propagating density wave.
From the Boltzmann Equation to the Euler Equations in the Presence of Boundaries
Golse, François
2011-01-01
The fluid dynamic limit of the Boltzmann equation leading to the Euler equations for an incompressible fluid with constant density in the presence of material boundaries shares some important features with the better known inviscid limit of the Navier-Stokes equations. The present paper slightly extends recent results from [C. Bardos, F. Golse, L. Paillard, Comm. Math. Sci., 10 (2012), 159--190] to the case of boundary conditions for the Boltzmann equation more general than Maxwell's accomodation condition.
From the Boltzmann Equation to the Euler Equations in the Presence of Boundaries
Golse, François
2011-01-01
The fluid dynamic limit of the Boltzmann equation leading to the Euler equations for an incompressible fluid with constant density in the presence of material boundaries shares some important features with the better known inviscid limit of the Navier-Stokes equations. The present paper slightly extends recent results from [C. Bardos, F. Golse, L. Paillard, Comm. Math. Sci., 10 (2012), 159--190] to the case of boundary conditions for the Boltzmann equation more general than Maxwell's accomoda...
Thermal creep problems by the discrete Boltzmann equation
Directory of Open Access Journals (Sweden)
L. Preziosi
1991-05-01
Full Text Available This paper deals with an initial-boundary value problem for the discrete Boltzmann equation confined between two moving walls at different temperature. A model suitable for the quantitative analysis of the initial boundary value problem and the relative existence theorem are given.
Weighted particle method for solving the Boltzmann equation
International Nuclear Information System (INIS)
We propose a new, deterministic, method of solution of the nuclear Boltzmann equation. In this Weighted Particle Method two-body collisions are treated by a Master equation for an occupation probability of each numerical particle. We apply the method to the quadrupole motion of 12C. A comparison with usual stochastic methods is made. Advantages and disadvantages of the Weighted Particle Method are discussed
Derivation of anisotropic dissipative fluid dynamics from the Boltzmann equation
Molnar, E.; Niemi, H.; Rischke, D. H.
2016-01-01
Fluid-dynamical equations of motion can be derived from the Boltzmann equation in terms of an expansion around a single-particle distribution function which is in local thermodynamical equilibrium, i.e., isotropic in momentum space in the rest frame of a fluid element. However, in situations where the single-particle distribution function is highly anisotropic in momentum space, such as the initial stage of heavy-ion collisions at relativistic energies, such an expansion is bound to break dow...
The Nonclassical Diffusion Approximation to the Nonclassical Linear Boltzmann Equation
Vasques, Richard
2015-01-01
We show that, by correctly selecting the probability distribution function $p(s)$ for a particle's distance-to-collision, the nonclassical diffusion equation can be represented exactly by the nonclassical linear Boltzmann equation for an infinite homogeneous medium. This choice of $p(s)$ preserves the $true$ mean-squared free path of the system, which sheds new light on the results obtained in previous work.
On generalized Boltzmann equations for reacting systems
Veguillas, Juan; Rivas, Martin
A quantum-statistical treatment of chemical kinetics is presented which does not differ between non-reactive scattering and rearrangement processes. This treatment is done in such a way that the standard methods of nonequilibrium statistical mechanics become applicable. Kinetics equations of the Waldmann-Snider, and Wang Chang and Uhlenbeck type are derived for the reduced density operator of different species related to an homo-geneous, dilute gaseous system of the type AB+C⇌2AC+B⇌2BC+A. Global rate coefficients for the different rearrangement processes are defined and derived when starting with Waldmann-Snider type equations.
Shock-wave structure using nonlinear model Boltzmann equations.
Segal, B. M.; Ferziger, J. H.
1972-01-01
The structure of strong plane shock waves in a perfect monatomic gas was studied using four nonlinear models of the Boltzmann equation. The models involved the use of a simplified collision operator with velocity-independent collision frequency, in place of the complicated Boltzmann collision operator. The models employed were the BGK and ellipsoidal models developed by earlier authors, and the polynomial and trimodal gain function models developed during the work. An exact set of moment equations was derived for the density, velocity, temperature, viscous stress, and heat flux within the shock. This set was reduced to a pair of coupled nonlinear integral equations and solved using specially adapted numerical techniques. A new and simple Gauss-Seidel iteration was developed during the work and found to be as efficient as the best earlier iteration methods.
Solving the Homogeneous Boltzmann Equation with Arbitrary Scattering Kernel
Hohenegger, A
2008-01-01
With applications in astroparticle physics in mind, we generalize a method for the solution of the nonlinear, space homogeneous Boltzmann equation with isotropic distribution function to arbitrary matrix elements. The method is based on the expansion of the matrix element in terms of two cosines of the "scattering angles". The scattering functions used by previous authors in particle physics for matrix elements in Fermi-approximation are retrieved as lowest order results in this expansion. The method is designed for the unified treatment of reactive mixtures of particles obeying different scattering laws, including the quantum statistical terms for blocking or stimulated emission, in possibly large networks of Boltzmann equations. Although our notation is the relativistic one, as it is used in astroparticle physics, the results can also be applied in the classical case.
Solving the homogeneous Boltzmann equation with arbitrary scattering kernel
International Nuclear Information System (INIS)
With applications in astroparticle physics in mind, we generalize a method for the solution of the nonlinear, space-homogeneous Boltzmann equation with an isotropic distribution function to arbitrary matrix elements. The method is based on the expansion of the scattering kernel in terms of two cosines of the 'scattering angles'. The scattering functions used by previous authors in particle physics for matrix elements in the Fermi approximation are retrieved as lowest order results in this expansion. The method is designed for the unified treatment of reactive mixtures of particles obeying different scattering laws, including the quantum statistical terms for blocking or stimulated emission, in possibly large networks of Boltzmann equations. Although our notation is the relativistic one, as it is used in astroparticle physics, the results can also be applied in the classical case.
Dynamics of annihilation. I. Linearized Boltzmann equation and hydrodynamics.
García de Soria, María Isabel; Maynar, Pablo; Schehr, Grégory; Barrat, Alain; Trizac, Emmanuel
2008-05-01
We study the nonequilibrium statistical mechanics of a system of freely moving particles, in which binary encounters lead either to an elastic collision or to the disappearance of the pair. Such a system of ballistic annihilation therefore constantly loses particles. The dynamics of perturbations around the free decay regime is investigated using the spectral properties of the linearized Boltzmann operator, which characterize linear excitations on all time scales. The linearized Boltzmann equation is solved in the hydrodynamic limit by a projection technique, which yields the evolution equations for the relevant coarse-grained fields and expressions for the transport coefficients. We finally present the results of molecular dynamics simulations that validate the theoretical predictions. PMID:18643046
Solving the Homogeneous Boltzmann Equation with Arbitrary Scattering Kernel
Hohenegger, A.
2008-01-01
With applications in astroparticle physics in mind, we generalize a method for the solution of the nonlinear, space homogeneous Boltzmann equation with isotropic distribution function to arbitrary matrix elements. The method is based on the expansion of the matrix element in terms of two cosines of the "scattering angles". The scattering functions used by previous authors in particle physics for matrix elements in Fermi-approximation are retrieved as lowest order results in this expansion. Th...
Non-linear effects in the Boltzmann equation
International Nuclear Information System (INIS)
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.)
On half-space problems for the discrete Boltzmann equation
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We study typical half-space problems of rarefied gas dynamics, including the problems of Milne and Kramer, for the discrete Boltzmann equation (a general discrete velocity model, DVM, with an arbitrary finite number of velocities). Then the discrete Boltzmann equation reduces to a system of Odes. The data for the outgoing particles at the boundary are assigned, possibly linearly depending on the data for the incoming particles. A classification of well-posed half-space problems for the homogeneous, as well as the inhomogeneous, linearized discrete Boltzmann equation is made. In the non-linear case the solutions are assumed to tend to an assigned Maxwellian at infinity. The conditions on the data at the boundary needed for the existence of a unique (in a neighborhood of the assigned Maxwellian) solution of the problem are investigated. In the non-degenerate case (corresponding, in the continuous case, to the case when the Mach number at the Maxwellian at infinity is different of (1, 0 and 1) implicit conditions are found. Furthermore, under certain assumptions explicit conditions are found, both in the non-degenerate and degenerate cases. An application to axially symmetric models is also studied.
LATTICE BOLTZMANN EQUATION MODEL IN THE CORIOLIS FIELD
Institute of Scientific and Technical Information of China (English)
FENG SHI-DE; MAO JIANG-YU; ZHANG QIONG
2001-01-01
In a large-scale field of rotational fluid, various unintelligible and surprising dynamic phenomena are produced due to the effect of the Coriolis force. The lattice Boltzmann equation (LBE) model in the Coriolis field is developed based on previous works.[1-4] Geophysical fluid dynamics equations are derived from the model. Numerical simulations have been made on an ideal atmospheric circulation of the Northern Hemisphere by using the model and they reproduce the Rossby wave motion well. Hence the applicability of the model is verified in both theory and experiment.
Derivation of anisotropic dissipative fluid dynamics from the Boltzmann equation
Molnár, Etele; Niemi, Harri; Rischke, Dirk H.
2016-06-01
Fluid-dynamical equations of motion can be derived from the Boltzmann equation in terms of an expansion around a single-particle distribution function which is in local thermodynamical equilibrium, i.e., isotropic in momentum space in the rest frame of a fluid element. However, in situations where the single-particle distribution function is highly anisotropic in momentum space, such as the initial stage of heavy-ion collisions at relativistic energies, such an expansion is bound to break down. Nevertheless, one can still derive a fluid-dynamical theory, called anisotropic dissipative fluid dynamics, in terms of an expansion around a single-particle distribution function, f^0 k, which incorporates (at least parts of) the momentum anisotropy via a suitable parametrization. We construct such an expansion in terms of polynomials in energy and momentum in the direction of the anisotropy and of irreducible tensors in the two-dimensional momentum subspace orthogonal to both the fluid velocity and the direction of the anisotropy. From the Boltzmann equation we then derive the set of equations of motion for the irreducible moments of the deviation of the single-particle distribution function from f^0 k. Truncating this set via the 14-moment approximation, we obtain the equations of motion of anisotropic dissipative fluid dynamics.
Lattice Boltzmann method for the fractional advection-diffusion equation
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.
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We consider the splitting of the straight-ahead Boltzmann transport equation in the Boltzmann-Fokker-Planck equation, decomposing the differential cross-section into a singular part, corresponding to small energy transfer events, and in a regular one, which corresponds to large energy transfer. The convergence of implantation profile, nuclear and electronic energy depositions, calculated from the Boltzmann-Fokker-Planck equation, to the respective exact distributions, calculated from Monte-Carlo method, was exanimate in a large-energy interval for various values of splitting parameter and for different ion-target mass relations. It is shown that for the universal potential there exists an optimal value of splitting parameter, for which range and deposited energy distributions, calculated from the Boltzmann-Fokker-Planck equation, accurately approximate the exact distributions and which minimizes the computational expenses
Hydrodynamic limit with geometric correction of stationary Boltzmann equation
Wu, Lei
2016-05-01
We consider the hydrodynamic limit of a stationary Boltzmann equation in a unit plate with in-flow boundary. The classical theory claims that the solution can be approximated by the sum of interior solution which satisfies steady incompressible Navier-Stokes-Fourier system, and boundary layer derived from Milne problem. In this paper, we construct counterexamples to disprove such formulation in L∞ both for its proof and result. Also, we show the hydrodynamic limit with a different boundary layer expansion with geometric correction.
Existence of the scattering matrix for the linearized Boltzmann equation
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Following Hejtmanek, we consider neutrons in infinite space obeying a linearized Boltzmann equation describing their interaction with matter in some compact set D. We prove existence of the S-matrix and subcriticality of the dynamics in the (weak-coupling) case where the mean free path is larger than the diameter of D uniform in the velocity. We prove existence of the S-matrix also for the case where D is convex and filled with uniformly absorbent material. In an appendix, we present an explicit example where the dynamics is not invertible on L+1, the cone of positive elements in L1. (orig.)
Pointwise Behavior of the Linearized Boltzmann Equation on Torus
Wu, Kung-Chien
2013-01-01
We study the pointwise behavior of the linearized Boltzmann equation on torus for non-smooth initial perturbation. The result reveals both the fluid and kinetic aspects of this model. The fluid-like waves are constructed as part of the long-wave expansion in the spectrum of the Fourier mode for the space variable, the time decay rate of the fluid-like waves depends on the size of the domain. We design a Picard-type iteration for constructing the increasingly regular kinetic-like waves, which ...
A hybrid method for the solution of linear Boltzmann equation
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Highlights: • The paper presents a novel method for the solution of linear Boltzmann equation. • The hybrid method, based on multiple collisions, combines transport with diffusion. • The physical basis of the method is discussed together with the mathematical model. • Results show its performance in terms of accuracy and computational time. • The extension of the method to more general configurations is discussed. - Abstract: This paper presents a novel approach devised to solve the transport of neutral particles in scattering and absorbing media. The solution to the linear Boltzmann equation is sought starting from a multi-collision approach of the integro-differential equation which is combined with an approximate model for the description of the residue after truncation of the Neumann series. In the paper, the theoretical basis of such hybrid method is discussed together with the physical intuition at the basis of the methodology. Results for both steady-state and transient problems are presented and an extension to general multi-dimensional, anisotropic problem is reported
Supersymmetric electroweak baryogenesis, nonequilibrium field theory and quantum Boltzmann equations
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...
Generalizing the Boltzmann equation in complex phase space.
Zadehgol, Abed
2016-08-01
In this work, a generalized form of the BGK-Boltzmann equation is proposed, where the velocity, position, and time can be represented by real or complex variables. The real representation leads to the conventional BGK-Boltzmann equation, which can recover the continuity and Navier-Stokes equations. We show that the complex representation yields a different set of equations, and it can also recover the conservation and Navier-Stokes equations, at low Mach numbers, provided that the imaginary component of the macroscopic mass can be neglected. We briefly review the Constant Speed Kinetic Model (CSKM), which was introduced in Zadehgol and Ashrafizaadeh [J. Comp. Phys. 274, 803 (2014)JCTPAH0021-999110.1016/j.jcp.2014.06.053] and Zadehgol [Phys. Rev. E 91, 063311 (2015)PLEEE81539-375510.1103/PhysRevE.91.063311]. The CSKM is then used as a basis to show that the complex-valued equilibrium distribution function of the present model can be identified with a simple singularity in the complex phase space. The virtual particles, in the present work, are concentrated on virtual "branes" which surround the computational nodes. Employing the Cauchy integral formula, it is shown that certain variations of the "branes," in the complex phase space, do not affect the local kinetic states. This property of the new model, which is referred to as the "apparent jumps" in the present work, is used to construct new models. The theoretical findings have been tested by simulating three benchmark flows. The results of the present simulations are in excellent agreement with the previous results reported by others. PMID:27627421
Reciprocal relations based on the non-stationary Boltzmann equation
Sharipov, Felix
2012-03-01
The reciprocal relations for open gaseous systems are obtained on the basis of main properties of the non-stationary Boltzmann equation and gas-surface interaction law. It is shown that the main principles to derive the kinetic coefficients satisfying the reciprocal relations remain the same as those used for time-independent gaseous systems [F. Sharipov, Onsager-Casimir reciprocal relations based on the Boltzmann equation and gas-surface interaction law single gas, Phys. Rev. 73 (2006) 026110]. First, the kinetic coefficients are obtained from the entropy production expression; then it is proved that the coefficient matrix calculated for time reversed source functions is symmetric. The proof is based on the reversibility of the gas-gas and gas-surface interactions. Three examples of applications of the present theory are given. None of these examples can be treated in the frame of the classical Onsager-Casimir reciprocal relations, which are valid only in a particular case, when the kinetic coefficients are odd or even with respect to the time reversion. The approach is generalized for gaseous mixtures.
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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)
Boltzmann Equation Solver Adapted to Emergent Chemical Non-equilibrium
Birrell, Jeremiah
2014-01-01
We present a novel method to solve the spatially homogeneous and isotropic relativistic Boltzmann equation. We employ a basis set of orthogonal polynomials dynamically adapted to allow emergence of chemical non-equilibrium. Two time dependent parameters characterize the set of orthogonal polynomials, the effective temperature $T(t)$ and phase space occupation factor $\\Upsilon(t)$. In this first paper we address (effectively) massless fermions and derive dynamical equations for $T(t)$ and $\\Upsilon(t)$ such that the zeroth order term of the basis alone captures the number density and energy density of each particle distribution. We validate our method and illustrate the reduced computational cost and the ability to represent final state chemical non-equilibrium by studying a model problem that is motivated by the physics of the neutrino freeze-out processes in the early Universe, where the essential physical characteristics include reheating from another disappearing particle component ($e^\\pm$-annihilation).
Kapitza conductance, temperature gradients, and solutions to the Boltzmann equation
International Nuclear Information System (INIS)
In the belief that the study of heat transport requires the study of the transport equation, we present an approach to the problem of the Kapitza conductance h/subK/ between two materials which involves the solutions of the Boltzmann equation. One of our purposes is to investigate the origin of the apparent temperature discontinuity ΔT that is associated with this phenomenon. The hydrodynamic solutions of the Boltzmann equation, which (by definition) are describable in terms of local thermohydrodynamic variables, can transfer heat but are not at all responsible for ΔT; whereas the nonhydrodynamic solutions are completely responsible for ΔT but do not transfer heat. An effective temperature T tilde is defined which approaches the thermodynamic temperature T far from the interface, and which is assumed to be continuous across the interface. With this assumption, formal expressions for ΔT and h/subK/ are derived. In the limit as the properties of the two materials become identical, R/subK/ (=h/subK//sup -1/) approaches zero, as should be the case. Further, this approach has a natural generalization to finite frequencies and includes lifetime effects. It is pointed out that thermometers do not measure T tilde but rather T/subR/ which reflects, in a complicated fashion, the presence of the nonhydrodynamic modes, whose amplitudes fall off exponentially as one moves from the interface. In He II, determination of the exponential damping lengths (as a function of temperature and pressure) would provide information about phonon dispersion and phonon interactions which is at least as detailed as could be obtained by other means
Tsumura, Kyosuke; Kunihiro, Teiji
2012-01-01
We review our work on the application of the renormalization-group method to obtain first- and second-order relativistic hydrodynamics of the relativistic Boltzmann equation (RBE) as a dynamical system, with some corrections and new unpublished results. For the first-order equation, we explicitly obtain the distribution function in the asymptotic regime as the invariant manifold of the dynamical system, which turns out to be nothing but the matching condition defining the energy frame, i.e., ...
Electric Conductivity from the solution of the Relativistic Boltzmann Equation
Puglisi, A; Greco, V
2014-01-01
We present numerical results of electric conductivity $\\sigma_{el}$ of a fluid obtained solving the Relativistic Transport Boltzmann equation in a box with periodic boundary conditions. We compute $\\sigma_{el}$ using two methods: the definition itself, i.e. applying an external electric field, and the evaluation of the Green-Kubo relation based on the time evolution of the current-current correlator. We find a very good agreement between the two methods. We also compare numerical results with analytic formulas in Relaxation Time Approximation (RTA) where the relaxation time for $\\sigma_{el}$ is determined by the transport cross section $\\sigma_{tr}$, i.e. the differential cross section weighted with the collisional momentum transfer. We investigate the electric conductivity dependence on the microscopic details of the 2-body scatterings: isotropic and anisotropic cross-section, and massless and massive particles. We find that the RTA underestimates considerably $\\sigma_{el}$; for example at screening masses $...
Lattice Boltzmann Equation On a 2D Rectangular Grid
Bouzidi, MHamed; DHumieres, Dominique; Lallemand, Pierre; Luo, Li-Shi; Bushnell, Dennis M. (Technical Monitor)
2002-01-01
We construct a multi-relaxation lattice Boltzmann model on a two-dimensional rectangular grid. The model is partly inspired by a previous work of Koelman to construct a lattice BGK model on a two-dimensional rectangular grid. The linearized dispersion equation is analyzed to obtain the constraints on the isotropy of the transport coefficients and Galilean invariance for various wave propagations in the model. The linear stability of the model is also studied. The model is numerically tested for three cases: (a) a vortex moving with a constant velocity on a mesh periodic boundary conditions; (b) Poiseuille flow with an arbitrasy inclined angle with respect to the lattice orientation: and (c) a cylinder &symmetrically placed in a channel. The numerical results of these tests are compared with either analytic solutions or the results obtained by other methods. Satisfactory results are obtained for the numerical simulations.
Heat conduction in multifunctional nanotrusses studied using Boltzmann transport equation
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Materials that possess low density, low thermal conductivity, and high stiffness are desirable for engineering applications, but most materials cannot realize these properties simultaneously due to the coupling between them. Nanotrusses, which consist of hollow nanoscale beams architected into a periodic truss structure, can potentially break these couplings due to their lattice architecture and nanoscale features. In this work, we study heat conduction in the exact nanotruss geometry by solving the frequency-dependent Boltzmann transport equation using a variance-reduced Monte Carlo algorithm. We show that their thermal conductivity can be described with only two parameters, solid fraction and wall thickness. Our simulations predict that nanotrusses can realize unique combinations of mechanical and thermal properties that are challenging to achieve in typical materials
Derivation of anisotropic dissipative fluid dynamics from the Boltzmann equation
Molnar, E; Rischke, D H
2016-01-01
Fluid-dynamical equations of motion can be derived from the Boltzmann equation in terms of an expansion around a single-particle distribution function which is in local thermodynamical equilibrium, i.e., isotropic in momentum space in the rest frame of a fluid element. To zeroth order this expansion yields ideal fluid dynamics, to first order Navier-Stokes theory, and to second order transient theories of dissipative fluid dynamics. However, in situations where the single-particle distribution function is highly anisotropic in momentum space, such as the initial stage of heavy-ion collisions at relativistic energies, such an expansion is bound to break down. Nevertheless, one can still derive a fluid-dynamical theory, so-called anisotropic fluid dynamics, in terms of an expansion around a single-particle distribution function which incorporates (at least parts of) the momentum anisotropy via a suitable parametrization. In this paper we derive, up to terms of second order in this expansion, the equations of mo...
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This paper reports the development of an object-oriented programming methodology for particle simulations. It is established on the [m reductionist] view that many physical phenomena cana be reduced to many-body problems. By doing the reduction, many seemly unrelated physical phenomena can be simulated in a systematic way and a high-level programming system can be constructed to facilitate the programming and the solution of the simulations. In the object-oriented particle simulation methodology, a hierarchy of abstract particles is defined to represent a variety of characteristics in physical system simulations. A simulation program is constructed from particles derived from the abstract particles. The object- oriented particle simulation methodology provides a unifying modeling and simulation framework for a variety of simulation applications with the use of particle methods. It allows easy composition of simulation programs from predefined software modules and facilitates software reusability. It greatly increase the productivity of simulation program constructions. Boltzmann (after Ludwig Boltzmann, 1844-1906) is a prototype programming system in the object-oriented particle simulation methodology. Boltzmann is implemented in C++ and the X Window System. It contains a library of data types and functions that support simulations in particle methods. Moreover, it provides a visualization window to support friendly user-computer interaction. Examples of the application of the Boltzmann programming system are presented. The effectiveness of the object-oriented particle simulation methodology is demonstrated. A user's manual is included in the appendix
Incompressible Navier–Stokes equations from Boltzmann equations for reacting mixtures
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Incompressible Navier–Stokes equations for gas mixtures are derived from Boltzmann kinetic models in a suitable fluid dynamic limit. We consider polyatomic gases, each one endowed with a discrete set of internal energy levels. Specifically, we deal with a mixture of four polyatomic gases also undergoing chemical reactions. In the Maxwell molecule case, diffusion coefficients and contributions due to inelastic scattering and to chemical reactions may be explicitly computed. (paper)
On kinetic Boltzmann equations and related hydrodynamic flows with dry viscosity
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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.
Transition flow ion transport via integral Boltzmann equation
International Nuclear Information System (INIS)
A new approach is developed to solve the Integral Boltzmann Equation for the evolving velocity distribution of a source of ions, undergoing electrostatic acceleration through a neutral gas target. The theory is applicable to arbitrarily strong electric fields, any ion/neutral mass ratio greater than unity, and is not limited to spatially isotropic gas targets. A hard sphere collision model is used, with a provision for inelasticity. Both axial and radial velocity distributions are calculated for applications where precollision radial velocities are negligible, as is the case for ion beam extractions from high pressure sources. Theoretical predictions are tested through an experiment in which an atmospheric pressure ion source is coupled to a high vacuum energy analyser. Excellent agreement results for configurations in which the radial velocity remains small. Velocity distributions are applied to predicting the efficiency of coupling an atmospheric pressure ion source to a quadrupole mass spectrometer and results clearly indicate the most desirable extracting configuration. A method is devised to calculate ion-molecule hard sphere collision cross sections for easily fragmented organic ions
A Stability Notion for the viscous Shallow Water Lattice Boltzmann Equations
Banda, Mapundi K
2015-01-01
The stability of Lattice Boltzmann Equations modelling Shallow Water Equations in the special case of reduced gravity is investigated theoretically. A stability notion is defined as applied in incompressible Navier-Stokes equations in Banda, M. K., Yong, W.- A. and Klar, A: A stability notion for lattice Boltzmann equations. SIAM J. Sci. Comput. {\\bf 27(6)}, 2098-2111 (2006). It is found that to maintain stability a careful choice of the value of the reduced gravity must be made. The stability notion is employed to investigate different shallow water lattice Boltzmann Equations. The effect of the reduced gravity on the mechanism of instability is investigated. Results are tested using the Lattice Boltzmann Method for various values of the governing parameters of the flow. It is observed that even for the discrete model the reduced gravity has a significant effect on the stability.
Computational Aeroacoustics Using the Generalized Lattice Boltzmann Equation Project
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...
Application of Littlewood-Paley decomposition to the regularity of Boltzmann type kinetic equations
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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∞ 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)
An Entropy Stable Discontinuous Galerkin Finite-Element Moment Method for the Boltzmann Equation
Abdelmalik, M R A
2016-01-01
This paper presents a numerical approximation technique for the Boltzmann equation based on a moment system approximation in velocity dependence and a discontinuous Galerkin finite-element approximation in position dependence. The closure relation for the moment systems derives from minimization of a suitable {\\phi}-divergence. This divergence-based closure yields a hierarchy of tractable symmetric hyperbolic moment systems that retain the fundamental structural properties of the Boltzmann equation. The resulting combined discontinuous Galerkin moment method corresponds to a Galerkin approximation of the Boltzmann equation in renormalized form. We present a new class of numerical flux functions, based on the underlying renormalized Boltzmann equation, that ensure entropy dissipation of the approximation scheme. Numerical results are presented for a one-dimensional test case.
A generalized linear Boltzmann equation for non-classical particle transport
International Nuclear Information System (INIS)
This paper presents a derivation and initial study of a new generalized linear Boltzmann equation (GLBE), which describes particle transport for random statistically homogeneous systems in which the distribution function for chord lengths between scattering centers is non-exponential. Such problems have recently been proposed for the description of photon transport in atmospheric clouds; this paper is a first attempt to develop a Boltzmann-like equation for these and other related applications.
Punshon-Smith, Samuel; Smith, Scott
2016-01-01
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 kin...
Uniform in time lower bound for solutions to a quantum Boltzmann equation of bosons
Nguyen, Toan T.; Tran, Minh-Binh
2016-01-01
We consider the quantum Boltzmann equation, which describes the growth of the condensate, or in other words, models the interaction between excited atoms and a condensate. In this work, the full form of Bogoliubov dispersion law is considered, which leads to a detailed study of surface integrals inside the collision operator on energy manifolds. We prove that positive radial solutions of the quantum Boltzmann equation are bounded from below by a Gaussian, uniformly in time.
MULTI-FLUX FORMULATION OF THE BOLTZMANN EQUATION FOR CARRIER TRANSPORT IN SEMICONDUCTORS
Banoo, Kausar; Lundstrom, Mark
1998-01-01
This report describes how the Boltzmann Transport Equation for carrier transport in s~~miconductocrasn be formulated in a manner suit able for numerical simulation. It arose from an effort to generalise earlier work which used pre-computed scattering matrices to solve the Boltzmann Transport Equation. It also generalises the formulation used to treat neutron transport so that energy band-structure, scattering in semiconductors and electric fields can be treated. We present two different, but ...
The lattice Boltzmann model for the second-order Benjamin–Ono equations
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In this paper, in order to extend the lattice Boltzmann method to deal with more complicated nonlinear equations, we propose a 1D lattice Boltzmann scheme with an amending function for the second-order (1 + 1)-dimensional Benjamin–Ono equation. With the Taylor expansion and the Chapman–Enskog expansion, the governing evolution equation is recovered correctly from the continuous Boltzmann equation. The equilibrium distribution function and the amending function are obtained. Numerical simulations are carried out for the 'good' Boussinesq equation and the 'bad' one to validate the proposed model. It is found that the numerical results agree well with the analytical solutions. The present model can be used to solve more kinds of nonlinear partial differential equations
Simulation of a Natural Convection by the Hybrid Thermal Lattice Boltzmann Equation
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Ryu, Seungyeob; Kang, Hanok; Seo, Jaekwang; Yun, Juhyeon; Zee, Sung-Quun [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)
2006-07-01
Recently, the lattice Boltzmann method(LBM) has gained much attention for its ability to simulate fluid flows, and for its potential advantages over 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. In spite of its success in solving various challenging problems involving athermal fluids, the LBM has not been able to handle realistic thermal fluids with a satisfaction. The difficulty encountered in the thermal LBM seems to be the numerical instabilities. The existing thermal lattice Boltzmann models may be classified into three categories based on their approach in solving the Boltzmann equation, namely, the multispeed, the passive scalar and the thermal energy distribution approach. For more details see Ref. In the present work, the hybrid thermal lattice Boltzmann scheme proposed by Lallemand and Luo is used for simulating a natural convection in a square cavity. They proposed a hybrid thermal lattice Boltzmann equation(HTLBE) in which the mass and momentum conservation equations are solved by using the multiple-relaxation-time(MRT) model, whereas the diffusion-advection equations for the temperature are solved separately by using finite-difference technique. The main objective of the present work is to establish the lattice Boltzmann method as a viable tool for the simulation of temperature fields at high Rayleigh numbers.
Lattice Boltzmann Model for The Volume-Averaged Navier-Stokes Equations
Zhang, Jingfeng; Ouyang, Jie
2014-01-01
A numerical method, based on discrete lattice Boltzmann equation, is presented for solving the volume-averaged Navier-Stokes equations. With a modified equilibrium distribution and an additional forcing term, the volume-averaged Navier-Stokes equations can be recovered from the lattice Boltzmann equation in the limit of small Mach number by the Chapman-Enskog analysis and Taylor expansion. Due to its advantages such as explicit solver and inherent parallelism, the method appears to be more competitive with traditional numerical techniques. Numerical simulations show that the proposed model can accurately reproduce both the linear and nonlinear drag effects of porosity in the fluid flow through porous media.
Molnár, Etele; Rischke, Dirk H
2016-01-01
In Moln\\'ar et al. [Phys. Rev. D 93, 114025 (2016)] the equations of anisotropic dissipative fluid dynamics were obtained from the moments of the Boltzmann equation based on an expansion around an arbitrary anisotropic single-particle distribution function. In this paper we make a particular choice for this distribution function and consider the boost-invariant expansion of a fluid in one dimension. In order to close the conservation equations, we need to choose an additional moment of the Boltzmann equation. We discuss the influence of the choice of this moment on the time evolution of fluid-dynamical variables and identify the moment that provides the best match of anisotropic fluid dynamics to the solution of the Boltzmann equation in the relaxation-time approximation.
The non-linear Boltzmann equation and its application to time and space dependent problems
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This thesis is divided into two parts which both involve finding solutions of the Boltzmann Equation. The motivation behind Part 1 is laser fusion where energy transport is by electrons but the temperature gradients are so large in relation to their mean free paths that classical conduction theory breaks down. In this treatment the electron distribution function is found from an appropriate space-dependent Boltzmann Equation and thus physical quantities (in particular heat flux) are calculated for typical parameters from laser fusion. In part 2, an analytic solution of a certain non-linear one-dimensional Boltzmann Equation is obtained which describes the temporal relaxation to equilibrium of a system of particles. Solutions to the corresponding linearised equation and two E.G.K models (with energy-dependent and ''averaged'' collision times) are also derived and compared with that of the non-linear equation. (author)
Bazow, D; Heinz, U; Martinez, M; Noronha, J
2016-01-01
The dissipative dynamics of an expanding massless gas with constant cross section in a spatially flat Friedmann-Lema\\^itre-Robertson-Walker (FLRW) universe is studied. The mathematical problem of solving the full nonlinear relativistic Boltzmann equation is recast into an infinite set of nonlinear ordinary differential equations for the moments of the one-particle distribution function. Momentum-space resolution is determined by the number of non-hydrodynamic modes included in the moment hierarchy, i.e., by the truncation order. We show that in the FLRW spacetime the non-hydrodynamic modes decouple completely from the hydrodynamic degrees of freedom. This results in the system flowing as an ideal fluid while at the same time producing entropy. The solutions to the nonlinear Boltzmann equation exhibit transient tails of the distribution function with nontrivial momentum dependence. The evolution of this tail is not correctly captured by the relaxation time approximation nor by the linearized Boltzmann equation...
Discrete Boltzmann model of shallow water equations with polynomial equilibria
Meng, Jianping; Emerson, David R; Peng, Yong; Zhang, Jianmin
2016-01-01
A hierarchy of discrete Boltzmann model is proposed for simulating shallow water flows. By using the Hermite expansion and Gauss-Hermite quadrature, the conservation laws are automatically satisfied without extra effort. Moreover, the expansion order and quadrature can be chosen flexibly according to the problem for striking the balance of accuracy and efficiency. The models are then tested using the classical one-dimensional dam-breaking problem, and successes are found for both supercritical and subcritical flows.
Dynamics of Annihilation I : Linearized Boltzmann Equation and Hydrodynamics
de Soria, M. I. Garcia; Maynar, P.; Schehr, G.; Barrat, A.; Trizac, E.
2008-01-01
We study the non-equilibrium statistical mechanics of a system of freely moving particles, in which binary encounters lead either to an elastic collision or to the disappearance of the pair. Such a system of {\\em ballistic annihilation} therefore constantly looses particles. The dynamics of perturbations around the free decay regime is investigated from the spectral properties of the linearized Boltzmann operator, that characterize linear excitations on all time scales. The linearized Boltzma...
International Nuclear Information System (INIS)
We present a set of polynomial equations that provides models of the lattice Boltzmann theory for any required level of accuracy and for any dimensional space in a general form. We explicitly derive two- and three-dimensional models applicable to describe thermal compressible flows of the level of the Navier-Stokes equations.
International Nuclear Information System (INIS)
We review our work on the application of the renormalization-group method to obtain first- and second-order relativistic hydrodynamics from the relativistic Boltzmann equation (RBE) as a dynamical system, with some corrections and new unpublished results. For the first-order equation, we explicitly obtain the distribution function in the asymptotic regime as the invariant manifold of the dynamical system, which turns out to be nothing but the matching condition defining the energy frame, i.e., the Landau-Lifshitz one. It is argued that the frame on which the flow of the relativistic hydrodynamic equation is defined must be the energy frame, if the dynamics should be consistent with the underlying RBE. A sketch is also given for derivation of the second-order hydrodynamic equation, i.e., extended thermodynamics, which is accomplished by extending the invariant manifold so that it is spanned by excited modes as well as the zero modes (hydrodynamic modes) of the linearized collision operator. On the basis of thus constructed resummed distribution function, we propose a novel ansatz for the functional form to be used in Grad moment method; it is shown that our theory gives the same expressions for the transport coefficients as those given in the Chapman-Enskog theory as well as the novel expressions for the relaxation times and lengths allowing natural interpretation. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Tsumura, Kyosuke [Fujifilm Corporation, Analysis Technology Center, Kanagawa (Japan); Kunihiro, Teiji [Kyoto University, Department of Physics, Kyoto (Japan)
2012-11-15
We review our work on the application of the renormalization-group method to obtain first- and second-order relativistic hydrodynamics from the relativistic Boltzmann equation (RBE) as a dynamical system, with some corrections and new unpublished results. For the first-order equation, we explicitly obtain the distribution function in the asymptotic regime as the invariant manifold of the dynamical system, which turns out to be nothing but the matching condition defining the energy frame, i.e., the Landau-Lifshitz one. It is argued that the frame on which the flow of the relativistic hydrodynamic equation is defined must be the energy frame, if the dynamics should be consistent with the underlying RBE. A sketch is also given for derivation of the second-order hydrodynamic equation, i.e., extended thermodynamics, which is accomplished by extending the invariant manifold so that it is spanned by excited modes as well as the zero modes (hydrodynamic modes) of the linearized collision operator. On the basis of thus constructed resummed distribution function, we propose a novel ansatz for the functional form to be used in Grad moment method; it is shown that our theory gives the same expressions for the transport coefficients as those given in the Chapman-Enskog theory as well as the novel expressions for the relaxation times and lengths allowing natural interpretation. (orig.)
International Nuclear Information System (INIS)
The Aron equation is a generalization of the Fokker-Planck equation allowing for diffusion motion with finite maximal velocity. The Aron equation can be regarded as a semi-phenomenological equation because it is based on phenomenological laws such as the Fick diffusion law. It is shown that the one-dimensional case of the Aron equation can be derived from the Boltzmann transport equation for particles in Zitterbewegung. The extension to the three-dimensional case, however, leads to an equation different from the Aron one
Entropy inequality and hydrodynamic limits for the Boltzmann equation.
Saint-Raymond, Laure
2013-12-28
Boltzmann brought a fundamental contribution to the understanding of the notion of entropy, by giving a microscopic formulation of the second principle of thermodynamics. His ingenious idea, motivated by the works of his contemporaries on the atomic nature of matter, consists of describing gases as huge systems of identical and indistinguishable elementary particles. The state of a gas can therefore be described in a statistical way. The evolution, which introduces couplings, loses part of the information, which is expressed by the decay of the so-called mathematical entropy (the opposite of physical entropy!). PMID:24249776
International Nuclear Information System (INIS)
A robust numerical solution of the nonlinear Poisson–Boltzmann equation for asymmetric polyelectrolyte solutions in discrete pore geometries is presented. Comparisons to the linearized approximation of the Poisson–Boltzmann equation reveal that the assumptions leading to linearization may not be appropriate for the electrochemical regime in many cementitious materials. Implications of the electric double layer on both partitioning of species and on diffusive release are discussed. The influence of the electric double layer on anion diffusion relative to cation diffusion is examined.
Numerical scheme for a spatially inhomogeneous matrix-valued quantum Boltzmann equation
Lu, Jianfeng; Mendl, Christian B.
2015-06-01
We develop an efficient algorithm for a spatially inhomogeneous matrix-valued quantum Boltzmann equation derived from the Hubbard model. The distribution functions are 2 × 2 matrix-valued to accommodate the spin degree of freedom, and the scalar quantum Boltzmann equation is recovered as a special case when all matrices are proportional to the identity. We use Fourier discretization and fast Fourier transform to efficiently evaluate the collision kernel with spectral accuracy, and numerically investigate periodic, Dirichlet and Maxwell boundary conditions. Model simulations quantify the convergence to local and global thermal equilibrium.
Numerical scheme for a spatially inhomogeneous matrix-valued quantum Boltzmann equation
Lu, Jianfeng
2014-01-01
We develop an efficient algorithm for a spatially inhomogeneous matrix-valued quantum Boltzmann equation derived from the Hubbard model. The distribution functions are 2 x 2 matrix-valued to accommodate the spin degree of freedom, and the scalar quantum Boltzmann equation is recovered as special case when all matrices are proportional to the identity. We use Fourier discretization and fast Fourier transform to efficiently evaluate the collision kernel with spectral accuracy, and numerically investigate periodic, Dirichlet and Maxwell boundary conditions. Model simulations quantify the convergence to local and global thermal equilibrium.
Well-Posedness of the Cauchy Problem for a Space-Dependent Anyon Boltzmann Equation
Arkeryd, Leif; Nouri, Anne
2015-01-01
A fully non-linear kinetic Boltzmann equation for anyons is studied in a periodic 1d setting with large initial data. Strong L 1 solutions are obtained for the Cauchy problem. The main results concern global existence, uniqueness and stabililty. We use the Bony functional, the two-dimensional velocity frame specific for anyons, and an initial layer analysis that moves the solution away from a critical value. 1 Anyons and the Boltzmann equation. Let us first recall the definition of anyon. Con...
A Fokker-Planck model of the Boltzmann equation with correct Prandtl number
Mathiaud, J
2015-01-01
We propose an extension of the Fokker-Planck model of the Boltzmann equation to get a correct Prandtl number in the Compressible Navier-Stokes asymptotics. This is obtained by replacing the diffusion coefficient (which is the equilibrium temperature) by a non diagonal temperature tensor, like the Ellipsoidal-Statistical model (ES) is obtained from the Bathnagar-Gross-Krook model (BGK) of the Boltzmann equation. Our model is proved to satisfy the properties of conservation and a H-theorem. A Chapman-Enskog analysis and two numerical tests show that a correct Prandtl number of 2/3 can be obtained.
Variational formulation of the steady Boltzmann equation for semiconductors and applications
International Nuclear Information System (INIS)
We present a variational formulation of the steady Boltzmann equation for semiconductors. In this formulation, the distribution function is replaced by a weighted distribution function, and the symmetry of the drift operator is obtained by using the parity operator. We show that the solutions of the Boltzmann equation for the weighted distribution function are stationary functions of a suitable functional, which takes into account realistic boundary conditions. After introducing a general numerical framework, the approach proposed is tested in the bulk case, by computing an approximate expression for carrier mobility in silicon.
Equations of motion of test particles for solving the spin-dependent Boltzmann-Vlasov equation
Xia, Yin; Xu, Jun; Li, Bao-An; Shen, Wen-Qing
2016-08-01
A consistent derivation of the equations of motion (EOMs) of test particles for solving the spin-dependent Boltzmann-Vlasov equation is presented. The resulting EOMs in phase space are similar to the canonical equations in Hamiltonian dynamics, and the EOM of spin is the same as that in the Heisenburg picture of quantum mechanics. Considering further the quantum nature of spin and choosing the direction of total angular momentum in heavy-ion reactions as a reference of measuring nucleon spin, the EOMs of spin-up and spin-down nucleons are given separately. The key elements affecting the spin dynamics in heavy-ion collisions are identified. The resulting EOMs provide a solid foundation for using the test-particle approach in studying spin dynamics in heavy-ion collisions at intermediate energies. Future comparisons of model simulations with experimental data will help to constrain the poorly known in-medium nucleon spin-orbit coupling relevant for understanding properties of rare isotopes and their astrophysical impacts.
Tsumura, Kyosuke
2012-01-01
We apply the renormalization-group method to obtain the first-order relativistic hydrodynamics of the relativistic Boltzmann equation (RBE) as a dynamical system: We explicitly obtain the distribution function in the asymptotic regime as the invariant manifold of the dynamical system, which turns out to be nothing but the matching condition defining the energy frame. It is argued that the frame on which the flow of relativistic hydrodynamic equation is defined must be the energy frame, i.e., the Landau-Lifshitz one, if the dynamics should be consistent with the underlying RBE. A sketch is also given for derivation of the second-order hydrodynamic equation, i.e., extended thermodynamics, which is accomplished by extending the invariant manifold so that it is spanned by excited modes as well as the zero modes (hydrodynamic modes) of the linearized collision operator. On the basis of thus constructed resummed distribution function, we propose a novel ansatz for the functional form to be used in Grad moment metho...
Regularized lattice Boltzmann model for a class of convection-diffusion equations.
Wang, Lei; Shi, Baochang; Chai, Zhenhua
2015-10-01
In this paper, a regularized lattice Boltzmann model for a class of nonlinear convection-diffusion equations with variable coefficients is proposed. The main idea of the present model is to introduce a set of precollision distribution functions that are defined only in terms of macroscopic moments. The Chapman-Enskog analysis shows that the nonlinear convection-diffusion equations can be recovered correctly. Numerical tests, including Fokker-Planck equations, Buckley-Leverett equation with discontinuous initial function, nonlinear convection-diffusion equation with anisotropic diffusion, are carried out to validate the present model, and the results show that the present model is more accurate than some available lattice Boltzmann models. It is also demonstrated that the present model is more stable than the traditional single-relaxation-time model for the nonlinear convection-diffusion equations. PMID:26565368
International Nuclear Information System (INIS)
An alternative approach for solution of the collisional Boltzmann equation for a lattice architecture is presented. In the proposed method, termed the collisional lattice Boltzmann method (cLBM), the effects of spatial transport are accounted for via a streaming operator, using a lattice framework, and the effects of detailed collisional interactions are accounted for using the full collision operator of the Boltzmann equation. The latter feature is in contrast to the conventional lattice Boltzmann methods (LBMs) where collisional interactions are modeled via simple equilibrium based relaxation models (e.g. BGK). The underlying distribution function is represented using weights and fixed velocity abscissas according to the lattice structure. These weights are evolved based on constraints on the evolution of generalized moments of velocity according to the collisional Boltzmann equation. It can be shown that the collision integral can be reduced to a summation of elementary integrals, which can be analytically evaluated. The proposed method is validated using studies of canonical microchannel Couette and Poiseuille flows (both body force and pressure driven) and the results are found to be in good agreement with those obtained from conventional LBMs and experiments where available. Unlike conventional LBMs, the proposed method does not involve any equilibrium based approximations and hence can be useful for simulation of highly nonequilibrium flows (for a range of Knudsen numbers) using a lattice framework. (paper)
Tsumura, Kyosuke; Kikuchi, Yuta; Kunihiro, Teiji
2015-01-01
We derive the second-order hydrodynamic equation and the microscopic formulae of the relaxation times as well as the transport coefficients systematically from the relativistic Boltzmann equation. Our derivation is based on a novel development of the renormalization-group method, a powerful reduction theory of dynamical systems, which has been applied successfully to derive the non-relativistic second-order hydrodynamic equation Our theory nicely gives a compact expression of the deviation of...
Boltzmann-Fourier transformed transport equation in half space
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Using eigenfunctions of the stationary transport equation and analytical expressions of semigroups generated by linear collision transport operator, an analytical solution of the transport equation in a compact form is being derived for semi-infinite medium. (author)
Numerical investigations of low-density nozzle flow by solving the Boltzmann equation
Deng, Zheng-Tao; Liaw, Goang-Shin; Chou, Lynn Chen
1995-01-01
A two-dimensional finite-difference code to solve the BGK-Boltzmann equation has been developed. The solution procedure consists of three steps: (1) transforming the BGK-Boltzmann equation into two simultaneous partial differential equations by taking moments of the distribution function with respect to the molecular velocity u(sub z), with weighting factors 1 and u(sub z)(sup 2); (2) solving the transformed equations in the physical space based on the time-marching technique and the four-stage Runge-Kutta time integration, for a given discrete-ordinate. The Roe's second-order upwind difference scheme is used to discretize the convective terms and the collision terms are treated as source terms; and (3) using the newly calculated distribution functions at each point in the physical space to calculate the macroscopic flow parameters by the modified Gaussian quadrature formula. Repeating steps 2 and 3, the time-marching procedure stops when the convergent criteria is reached. A low-density nozzle flow field has been calculated by this newly developed code. The BGK Boltzmann solution and experimental data show excellent agreement. It demonstrated that numerical solutions of the BGK-Boltzmann equation are ready to be experimentally validated.
Shizgal, Bernie D.
2011-05-01
The study of the solution of the linearized Boltzmann equation has a very long history arising from the classic work by Chapman and Cowling. For small departures from a Maxwellian, the nonlinear Boltzmann equation can be linearized and the transport coefficients calculated with the Chapman-Enskog approach. This procedure leads to a set of linear integral equations which are generally solved with the expansion of the departure from Maxwellian in Sonine polynomials. The method has been used successfully for many decades to compare experimental transport data in atomic gases with theory generally carried out for realistic atom-atom differential cross sections. There are alternate pseudospectral methods which involve the discretization of the distribution function on a discrete grid. This paper considers a pseudospectral method of solution of the linearized hard sphere Boltzmann equation for the viscosity in a simple gas. The relaxation of a small departure from a Maxwellian is also considered for the linear test particle problem with unit mass ratio which is compared with the relaxation for the linearized one component Boltzmann equation.
Suriyawichitseranee, A.; Grigoriev, Yu. N.; Meleshko, S. V.
2014-01-01
The paper is devoted to group analysis of the spatially homogeneous and isotropic Boltzmann equation with a source term. In fact, the Fourier transform of the Boltzmann equation with respect to the molecular velocity variable is considered. Using a particular class of solutions, the determining equation for the admitted Lie group is reduced to a partial differential equation for the source function. The latter equation is analyzed by an algebraic method. A complete group classification of the...
Generalized Boltzmann equations for on-shell particle production in a hot plasma
Jakovác, A
2002-01-01
A novel refinement of the conventional treatment of Kadanoff--Baym equations is suggested. Besides the Boltzmann equation another differential equation is used for calculating the evolution of the non-equilibrium two-point function. Although it was usually interpreted as a constraint on the solution of the Boltzmann equation, we argue that its dynamics is relevant to the determination and resummation of the particle production cut contributions. The differential equation for this new contribution is illustrated in the example of the cubic scalar model. The analogue of the relaxation time approximation is suggested. It results in the shift of the threshold location and in smearing out of the non-analytic threshold behaviour of the spectral function. Possible consequences for the dilepton production are discussed.
Monitoring derivation of the quantum linear Boltzmann equation
Hornberger, Klaus; Vacchini, Bassano
2007-01-01
We show how the effective equation of motion for a distinguished quantum particle in an ideal gas environment can be obtained by means of the monitoring approach introduced in [EPL 77, 50007 (2007)]. The resulting Lindblad master equation accounts for the quantum effects of the scattering dynamics in a non-perturbative fashion and it describes decoherence and dissipation in a unified framework. It incorporates various established equations as limiting cases and reduces to the classical linear...
The Green's function for the three-dimensional linear Boltzmann equation via Fourier transform
Machida, Manabu
2016-04-01
The linear Boltzmann equation with constant coefficients in the three-dimensional infinite space is revisited. It is known that the Green's function can be calculated via the Fourier transform in the case of isotropic scattering. In this paper, we show that the three-dimensional Green's function can be computed with the Fourier transform even in the case of arbitrary anisotropic scattering.
A Revisiting of the -Stability Theory of the Boltzmann Equation Near Global Maxwellians
Ha, Seung-Yeal; Xiao, Qinghua
2015-07-01
We study the -stability theory of the Boltzmann equation near a global Maxwellian. When an initial datum is a perturbation of a global Maxwellian, we show that the -distance between two classical solutions can be controlled by the initial data in a Lipschitz manner, which illustrates the Lipschitz continuity of the solution operator for the Boltzmann equation in -topology. Our local-in-time -stability results cover cutoff very soft potentials as well as non-cutoff hard and soft potentials. These cases were not treated in the previous work (Ha et al. in Arch Ration Mech Anal 197:657-688, 2010). Thus, our results together with the results in Ha et al. (2010) complete the -stability theory for the Boltzmann equation near a global Maxwellian. For this -stability estimate, we use the coercivity estimate of the linearized collision operator, the smallness of perturbation in a mixed Lebesgue norm, and Strichartz-type estimates of perturbation. We also show that for all classical solutions available in the literature, the Lipschitz constant can be chosen as independent of time to obtain the uniform -stability of the Boltzmann equation.
International Nuclear Information System (INIS)
A variational procedure is applied to a linearized Boltzmann equation to calculate electric conductivity, thermal conductivity and Seebeck coefficient. Interaction of electrons with vacancies and impurities as well as with magnetic ions and phonons are taken into consideration. As an example these three transport coefficients are evaluated for GdAl2 in the temperature range 0-300 0K. (G.Q.)
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...
International Nuclear Information System (INIS)
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 PN approximation, the SN method (discrete ordinates method) and their variants. In the discrete ordinates (SN) 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 SN 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 PN 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)
Zhang, Jianying; Yan, Guangwu
2016-04-01
A lattice Boltzmann model for solving the (2+1) dimensional cubic-quintic complex Ginzburg-Landau equation (CQCGLE) is proposed. Different from the classic lattice Boltzmann models, this lattice Boltzmann model is based on uniformly distributed lattice points in a two-dimensional space, and the evolution of the model is about a spatial axis rather than time. The algorithm provides advantages similar to the lattice Boltzmann method in that it is easily adapted to complex Ginzburg-Landau equations. Numerical results reproduce the phenomena of the fusion of necklace-ring pattern and the effect of non-linearity on the soliton in the CQCGLE.
Stability of Global Solution to Boltzmann-Enskog Equation with External Force
Institute of Scientific and Technical Information of China (English)
JIANG ZHENG-LU; MA LI-JUN; YAO ZHENG-AN
2012-01-01
In the presence of external forces depending only on the time and space variables,the Boltzmann-Enskog equation formally conserves only the mass of the system,and its entropy functional is also nonincreasing.Corresponding to this type of equation,we first give some hypotheses of its bicharacteristic equations and then get some results about the stablity of its global solution with the help of two new Lyapunov functionals:one is to describe interactions between particles with different velocities and the other is to measure the L1 distance between two mild solutions.The former Lyapunov functional yields the time-asymptotic convergence of global classical solutions to the collision free motion while the latter is applied into the verification of the L1 stability of global mild solutions to the Boltzmann-Enskog equation for a moderately or highly dense gas in the influence of external forces.
Radiative or neutron transport modeling using a lattice Boltzmann equation framework
Bindra, H.; Patil, D. V.
2012-07-01
In this paper, the lattice Boltzmann equation (LBE)-based framework is used to obtain the solution for the linear radiative or neutron transport equation. The LBE framework is devised for the integrodifferential forms of these equations which arise due to the inclusion of the scattering terms. The interparticle collisions are neglected, hence omitting the nonlinear collision term. Furthermore, typical representative examples for one-dimensional or two-dimensional geometries and inclusion or exclusion of the scattering term (isotropic and anisotropic) in the Boltzmann transport equation are illustrated to prove the validity of the method. It has been shown that the solution from the LBE methodology is equivalent to the well-known Pn and Sn methods. This suggests that the LBE can potentially provide a more convenient and easy approach to solve the physical problems of neutron and radiation transport.
From Newton's law to the linear Boltzmann equation without cut-off
Ayi, Nathalie
2016-01-01
We provide a rigorous derivation of the linear Boltzmann equation without cutoff 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. 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 combin...
A hybrid kinetic-fluid model for solving the gas dynamics Boltzmann-BGK equation
Crouseilles, Nicolas; Degond, Pierre; Lemou, Mohammed
2004-01-01
International audience Our purpose s toderive a hybrid model for particles systems which combines a kinetic description of the fast particles with a fluid description of the thermal ones. Fats particles will be described through a collisional kinetic equation of Boltzmann-BGK type while thermal particles will be modeled by means of a system of a Euler type equations. A conservative numerical scheme is constructed and enables us to validate the approach on various numerical tests.
The Incompressible Navier-Stokes Limit of the Boltzmann Equation for Hard Cutoff Potentials
Golse, François; Saint-Raymond, Laure
2008-01-01
The present paper proves that all limit points of sequences of renormalized solutions of the Boltzmann equation in the limit of small, asymptotically equivalent Mach and Knudsen numbers are governed by Leray solutions of the Navier-Stokes equations. This convergence result holds for hard cutoff potentials in the sense of H. Grad, and therefore completes earlier results by the same authors [Invent. Math. 155, 81-161 (2004)] for Maxwell molecules.
Steady detonation waves via the Boltzmann equation for a reacting mixture
International Nuclear Information System (INIS)
Based on the Boltzmann equation, the detonation problem is dealt with on a mesoscopic level. The model is based on the assumption that ahead of a shock an explosive gas mixture is in meta stable equilibrium. Starting from the Von Neumann point the chemical reaction, initiated by the pressure jump, proceeds until the chemical equilibrium is reached. Numerical solutions of the derived macroscopic equations as well as the corresponding Hugoniot diagrams which reveal the physical relevance of the mathematical model are provided
Application of Boltzmann equation to electron transmission and seconary electron emission
International Nuclear Information System (INIS)
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
Steady detonation waves via the Boltzmann equation for a reacting mixture
Conforto, F; Schürrer, F; Ziegler, I
2003-01-01
Based on the Boltzmann equation, the detonation problem is dealt with on a mesoscopic level. The model is based on the assumption that ahead of a shock an explosive gas mixture is in meta stable equilibrium. Starting from the Von Neumann point the chemical reaction, initiated by the pressure jump, proceeds until the chemical equilibrium is reached. Numerical solutions of the derived macroscopic equations as well as the corresponding Hugoniot diagrams which reveal the physical relevance of the mathematical model are provided.
International Nuclear Information System (INIS)
The essential mathematical challenge in transport theory is based on the nonlinearity of the integro-differential equations governing classical thermodynamic systems on molecular kinetic level. It is the aim of this thesis to gain exact analytical solutions to the model Boltzmann equation suggested by Tjon and Wu. Such solutions afford a deeper insight into the dynamics of rarefied gases. Tjon and Wu have provided a stochastic model of a Boltzmann equation. Its transition probability depends only on the relative speed of the colliding particles. This assumption leads in the case of two translational degrees of freedom to an integro-differential equation of convolution type. According to this convolution structure the integro-differential equation is Laplace transformed. The result is a nonlinear partial differential equation. The investigation of the symmetries of this differential equation by means of Lie groups of transformation enables us to transform the originally nonlinear partial differential equation into ordinary differential equation into ordinary differential equations of Bernoulli type. (author)
A deterministic particle method for the linearized Boltzmann equation
International Nuclear Information System (INIS)
We present a conservative particle method of approximation of integral operators which enables us to derive a numerical method of resolution of linear transport equations including integral terms. We prove the L∞ convergence of the method at the order ε2 + hm/εm for any bounded time as soon as the cut-off belongs to Wm1
Diffusive Boltzmann equation, its fluid dynamics, Couette flow and Knudsen layers
Abramov, Rafail V
2016-01-01
In the current work we propose a diffusive modification of the Boltzmann equation. This naturally leads to the corresponding diffusive fluid dynamics equations, which we numerically investigate in a simple Couette flow setting. This diffusive modification is based on the assumption of the "imperfect" model collision term, which is unable to track all collisions in the corresponding real gas particle system. The effect of missed collisions is then modeled by an appropriately scaled long-term homogenization process of the particle dynamics. The corresponding diffusive fluid dynamics equations are produced in a standard way by closing the hierarchy of the moment equations using either the Euler or the Grad closure. In the numerical experiments with the Couette flow, we discover that the diffusive Euler equations behave similarly to the conventional Navier-Stokes equations, while the diffusive Grad equations additionally exhibit Knudsen-like velocity boundary layers. We compare the simulations with the correspond...
A novel protocol for linearization of the Poisson-Boltzmann equation
Tsekov, R
2014-01-01
A new protocol for linearization of the Poisson-Boltzmann equation is proposed and the resultant electrostatic equation coincides formally with the Debye-Huckel equation, the solution of which is well known for many electrostatic problems. The protocol is examined on the example of electrostatically stabilized nano-bubbles and it is shown that stable nano-bubbles could be present in aqueous solutions of anionic surfactants near the critical temperature, if the surface potential is constant. At constant surface charge non nano-bubbles could exist.
From Conformal Invariance towards Dynamical Symmetries of the Collisionless Boltzmann Equation
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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.
Marcozzi, M.; Nota, A.
2016-03-01
We consider a test particle moving in a random distribution of obstacles in the plane, under the action of a uniform magnetic field, orthogonal to the plane. We show that, in a weak coupling limit, the particle distribution behaves according to the linear Landau equation with a magnetic transport term. Moreover, we show that, in a low density regime, when each obstacle generates an inverse power law potential, the particle distribution behaves according to the linear Boltzmann equation with a magnetic transport term. We provide an explicit control of the error in the kinetic limit by estimating the contributions of the configurations which prevent the Markovianity. We compare these results with those ones obtained for a system of hard disks in Bobylev et al. (Phys Rev Lett 75:2, 1995), which show instead that the memory effects are not negligible in the Boltzmann-Grad limit.
Adaptive Finite Element Modeling Techniques for the Poisson-Boltzmann Equation
Holst, Michael; Yu, Zeyun; Zhou, Yongcheng; Zhu, Yunrong
2010-01-01
We develop an efficient and reliable adaptive finite element method (AFEM) for the nonlinear Poisson-Boltzmann equation (PBE). We first examine the regularization technique of Chen, Holst, and Xu; this technique made possible the first a priori pointwise estimates and the first complete solution and approximation theory for the Poisson-Boltzmann equation. It also made possible the first provably convergent discretization of the PBE, and allowed for the development of a provably convergent AFEM for the PBE. However, in practice the regularization turns out to be numerically ill-conditioned. In this article, we examine a second regularization, and establish a number of basic results to ensure that the new approach produces the same mathematical advantages of the original regularization, without the ill-conditioning property. We then design an AFEM scheme based on the new regularized problem, and show that the resulting AFEM scheme is accurate and reliable, by proving a contraction result for the error. This res...
Phonon Boltzmann equation-based discrete unified gas kinetic scheme for multiscale heat transfer
Guo, Zhaoli
2016-01-01
Numerical prediction of multiscale heat transfer is a challenging problem due to the wide range of time and length scales involved. In this work a discrete unified gas kinetic scheme (DUGKS) is developed for heat transfer in materials with different acoustic thickness based on the phonon Boltzmann equation. With discrete phonon direction, the Boltzmann equation is discretized with a second-order finite-volume formulation, in which the time-step is fully determined by the Courant-Friedrichs-Lewy (CFL) condition. The scheme has the asymptotic preserving (AP) properties for both diffusive and ballistic regimes, and can present accurate solutions in the whole transition regime as well. The DUGKS is a self-adaptive multiscale method for the capturing of local transport process. Numerical tests for both heat transfers with different Knudsen numbers are presented to validate the current method.
Goal-Oriented Adaptivity and Multilevel Preconditioning for the Poisson-Boltzmann Equation
Aksoylu, Burak; Cyr, Eric; Holst, Michael
2011-01-01
In this article, we develop goal-oriented error indicators to drive adaptive refinement algorithms for the Poisson-Boltzmann equation. Empirical results for the solvation free energy linear functional demonstrate that goal-oriented indicators are not sufficient on their own to lead to a superior refinement algorithm. To remedy this, we propose a problem-specific marking strategy using the solvation free energy computed from the solution of the linear regularized Poisson-Boltzmann equation. The convergence of the solvation free energy using this marking strategy, combined with goal-oriented refinement, compares favorably to adaptive methods using an energy-based error indicator. Due to the use of adaptive mesh refinement, it is critical to use multilevel preconditioning in order to maintain optimal computational complexity. We use variants of the classical multigrid method, which can be viewed as generalizations of the hierarchical basis multigrid and Bramble-Pasciak-Xu (BPX) preconditioners.
A new lattice Boltzmann equation to simulate density-driven convection of carbon dioxide
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
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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)
Sliding periodic boundary conditions for lattice Boltzmann and lattice kinetic equations
Adhikari, R.; Desplat, J. -C.; Stratford, K.
2005-01-01
We present a method to impose linear shear flow in discrete-velocity kinetic models of hydrodynamics through the use of sliding periodic boundary conditions. Our method is derived by an explicit coarse-graining of the Lees-Edwards boundary conditions for Couette flow in molecular dynamics, followed by a projection of the resulting equations onto the subspace spanned by the discrete velocities of the lattice Boltzmann method. The boundary conditions are obtained without resort to perturbative ...
A Combined MPI-CUDA Parallel Solution of Linear and Nonlinear Poisson-Boltzmann Equation
José Colmenares; Antonella Galizia; Jesús Ortiz; Andrea Clematis; Walter Rocchia
2014-01-01
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 ...
Spherical-harmonic type expansion for the Boltzmann equation in semiconductor devices
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Armando Majorana
1998-10-01
Full Text Available The Boltzmann equation for an electron gas in a semiconductor is considered. The electron energy is assumed to have a very general form, so that, for instance, parabolic or non parabolic band approximations can be treated. A technique, which recalls the classical moment method due to Grad, to deduce an approximate quasi-hydrodynamical model is shown and compared with the spherical harmonic expansion. Some characteristics of the model, as entropy inequality, are explicitly presented.
Faghaninia, Alireza; Ager III, Joel W.; Lo, Cynthia S.
2015-01-01
Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE) either rely heavily on experimental data (i.e., semi-empirical), or utilize simplifying assumptions, such as the constant relaxation time approximation (BTE-cRTA). While these models offer valuable physical insights and accurate calculations of transport propert...
A Spectral Study of the Linearized Boltzmann Equation for Diffusively Excited Granular Media
Rey, Thomas
2013-01-01
In this work, we are interested in the spectrum of the diffusively excited granular gases equation, in a space inhomogeneous setting, linearized around an homogeneous equilibrium. We perform a study which generalizes to a non-hilbertian setting and to the inelastic case the seminal work of Ellis and Pinsky about the spectrum of the linearized Boltzmann operator. We first give a precise localization of the spectrum, which consists in an essential part lying on the left of the imaginary axis an...
Dilaton and off-shell (non-critical string) effects in Boltzmann equation for species abundances
Lahanas, A B; Nanopoulos, Dimitri V
2006-01-01
In this work we derive the modifications to the Boltzmann equation governing the cosmic evolution of relic abundances induced by dilaton dissipative-source and non-critical-string terms in dilaton-driven non-equilibrium string Cosmologies. We also discuss briefly the most important phenomenological consequences, including modifications of the constraints on the available parameter space of cosmologically appealing particle physics models, imposed by recent precision data of astrophysical measurements.
Dilaton and off-shell (non-critical string) effects in Boltzmann equation for species abundances
Lahanas, Ab; Mavromatos, Ne; Nanopoulos, Dv
In this work we derive the modifications to the Boltzmann equation governing the cosmic evolution of relic abundances induced by dilaton dissipative-source and non-critical-string terms in dilaton-driven non-equilibrium string Cosmologies. We also discuss briefly the most important phenomenological consequences, including modifications of the constraints on the available parameter space of cosmologically appealing particle physics models, imposed by recent precision data of astrophysical measurements.
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This paper describes a new second generation spherical wavelet method for discretising the angular dimension of the Boltzmann transport equation. The approximation scheme provides a spectrally accurate expansion of the angular domain using Chebyshev collocation polynomials mapped into a wavelet space. Our method extends the work in Buchan et al. [Buchan, A., Pain, C.C., Eaton, M.D., Smedley-Stevenson, R., Goddard, A., Oliveira, C.D., submitted for publication. Linear and quadratic hexahedral wavelets on the sphere for angular discretisations of the Boltzmann transport equation. Nucl. Sci. Eng.; Buchan, A., Pain, C.C., Eaton, M.D., Smedley-Stevenson, R., Goddard, A., Oliveira, C.D., 2005. Linear and quadratic octahedral wavelets on the sphere for angular discretisations of the Boltzmann transport equation. Ann. Nucl. Energy 32, 1224-1273] of using low order finite element based wavelets. Here we show the spectral wavelets can improve on these techniques by providing more accurate representation of the angular fluxes. This also implies the method can provide improved solutions to those of the established methods SN and PN by reducing ray-effects and possibly Gibbs oscillations. We demonstrate this using a set of demanding mono-energetic particle transport problems
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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. (paper)
Bouchard, Hugo; Bielajew, Alex
2015-07-01
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.
Dyatko, Nikolay; Donko, Zoltan
2015-01-01
At low reduced electric fields the electron energy distribution function in heavy noble gases can take two distinct shapes. This "bistability effect" - in which electron-electron (Coulomb) collisions play an essential role - is analyzed here for Xe with a Boltzmann equation approach and with a first principles particle simulation method. The solution of the Boltzmann equation adopts the usual approximations of (i) searching for the distribution function in the form of two terms ("two-term app...
Solution Poisson-Boltzmann equation: Application in the Human Neuron Membrane
Soares, M A G; Cortez, C M
2008-01-01
With already demonstrated in previous work the equations that describe the space dependence of the electric potential are determined by the solution of the equation of Poisson-Boltzmann. In this work we consider these solutions for the membrane of the human neuron, using a model simplified for this structure considering the distribution of electrolytes in each side of the membrane, as well as the effect of glycocalyx and the lipidic bilayer. It was assumed that on both sides of the membrane the charges are homogeneously distributed and that the potential depends only on coordinate z.
Parallel FE Approximation of the Even/Odd Parity Form of the Linear Boltzmann Equation
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A novel solution method has been developed to solve the linear Boltzmann equation on an unstructured triangular mesh. Instead of tackling the first-order form of the equation, this approach is based on the even/odd-parity form in conjunction with the conventional mdtigroup discrete-ordinates approximation. The finite element method is used to treat the spatial dependence. The solution method is unique in that the space-direction dependence is solved simultaneously, eliminating the need for the conventional inner iterations, and the method is well suited for massively parallel computers
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Calculations and comparisons with experimental data indicate that the Boltzmann transport equation provides a comprehensive treatment of the general ion implantation problem. The primary ion distribution in a multilayer target can be calculated directly and is found to be in good agreement with experiments. The transport equation predicts the spatial distribution of recoils and thus provides the theoretical information needed to determine the fractional atomic displacement necessary for amorphization of silicon and the degree of stoichiometric imbalance that is produced when energetic ions are incident on a target having more than one type of host atom
Chai, Zhenhua; Guo, Zhaoli
2016-01-01
In this paper, based on the previous work [B. Shi, Z. Guo, Lattice Boltzmann model for nonlinear convection-diffusion equations, Phys. Rev. E 79 (2009) 016701], we develop a general multiple-relaxation-time (MRT) lattice Boltzmann model for nonlinear anisotropic convection-diffusion equation (NACDE), and show that the NACDE can be recovered correctly from the present model through the Chapman-Enskog analysis. We then test the MRT model through some classic CDEs, and find that the numerical results are in good agreement with analytical solutions or some available results. Besides, the numerical results also show that similar to the single-relaxation-time (SRT) lattice Boltzmann model or so-called BGK model, the present MRT model also has a second-order convergence rate in space. Finally, we also perform a comparative study on the accuracy and stability of the MRT model and BGK model by using two examples. In terms of the accuracy, both the theoretical analysis and numerical results show that a \\emph{numerical}...
Ma, John Z. G.; St.-Maurice, J.-P.
2015-06-01
By applying a backward mapping technique, we solve the Boltzmann equation to investigate the effects of ion-neutral collisions on the ion velocity distribution and related transport properties in cylindrically symmetric, uniformly charged auroral ionosphere. Such a charge geometry introduces a radial electric field which increases linearly with distance from the axis of symmetry. In order to obtain complete analytical solutions for gaining physical insights into more complicated problems, we have substituted a relaxation collision model for the Boltzmann collision integral in the Boltzmann equation. Our calculations show that collisions drive the velocity distribution to a "horseshoe" shape after a few collision times. This feature extends to all radial positions as long as the electric field keeps increasing linearly versus radius. If the electric field is introduced suddenly, there is a transition from the collision-free pulsating Maxwellian distributions obtained in previous work (Ma and St.-Maurice, J. Geophys. Res., 113:A05312, 2008) to the "horseshoe" shapes on a time scale of within the few collision times. We also show how the transport properties evolve in a similar fashion, from oscillating to a non-oscillating features over the same time interval.
A conservative multi-group approach to the Boltzmann equations for reactive gas mixtures
Bisi, M.; Rossani, A.; Spiga, G.
2015-11-01
Starting from a simple kinetic model for a quaternary mixture of gases undergoing a bimolecular chemical reaction, multi-group integro-differential equations are derived for the particle distribution functions of all species. The procedure takes advantage of a suitable probabilistic formulation, based on the underlying collision frequencies and transition probabilities, of the relevant reactive kinetic equations of Boltzmann type. Owing to an appropriate choice of a sufficiently large number of weight functions, it is shown that the proposed multi-group equations are able to fulfil exactly, at any order of approximation, the correct conservation laws that must be inherited from the original kinetic equations, where speed was a continuous variable. Future developments are also discussed.
Asinari, P.
2011-03-01
Boltzmann equation is one the most powerful paradigms for explaining transport phenomena in fluids. Since early fifties, it received a lot of attention due to aerodynamic requirements for high altitude vehicles, vacuum technology requirements and nowadays, micro-electro-mechanical systems (MEMs). Because of the intrinsic mathematical complexity of the problem, Boltzmann himself started his work by considering first the case when the distribution function does not depend on space (homogeneous case), but only on time and the magnitude of the molecular velocity (isotropic collisional integral). The interest with regards to the homogeneous isotropic Boltzmann equation goes beyond simple dilute gases. In the so-called econophysics, a Boltzmann type model is sometimes introduced for studying the distribution of wealth in a simple market. Another recent application of the homogeneous isotropic Boltzmann equation is given by opinion formation modeling in quantitative sociology, also called socio-dynamics or sociophysics. The present work [1] aims to improve the deterministic method for solving homogenous isotropic Boltzmann equation proposed by Aristov [2] by two ideas: (a) the homogeneous isotropic problem is reformulated first in terms of particle kinetic energy (this allows one to ensure exact particle number and energy conservation during microscopic collisions) and (b) a DVM-like correction (where DVM stands for Discrete Velocity Model) is adopted for improving the relaxation rates (this allows one to satisfy exactly the conservation laws at macroscopic level, which is particularly important for describing the late dynamics in the relaxation towards the equilibrium).
A new scheme for solving inhomogeneous Boltzmann equation for electrons in weakly ionised gases
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In the case of weakly ionized gases, the numerical treatment of non-hydrodynamic regime involving spatial variation of distribution function due to boundaries (walls, electrodes, electron source, etc hor-ellipsis) by using direct Boltzmann equation always constitute a challenge if the main collisional processes occurring in non thermal plasmas are to be considered (elastic, inelastic and super-elastic collisions, Penning ionisation, Coulomb interactions, etc hor-ellipsis). In the non-thermal discharge modelling, the inhomogeneous electron Boltzmann equation is needed in order to be coupled for example to a fluid model to take into account the electron non-hydrodynamic effects. This is for example the case of filamentary discharge, in which the space charge electric field due to streamer propagation has a very sharp spatial profile thus leading to important space non-hydrodynamic effects. It is also the case of the cathodic zone of glow discharge where electric field has a rapid spatial decrease until the negative glow. In the present work, a new numerical scheme is proposed to solve the inhomogeneous Boltzmann equation for electrons in the framework of two-term approximation (TTA) taking into account elastic and inelastic processes. Such a method has the usual drawbacks associated with the TTA i.e. not an accurate enough at high E/N values or in presence of high inelastic processes. But the accuracy of this method is considered sufficient because in a next step it is destinated to be coupled to fluid model for charged particles and a chemical kinetic model where the accuracy is of the same order of magnitude or worse. However there are numerous advantages of this method concerning time computing, treatment of non-linear collision processes (Coulomb, Penning, etc hor-ellipsis)
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In this paper, two new wavelet bases are developed for discretising the angular term of the first-order Boltzmann transport equation. The wavelets proposed are based on Sweldens second generation wavelets [Sweldens, W., 1993. The lifting scheme: a construction of second generation wavelets. SIAM J. Math. 1, 54], which are constructed through the lifting procedure [Sweldens, W., 1995. The lifting scheme: a new philosophy in biorthogonal wavelet construction. Wavelet Applications in Signal and Image Processing III]. In this paper, the wavelets are built on an octahedral domain, Fig. 2, and the angular flux approximation takes the form of finite element linear and quadratic representations. Full details of the meshing over the octahedron and derivation of the wavelet functions are given. The wavelets discussed are similar to the wavelets developed in Buchan [Buchan, A., 2003 c. Angular discretisation of the first order Boltzmann transport equation. Part 2: linear spherical wavelets. Technical Report, Imperial College, London, Dep. Earth Sci. Eng.] and [Buchan, A., 2003b. Angular discretisation of the first order Boltzmann transport equation. Part 3: quadratic spherical wavelets. Technical Report, Imperial College, London, Dep. Earth Sci. Eng.], in this paper the bases use a new fundamental amendment for mitigating the inaccuracies observed with the earlier bases. The performance of the new angular discretisation techniques are demonstrated using 2 one-dimensional and 4 two-dimensional test problems. These problems demonstrate the accuracy and susceptibility to ray effects of the proposed methods. Comparisons of all calculations are made with the conventional S N and P N approximations. Benchmark solutions are provided by the established code EVENT
Ayissi, Raoul Domingo; Noutchegueme, Norbert
2015-01-01
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
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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
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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
Numerical solution of the Boltzmann equation for the shock wave in a gas mixture
Raines, A A
2014-01-01
We study the structure of a shock wave for a two-, three- and four-component gas mixture on the basis of numerical solution of the Boltzmann equation for the model of hard sphere molecules. For the evaluation of collision integrals we use the Conservative Projection Method developed by F.G. Tscheremissine which we extended to gas mixtures in cylindrical coordinates. The transition from the upstream to downstream uniform state is presented by macroscopic values and distribution functions. The obtained results were compared with numerical and experimental results of other authors.
High order numerical methods for the space non-homogeneous Boltzmann equation
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In this paper we present accurate methods for the numerical solution of the Boltzmann equation of rarefied gas. The methods are based on a time splitting technique. The transport is solved by a third order accurate (in space) positive and flux conservative (PFC) method. The collision step is treated by a Fourier approximation of the collision integral, which guarantees spectral accuracy in velocity, coupled with several high order integrators in time. Strang splitting is used to achieve second order accuracy in space and time. Several numerical tests illustrate the properties of the methods
Quantum Boltzmann equation for spin-dependent reactions in the kinetic regime
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We derive and analyze an effective quantum Boltzmann equation in the kinetic regime for the interactions of four distinguishable types of fermionic spin-(1/2) particles, starting from a general quantum field Hamiltonian. Each particle type is described by a time-dependent, 2 × 2 spin-density (‘Wigner’) matrix. We show that density and energy conservation laws as well as the H-theorem hold, and enumerate additional conservation laws depending on the interaction. The conserved quantities characterize the t→∞ thermal (Fermi–Dirac) equilibrium state. We illustrate the approach to equilibrium by numerical simulations in the isotropic three-dimensional setting. (paper)
Range profile calculations by direct numerical solution of linearized Boltzmann transport equations
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A new method to determine the depth distributions of implanted ions and recoil target atoms in amorphous targets is developed. Our procedure is based on the direct numerical solution of one-dimensional linearized Boltzmann transport equations for the scalar fluxes of the ions and the recoils. We consider characteristic examples of ion implantation into homogeneous and layered targets. The profiles calculated by the new method are compared with range distributions obtained from TRIM Monte Carlo simulations. Our program BOTE is up to two orders of magnitude faster than the TRIM calculations. (author)
Wave operators for the linearized Boltzmann equation in one-speed transport theory
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A dissipative integro-differential operator L arising in the linearization of Boltzmann's equation in one-speed particle transport theory is considered. Under assumptions ensuring that the point spectrum of L is finite a scalar multiple of the characteristic functions of L is found and a condition for the absence of spectral singularities is indicated. Using the techniques of non-stationary scattering theory and the Sz.-Nagy-Foias functional model direct and inverse wave operators with the completeness property are constructed. The structure of the operator L in the invariant subspace corresponding to its continuous spectrum is studied
Relaxation of hot and massive tracers using numerical solutions of the Boltzmann equation
Khurana, Saheba; Thachuk, Mark
2016-03-01
A numerical method using B-splines is used to solve the linear Boltzmann equation describing the energy relaxation of massive tracer particles moving through a dilute bath gas. The smooth and rough hard sphere and Maxwell molecule models are used with a variety of mass ratios and initial energies to test the capability of the numerical method. Massive tracers are initialized with energies typically found in energy loss experiments in mass spectrometry using biomolecules. The method is also used to examine the applicability of known expressions for the kinetic energy decay from the Fokker-Planck equation for the Rayleigh gas, where we find that results are generally good provided that the initial energy is properly bounded. Otherwise, the energy decay is not constant and a more complex behaviour occurs. The validity of analytical expressions for drag coefficients for spherical particles under specular and diffuse scattering is also tested. We find such expressions are generally good for hard spheres but cannot account, as expected, for the softer repulsive walls of the Maxwell (and real) molecules. Overall, the numerical method performed well even when tracers more than 400 times as massive as the bath were initialized with energies very far from equilibrium. This is a range of applicability beyond many of the standard methods for solving the Boltzmann equation.
Relaxation of hot and massive tracers using numerical solutions of the Boltzmann equation.
Khurana, Saheba; Thachuk, Mark
2016-03-14
A numerical method using B-splines is used to solve the linear Boltzmann equation describing the energy relaxation of massive tracer particles moving through a dilute bath gas. The smooth and rough hard sphere and Maxwell molecule models are used with a variety of mass ratios and initial energies to test the capability of the numerical method. Massive tracers are initialized with energies typically found in energy loss experiments in mass spectrometry using biomolecules. The method is also used to examine the applicability of known expressions for the kinetic energy decay from the Fokker-Planck equation for the Rayleigh gas, where we find that results are generally good provided that the initial energy is properly bounded. Otherwise, the energy decay is not constant and a more complex behaviour occurs. The validity of analytical expressions for drag coefficients for spherical particles under specular and diffuse scattering is also tested. We find such expressions are generally good for hard spheres but cannot account, as expected, for the softer repulsive walls of the Maxwell (and real) molecules. Overall, the numerical method performed well even when tracers more than 400 times as massive as the bath were initialized with energies very far from equilibrium. This is a range of applicability beyond many of the standard methods for solving the Boltzmann equation. PMID:26979675
Stamnes, K.; Lie-Svendsen, O.; Rees, M. H.
1991-01-01
The linear Boltzmann equation can be cast in a form mathematically identical to the radiation-transport equation. A multigroup procedure is used to reduce the energy (or velocity) dependence of the transport equation to a series of one-speed problems. Each of these one-speed problems is equivalent to the monochromatic radiative-transfer problem, and existing software is used to solve this problem in slab geometry. The numerical code conserves particles in elastic collisions. Generic examples are provided to illustrate the applicability of this approach. Although this formalism can, in principle, be applied to a variety of test particle or linearized gas dynamics problems, it is particularly well-suited to study the thermalization of suprathermal particles interacting with a background medium when the thermal motion of the background cannot be ignored. Extensions of the formalism to include external forces and spherical geometry are also feasible.
Tervo, J; Frank, M; Herty, M
2016-01-01
The paper considers a coupled system of linear Boltzmann transport equation (BTE), and its Continuous Slowing Down Approximation (CSDA). This system can be used to model the relevant transport of particles used e.g. in dose calculation in radiation therapy. The evolution of charged particles (e.g. electrons and positrons) are in practice often modelled using the CSDA version of BTE because of the so-called forward peakedness of scattering events contributing to the particle fluencies (or particle densities), which causes severe problems for numerical methods. First, we prove the existence and uniqueness of solutions, under sufficient criteria and in appropriate $L^2$-based spaces, of a single (particle) CSDA-equation by using two complementary techniques, the Lions-Lax-Milgram Theorem (variational approach), and the theory evolution operators (semigroup approach). The necessary a priori estimates are shown. In addition, we prove the corresponding results and estimates for the system of coupled transport equat...
Continuous surface force based lattice Boltzmann equation method for simulating thermocapillary flow
Zheng, Lin; Zhai, Qinglan
2014-01-01
In this paper, we extend a lattice Boltzmann equation (LBE) with continuous surface fore (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 visa Cahn-Hilliard equation which is solved in the frame work of LBE. The scalar convection-diffusion equation for temperature field is also solved by thermal LBE. The models are validated by thermal two layered Poiseuille flow, and a 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 ...
Tsumura, Kyosuke; Kunihiro, Teiji
2015-01-01
We derive the second-order hydrodynamic equation and the microscopic formulae of the relaxation times as well as the transport coefficients systematically from the relativistic Boltzmann equation. Our derivation is based on a novel development of the renormalization-group method, a powerful reduction theory of dynamical systems, which has been applied successfully to derive the non-relativistic second-order hydrodynamic equation Our theory nicely gives a compact expression of the deviation of the distribution function in terms of the linearized collision operator, which is different from those used as an ansatz in the conventional fourteen-moment method. It is confirmed that the resultant microscopic expressions of the transport coefficients coincide with those derived in the Chapman-Enskog expansion method. Furthermore, we show that the microscopic expressions of the relaxation times have natural and physically plausible forms. We prove that the propagating velocities of the fluctuations of the hydrodynamica...
Ordonez-Miranda, J.; Yang, Ronggui; Alvarado-Gil, J. J.
2011-04-01
A constitutive equation for heat conduction is derived from the exact solution of the Boltzmann transport equation under the relaxation time approximation. This is achieved by a series expansion on multiple space derivatives of the temperature and introducing the concept of thermal multipoles, where the thermal conductivity defined under the framework of the Fourier law of heat conduction is just the first thermal pole. It is shown that this equation generalizes the Fourier law and Cattaneo equation of heat conduction, and it depends strongly on the relative values of the length and time scales compared with the mean-free path and mean-free time of the energy carriers, respectively. In the limiting case of steady-state heat conduction, it is shown that the heat flux vector depends on a spatial scale ratio whose effects are remarkable in the micro-scale spatial domains. By applying a first-order approximation of the obtained thermal multipole expansion to the problem of transient heat conduction across a thin film and comparing the results with the predictions for the same problem using the Fourier, Cattaneo and Boltzmann transport equations, it is shown that our results could be useful in the study of the heat transport in short as well as in long scales of space and time. The common and different features of the multipole expansion compared with the Ballistic-diffusive model of heat conduction are also discussed. Special emphasis is put to the cases where the physical scales of space and time are comparable to the mean-free path and mean-free time of the energy carriers.
Quadratic inner element subgrid scale discretisation of the Boltzmann transport equation
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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.
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In this paper, we present a hybrid algorithm to solve the Linear Boltzmann Equation, specifically for application to problems containing regions of low scattering. The hybrid approach uses the Characteristics Method in low scattering regions, while the remaining regions are treated with the Discrete Ordinates Method (Sn). A new 3-D transport code (TITAN) has been developed based on the hybrid approach. In the TITAN code, a physical problem model is divided into a number of coarse meshes (blocks) in Cartesian geometry. TITAN allows different individual fine meshing schemes and angular quadrature sets for each coarse mesh. Either the characteristics solver or the Sn solver can be chosen to solve the Linear Boltzmann Equation within a coarse mesh. A shared scattering kernel allows an arbitrary order of anisotropic scattering in both block-oriented solvers. Angular and spatial projection techniques are developed to transfer angular fluxes on the interfaces of the coarse meshes. We have tested the performance and accuracy of the TITAN code on a number of benchmark problems. The results of a CT model are presented in this paper. The hybrid method shows higher computation efficiency than the regular Sn method. (authors)
Düring, Bertram
2015-01-01
We propose and investigate different kinetic models for opinion formation, when the opinion formation process depends on an additional independent variable, e.g. a leadership or a spatial variable. More specifically, we consider:(i) opinion dynamics under the effect of opinion leadership, where each individual is characterised not only by its opinion, but also by another independent variable which quantifies leadership qualities; (ii) opinion dynamics modelling political segregation in the `The Big Sort', a phenomenon that US citizens increasingly prefer to live in neighbourhoods with politically like-minded individuals. Based on microscopic opinion consensus dynamics such models lead to inhomogeneous Boltzmann-type equations for the opinion distribution. We derive macroscopic Fokker-Planck-type equations in a quasi-invariant opinion limit and present results of numerical experiments.
Spherical harmonics and energy polynomial solution of the Boltzmann equation for neutrons, 1
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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
Numerical solution of the linearized Boltzmann equation for an arbitrary intermolecular potential
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A numerical procedure to solve the linearized Boltzmann equation with an arbitrary intermolecular potential by the discrete velocity method is elaborated. The equation is written in terms of the kernel, which contains the differential cross section and represents a singularity. As an example, the Lennard-Jones potential is used and the corresponding differential cross section is calculated and tabulated. Then, the kernel is calculated so that to overcome its singularity. Once, the kernel is known and stored it can be used for many kinds of gas flows. In order to test the method, the transport coefficients, i.e. thermal conductivity and viscosity for all noble gases, are calculated and compared with those obtained by the variational method using the Sonine polynomials expansion. The fine agreement between the results obtained by the two different methods shows the feasibility of application of the proposed technique to calculate rarefied gas flows over the whole range of the Knudsen number.
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An improved solution of the Boltzmann transport equation was developed for calculating the results of ion implantation into a multilayer target. A multiple pass scheme is used to integrate the coupled, linearized transport equations describing the momentum distributions of the implanted ion and the recoil particles. The multiple-pass approach correctly treats the case of ions scattered by more than 900, whereas in previous calculations these ions were assumed to be stopped at the scattering point. The accurate treatment of these ions is essential for calculations involving light ions and/or low ion energies, and also an essential prerequisite for two-dimensional calculations. The nuclear cross section used is improved over previous TE calculations by removing the small-angle approximation in the LSS formation of nuclear scattering. Implanted and recoil ion range and damage distributions can be calculated directly for multilayer targets, including stoichiometric disturbances in compounds and recoil yields between target layers
Dolera, Emanuele
2011-01-01
Consider the homogeneous Boltzmann equation for Maxwellian molecules. We provide a new representation for its solution in the form of expectation of a random probability measure M. We also prove that the Fourier transform of M is a conditional characteristic function of a sum of independent random variables, given a suitable sigma-algebra. These facts are then used to prove a CLT for Maxwellian molecules, that is the statement of a necessary and sufficient condition for the weak convergence of the solution of the equation. Such a condition reduces to the finiteness of the second moment of the initial distribution \\mu_0. As a further application, we give a refinement of some inequalities, due to Elmroth, concerning the evolution of the moments of the solution.
A New 2D-Transport, 1D-Diffusion Approximation of the Boltzmann Transport equation
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Larsen, Edward
2013-06-17
The work performed in this project consisted of the derivation, implementation, and testing of a new, computationally advantageous approximation to the 3D Boltz- mann transport equation. The solution of the Boltzmann equation is the neutron flux in nuclear reactor cores and shields, but solving this equation is difficult and costly. The new “2D/1D” approximation takes advantage of a special geometric feature of typical 3D reactors to approximate the neutron transport physics in a specific (ax- ial) direction, but not in the other two (radial) directions. The resulting equation is much less expensive to solve computationally, and its solutions are expected to be sufficiently accurate for many practical problems. In this project we formulated the new equation, discretized it using standard methods, developed a stable itera- tion scheme for solving the equation, implemented the new numerical scheme in the MPACT code, and tested the method on several realistic problems. All the hoped- for features of this new approximation were seen. For large, difficult problems, the resulting 2D/1D solution is highly accurate, and is calculated about 100 times faster than a 3D discrete ordinates simulation.
AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation.
Koehl, Patrice; Delarue, Marc
2010-02-14
The Poisson-Boltzmann (PB) formalism is among the most popular approaches to modeling the solvation of molecules. It assumes a continuum model for water, leading to a dielectric permittivity that only depends on position in space. In contrast, the dipolar Poisson-Boltzmann-Langevin (DPBL) formalism represents the solvent as a collection of orientable dipoles with nonuniform concentration; this leads to a nonlinear permittivity function that depends both on the position and on the local electric field at that position. The differences in the assumptions underlying these two models lead to significant differences in the equations they generate. The PB equation is a second order, elliptic, nonlinear partial differential equation (PDE). Its response coefficients correspond to the dielectric permittivity and are therefore constant within each subdomain of the system considered (i.e., inside and outside of the molecules considered). While the DPBL equation is also a second order, elliptic, nonlinear PDE, its response coefficients are nonlinear functions of the electrostatic potential. Many solvers have been developed for the PB equation; to our knowledge, none of these can be directly applied to the DPBL equation. The methods they use may adapt to the difference; their implementations however are PBE specific. We adapted the PBE solver originally developed by Holst and Saied [J. Comput. Chem. 16, 337 (1995)] to the problem of solving the DPBL equation. This solver uses a truncated Newton method with a multigrid preconditioner. Numerical evidences suggest that it converges for the DPBL equation and that the convergence is superlinear. It is found however to be slow and greedy in memory requirement for problems commonly encountered in computational biology and computational chemistry. To circumvent these problems, we propose two variants, a quasi-Newton solver based on a simplified, inexact Jacobian and an iterative self-consistent solver that is based directly on the PBE
Tsumura, Kyosuke; Kikuchi, Yuta; Kunihiro, Teiji
2015-10-01
We derive the second-order hydrodynamic equation and the microscopic formulas of the relaxation times as well as the transport coefficients systematically from the relativistic Boltzmann equation. Our derivation is based on a novel development of the renormalization-group method, a powerful reduction theory of dynamical systems, which has been applied successfully to derive the nonrelativistic second-order hydrodynamic equation. Our theory nicely gives a compact expression of the deviation of the distribution function in terms of the linearized collision operator, which is different from those used as an ansatz in the conventional fourteen-moment method. It is confirmed that the resultant microscopic expressions of the transport coefficients coincide with those derived in the Chapman-Enskog expansion method. Furthermore, we show that the microscopic expressions of the relaxation times have natural and physically plausible forms. We prove that the propagating velocities of the fluctuations of the hydrodynamical variables do not exceed the light velocity, and hence our second-order equation ensures the desired causality. It is also confirmed that the equilibrium state is stable for any perturbation described by our equation.
Solution of the Boltzmann-Fokker-Planck transport equation using exponential nodal schemes
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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 S4 with expansions of the dispersion cross sections until P3 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)
Numerical and analytic solutions of the Boltzmann equation for cosmic ray transport
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A method for accurately determining the longitudinal transport of cosmic rays in a disordered, diverging magnetic field is described. Eigenfunctions of the operator in the Boltzmann equation which describes the effects of adiabatic focusing and pitch angle scattering are defined and numerically evaluated. When the particle distribution function is expressed as a series of these focusing eigenfunctions, the Boltzmann equation is transformed into a matrix equation. A computer program was written which uses this matrix representation to calculate the distribution function as a function of distance, time, and pitch angle. In addition, an analytic expression for pseudodiffusion, which replaces classical diffusion when the guiding magnetic field is not rectilinear, is derived. It is shown that the theory of focused transport predicts many of the observed features of solar cosmic ray events. Application of the theory to extragalactic radio sources is also considered. To enable other investigators to apply this method, documented listings of the requisite computer programs are included. In a separate analysis, the effect that energy loss due to synchrotron radiation has on electron propagation in a rectilinear magnetic field is considered. It is shown that a synchrotron radiation region, defined as the region in which the density of electrons of a specific energy is nonzero, has a double-lobed structure even when the electrons are injected into the field isotropically. It is also shown that, because the electrons decay to a given energy almost simultaneously over a large area, a synchrotron radiation region can expand with a superluminal velocity. Application of the theory to radio galaxies and quasars is considered
A combined MPI-CUDA parallel solution of linear and nonlinear Poisson-Boltzmann equation.
Colmenares, José; Galizia, Antonella; Ortiz, Jesús; Clematis, Andrea; Rocchia, Walter
2014-01-01
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. PMID:25013789
A Combined MPI-CUDA Parallel Solution of Linear and Nonlinear Poisson-Boltzmann Equation
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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.
Obliger, Amaël; Duvail, Magali; Jardat, Marie; Coelho, Daniel; Békri, Samir; Rotenberg, Benjamin
2013-07-01
We report the calculation of all the transfer coefficients which couple the solvent and ionic fluxes through a charged pore under the effect of pressure, electrostatic potential, and concentration gradients. We use a combination of analytical calculations at the Poisson-Nernst-Planck and Navier-Stokes levels of description and mesoscopic lattice simulations based on kinetic theory. In the absence of added salt, i.e., when the only ions present in the fluid are the counterions compensating the charge of the surface, exact analytical expressions for the fluxes in cylindrical pores allow us to validate a new lattice-Boltzmann electrokinetics (LBE) scheme which accounts for the osmotic contribution to the transport of all species. The influence of simulation parameters on the numerical accuracy is thoroughly investigated. In the presence of an added salt, we assess the range of validity of approximate expressions of the fluxes computed from the linearized Poisson-Boltzmann equation by a systematic comparison with LBE simulations. PMID:23944561
The electron Boltzmann equation in a plasma generated by fission fragments
Hassan, H. A.; Deese, J. E.
1976-01-01
A Boltzmann equation formulation is presented for the determination of the electron distribution function in a plasma generated by fission fragments. The formulation takes into consideration ambipolar diffusion, elastic and inelastic collisions, recombination and ionization, and allows for the fact that the primary electrons are not monoenergetic. Calculations for He in a tube coated with fissionable material show that, over a wide pressure and neutron flux range, the distribution function is non-Maxwellian, but the electrons are essentially thermal. Moreover, about a third of the energy of the primary electrons is transferred into the inelastic levels of He. This fraction of energy transfer is almost independent of pressure and neutron flux but increases sharply in the presence of a sustainer electric field.
Radtke, Gregg A; Hadjiconstantinou, Nicolas G
2009-05-01
We present an efficient variance-reduced particle simulation technique for solving the linearized Boltzmann transport equation in the relaxation-time approximation used for phonon, electron, and radiative transport, as well as for kinetic gas flows. The variance reduction is achieved by simulating only the deviation from equilibrium. We show that in the limit of small deviation from equilibrium of interest here, the proposed formulation achieves low relative statistical uncertainty that is also independent of the magnitude of the deviation from equilibrium, in stark contrast to standard particle simulation methods. Our results demonstrate that a space-dependent equilibrium distribution improves the variance reduction achieved, especially in the collision-dominated regime where local equilibrium conditions prevail. We also show that by exploiting the physics of relaxation to equilibrium inherent in the relaxation-time approximation, a very simple collision algorithm with a clear physical interpretation can be formulated. PMID:19518597
Weak and strong coupling limits of the Boltzmann equation in the relaxation-time approximation
Jaiswal, Amaresh; Redlich, Krzysztof
2016-01-01
We consider a momentum dependent relaxation time for the Boltzmann equation in the relaxation time approximation. We employ a power law parametrization for the momentum dependence of the relaxation time, and calculate the shear and bulk viscosity, as well as, the charge and heat conductivity. We show, that for the two popular parametrizations, referred to as the linear and quadratic ansatz, one can obtain transport coefficients which corresponds to the weak and strong coupling regimes, respectively. We also show that, for a system of massless particles with vanishing chemical potential, the off-equilibrium corrections to the phase-space distribution function calculated with the quadratic ansatz are identical with those of the Grad's 14-moment method.
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The interaction between drifting carriers and traveling electromagnetic waves is considered within the context of the classical Boltzmann transport equation to compute the Casimir-Lifshitz force between media with small density of charge carriers, including dielectrics and intrinsic semiconductors. We expand upon our previous work (Phys. Rev. Lett. 2008, in press; arXiv:0805.1676) and derive in some detail the frequency-dependent reflection amplitudes in this theory and compute the corresponding Casimir free energy for a parallel plate configuration. We critically discuss the the issue of verification of the Nernst theorem of thermodynamics in Casimir physics, and explicitly show that our theory satisfies that theorem. Finally, we show how the theory of drifting carriers connects to previous computations of Casimir forces using spatial dispersion for the material boundaries.
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We propose to check and validate the approximations made in dissipative quantum transport (QT) simulations solved in the Non-equilibrium Green's Function formalism by comparing them with the exact solution of the linearized Boltzmann Transport Equation (LB) in the stationary regime. For that purpose, we calculate the phonon-limited electron and hole mobility in bulk Si and ultra-scaled Si nanowires for different crystal orientations 〈100〉, 〈110〉, and 〈111〉. In both QT and LB simulations, we use the same sp3d5s* tight-binding model to describe the electron/hole properties and the same valence-force-field approach to account for the phonon properties. It is found that the QT simplifications work well for electrons, but are less accurate for holes, where a renormalization of the phonon scattering strength is proved useful to improve the results
Rhyner, Reto; Luisier, Mathieu
2013-12-01
We propose to check and validate the approximations made in dissipative quantum transport (QT) simulations solved in the Non-equilibrium Green's Function formalism by comparing them with the exact solution of the linearized Boltzmann Transport Equation (LB) in the stationary regime. For that purpose, we calculate the phonon-limited electron and hole mobility in bulk Si and ultra-scaled Si nanowires for different crystal orientations ⟨100⟩, ⟨110⟩, and ⟨111⟩. In both QT and LB simulations, we use the same sp3d5s* tight-binding model to describe the electron/hole properties and the same valence-force-field approach to account for the phonon properties. It is found that the QT simplifications work well for electrons, but are less accurate for holes, where a renormalization of the phonon scattering strength is proved useful to improve the results.
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We present an analytical solution to the collisionless Boltzmann equation for describing the distribution function of molecular ensembles subject to an external periodic traveling force of pulsed optical fields. We apply our solution to study a pulsed standing wave mirror for neutral molecules, recently proposed [P. Ryytty et al., Phys. Rev. Lett. 84, 5074 (2000)]. Using our analytical solution we study the effects of the anharmonicity of optical potential on the reflectivity of the molecular mirror and the corresponding optimal pulse duration. We demonstrate that the reflectivity of the molecular mirror can be significantly improved by optimizing the pulse duration of the external optical fields when taking into account the anharmonicity of molecular motion
Cumulant solution of the elastic Boltzmann transport equation in an infinite uniform medium
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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
Chiloyan, Vazrik; Zeng, Lingping; Huberman, Samuel; Maznev, Alexei A.; Nelson, Keith A.; Chen, Gang
2016-04-01
The phonon Boltzmann transport equation (BTE) is a powerful tool for studying nondiffusive thermal transport. Here, we develop a new universal variational approach to solving the BTE that enables extraction of phonon mean free path (MFP) distributions from experiments exploring nondiffusive transport. By utilizing the known Fourier heat conduction solution as a trial function, we present a direct approach to calculating the effective thermal conductivity from the BTE. We demonstrate this technique on the transient thermal grating experiment, which is a useful tool for studying nondiffusive thermal transport and probing the MFP distribution of materials. We obtain a closed form expression for a suppression function that is materials dependent, successfully addressing the nonuniversality of the suppression function used in the past, while providing a general approach to studying thermal properties in the nondiffusive regime.
Romano, Giuseppe; Esfarjani, Keivan; Strubbe, David A.; Broido, David; Kolpak, Alexie M.
2016-01-01
Nanostructured materials exhibit low thermal conductivity because of the additional scattering due to phonon-boundary interactions. As these interactions are highly sensitive to the mean free path (MFP) of phonons, MFP distributions in nanostructures can be dramatically distorted relative to bulk. Here we calculate the MFP distribution in periodic nanoporous Si for different temperatures, using the recently developed MFP-dependent Boltzmann transport equation. After analyzing the relative contribution of each phonon branch to thermal transport in nanoporous Si, we find that at room temperature optical phonons contribute 17 % to heat transport, compared to 5 % in bulk Si. Interestingly, we observe a constant thermal conductivity over the range 200 K engineering, in which the bulk material and geometry are optimized concurrently.
Low-variance Monte Carlo Solutions of the Boltzmann Transport Equation
Hadjiconstantinou, Nicolas G; Baker, Lowell L
2009-01-01
We present and discuss a variance-reduced stochastic particle method for simulating the relaxation-time model of the Boltzmann transport equation. The present paper focuses on the dilute gas case, although the method is expected to directly extend to all fields (carriers) for which the relaxation-time approximation is reasonable. The variance reduction, achieved by simulating only the deviation from equilibrium, results in a significant computational efficiency advantage compared to traditional stochastic particle methods in the limit of small deviation from equilibrium. More specifically, the proposed method can efficiently simulate arbitrarily small deviations from equilibrium at a computational cost that is independent of the deviation from equilibrium, which is in sharp contrast to traditional particle methods.
Longaretti, Pierre-Yves
2016-01-01
These 1992 lectures notes present a powerful formalism mostly developed in the 1980s by Borderies, Goldreich and Tremaine to address planetary ring dynamical issues. These notes make a special emphasis on ring microphysics, quantified with the help of the moments of the Boltzmann equation. They also focus on the standard self-gravity model of narrow ring rigid precession, and on the physics of linear and nonlinear density waves. These notes have been corrected but only very marginally extended and not updated. They are provided both as an introduction to the streamline formalism and as a complement on some technical issues for my upcoming review ("Theory of Narrow rings and Sharp Edges") that will cover the physics not addressed here along with more recent developments. This review will appear in the "Planetary Ring System" book (C. Murray and M. Tiscareno, eds.), to be published later on this year at Cambridge University Press.
Hong, Liu; Yang, Zaibao; Zhu, Yi; Yong, Wen-An
2015-12-01
In this article, we propose a novel approach to construct macroscopic balance equations and constitutive equations describing various irreversible phenomena. It is based on the general principles of non-equilibrium thermodynamics and consists of four basic steps: picking suitable state variables, choosing a strictly concave entropy function, properly separating entropy fluxes and production rates, and determining a dissipation matrix. Our approach takes advantage of both extended irreversible thermodynamics and GENERIC formalisms and shows a direct correspondence with Levermore's moment-closure hierarchies for the Boltzmann equation. As a direct application, a new ten-moment model beyond the classical hierarchies is constructed and is shown to recover the Euler equations in the equilibrium state. These interesting results may put various macroscopic modeling approaches, starting from the general principles of non-equilibrium thermodynamics, on a solid microscopic foundation based on the Boltzmann equation.
Faghaninia, Alireza; Ager, Joel W.; Lo, Cynthia S.
2015-06-01
Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE) either rely heavily on experimental data (i.e., semiempirical), or utilize simplifying assumptions, such as the constant relaxation time approximation (BTE-cRTA). While these models offer valuable physical insights and accurate calculations of transport properties in some cases, they often lack sufficient accuracy—particularly in capturing the correct trends with temperature and carrier concentration. We present here a transport model for calculating low-field electrical drift mobility and Seebeck coefficient of n -type semiconductors, by explicitly considering relevant physical phenomena (i.e., elastic and inelastic scattering mechanisms). We first rewrite expressions for the rates of elastic scattering mechanisms, in terms of ab initio properties, such as the band structure, density of states, and polar optical phonon frequency. We then solve the linear BTE to obtain the perturbation to the electron distribution—resulting from the dominant scattering mechanisms—and use this to calculate the overall mobility and Seebeck coefficient. Therefore, we have developed an ab initio model for calculating mobility and Seebeck coefficient using the Boltzmann transport (aMoBT) equation. Using aMoBT, we accurately calculate electrical transport properties of the compound n -type semiconductors, GaAs and InN, over various ranges of temperature and carrier concentration. aMoBT is fully predictive and provides high accuracy when compared to experimental measurements on both GaAs and InN, and vastly outperforms both semiempirical models and the BTE-cRTA. Therefore, we assert that this approach represents a first step towards a fully ab initio carrier transport model that is valid in all compound semiconductors.
Fillion-Gourdeau, F; Herrmann, H J; Mendoza, M; Palpacelli, S; Succi, S
2013-10-18
We point out a formal analogy between the Dirac equation in Majorana form and the discrete-velocity version of the Boltzmann kinetic equation. By a systematic analysis based on the theory of operator splitting, this analogy is shown to turn into a concrete and efficient computational method, providing a unified treatment of relativistic and nonrelativistic quantum mechanics. This might have potentially far-reaching implications for both classical and quantum computing, because it shows that, by splitting time along the three spatial directions, quantum information (Dirac-Majorana wave function) propagates in space-time as a classical statistical process (Boltzmann distribution). PMID:24182245
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This paper derives an unbiased minimum variance estimator (UMVE) of a matrix exponential function of a normal wean. The result is then used to propose a reference scheme to solve Boltzmann/Bateman coupled equations, thanks to Monte Carlo transport codes. The last section will present numerical results on a simple example. (authors)
Fast Maximum Entropy Moment Closure Approach to Solving the Boltzmann Equation
Summy, Dustin; Pullin, Dale
2015-11-01
We describe a method for a moment-based solution of the Boltzmann Equation (BE). This is applicable to an arbitrary set of velocity moments whose transport is governed by partial-differential equations (PDEs) derived from the BE. The equations are unclosed, containing both higher-order moments and molecular-collision terms. These are evaluated using a maximum-entropy reconstruction of the velocity distribution function f (c , x , t) , from the known moments, within a finite-box domain of single-particle velocity (c) space. Use of a finite-domain alleviates known problems (Junk and Unterreiter, Continuum Mech. Thermodyn., 2002) concerning existence and uniqueness of the reconstruction. Unclosed moments are evaluated with quadrature while collision terms are calculated using any desired method. This allows integration of the moment PDEs in time. The high computational cost of the general method is greatly reduced by careful choice of the velocity moments, allowing the necessary integrals to be reduced from three- to one-dimensional in the case of strictly 1D flows. A method to extend this enhancement to fully 3D flows is discussed. Comparison with relaxation and shock-wave problems using the DSMC method will be presented. Partially supported by NSF grant DMS-1418903.
Continuous surface force based lattice Boltzmann equation method for simulating thermocapillary flow
Zheng, Lin; Zheng, Song; Zhai, Qinglan
2016-02-01
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.
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Riotto, A. [European Organization for Nuclear Research, Geneva (Switzerland). Theory Div.
1998-05-04
The closed time path (CTP) formalism is a powerful Green function formulation to describe non-equilibrium phenomena in field theory and it leads to a complete non-equilibrium quantum kinetic theory. In this paper we make use of the CTP 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 transport theory and are not present in the classical approach. The slowdown of the relaxation processes may keep the system out of equilibrium for longer times and therefore enhance the final baryon asymmetry. We also stress that the classical approximation is not adequate to describe the quantum interference nature of CP violation and that a quantum approach should be adopted to compute the sources since they are most easily built up by the transmission of low momentum particles. (orig.). 26 refs.
Numerical flow solutions on a backward-facing step using the lattice Boltzmann equation method
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Elkin Florez
2011-05-01
Full Text Available Numerical solutions of 2-D laminar flow over a backward-facing step using the lattice Boltzmann equation method (LBEM are presented in this article. Unlike conventional numerical schemes based on macroscopic continuum equation (mass conservation and Navier-Stokes discretisation, the LBEM is based on microscopic models and mesoscopic kinetic equations. The simulations were validated for a wide range of Reynolds numbers (100 £ Re £ 1,000, comparing them to previous studies. Several flow features, such as primary and secondary vortex location at the bottom and top of the wall, respectively, were investigated regarding Reynolds number. Two typical classes of boundary condition were implemented in the LBEM model: the Drichlet condition at the inlet flow (parabolic speed profile and the Newman condition at the outlet flow (zero gradient speed. The results showed that the LBEM gave accurate results over a wide range of Reynolds number; these were compared with other numerical methods and experimental data.
Improved Multiple-Coarsening Methods for Sn Discretizations of the Boltzmann Equation
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Lee, B
2008-12-01
In a recent series of articles, the author presented a multiple-coarsening multigrid method for solving S{sub n} discretizations of the Boltzmann transport equation. This algorithm is applied to an integral equation for the scalar flux or moments. Although this algorithm is very efficient over parameter regimes that describe realistic neutron/photon transport applications, improved methods that can reduce the computational cost are presented in this paper. These improved methods are derived through a careful examination of the frequencies, particularly the near-nullspace, of the integral equation. In the earlier articles, the near-nullspace components were shown to be smooth in angle in the sense that the angular fluxes generated by these components are smooth in angle. In this paper, we present a spatial description of these near-nullspace components. Using the angular description of the earlier papers together with the spatial description reveals the intrinsic space-angle dependence of the integral equation's frequencies. This space-angle dependence is used to determine the appropriate space-angle grids to represent and efficiently attenuate the near-nullspace error components on. It will be shown that these components can have multiple spatial scales. By using only the appropriate space-angle grids that can represent these spatial scales in the original multiple-coarsening algorithm, an improved algorithm is obtained. Moreover, particularly for anisotropic scattering, recognizing the strong angle dependence of the angular fluxes generated by the high frequencies of the integral equation, another improved multiple-coarsening scheme is derived. Restricting this scheme to the appropriate space-angle grids produces a very efficient method.
A simple Boltzmann transport equation for ballistic to diffusive transient heat transport
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Developing simplified, but accurate, theoretical approaches to treat heat transport on all length and time scales is needed to further enable scientific insight and technology innovation. Using a simplified form of the Boltzmann transport equation (BTE), originally developed for electron transport, we demonstrate how ballistic phonon effects and finite-velocity propagation are easily and naturally captured. We show how this approach compares well to the phonon BTE, and readily handles a full phonon dispersion and energy-dependent mean-free-path. This study of transient heat transport shows (i) how fundamental temperature jumps at the contacts depend simply on the ballistic thermal resistance, (ii) that phonon transport at early times approach the ballistic limit in samples of any length, and (iii) perceived reductions in heat conduction, when ballistic effects are present, originate from reductions in temperature gradient. Importantly, this framework can be recast exactly as the Cattaneo and hyperbolic heat equations, and we discuss how the key to capturing ballistic heat effects is to use the correct physical boundary conditions
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.
Robson, R E; Winkler, R; Sigeneger, F
2002-05-01
The Boltzmann equation corresponding to a general "multiterm" representation of the phase space distribution function f(r,c,t) for charged particles in a gas in an electric field was reformulated entirely in terms of spherical tensors f(l)(m) some time ago, and numerous applications, including extension to time varying and crossed electric and magnetic fields, have followed. However, these applications have, by and large, been limited to the hydrodynamic conditions that prevail in swarm experiments and the full potential of the tensor formalism has thus never been realized. This paper resumes the discussion in the context of the more general nonhydrodynamic situation. Geometries for which a simple Legendre polynomial expansion suffices to represent f are discussed briefly, but the emphasis is upon cylindrical geometry, where such simplification does not arise. In particular, we consider an axisymmetric cylindrical column of weakly ionized plasma, and derive an infinite hierarchy of integrodifferential equations for the expansion coefficients of the phase space distribution function, valid for both electrons and ions, and for all types of binary interaction with neutral gas molecules. PMID:12059718
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This paper describes the development of two optimal discontinuous finite element (FE) Riemann methods and their application to the one-speed Boltzmann transport equation in the steady-state. The proposed methods optimise the amount of dissipation applied in the streamline direction. This dissipation is applied within an element using a novel Riemann FE method, which is based on an analogy between control volume discretisation methods and finite element methods when integration by parts is applied to the transport terms. In one-dimension the optimal finite element solutions match the analytical solution exactly at each outlet node. Both schemes couple elements in space via a Riemann approach. The first of the two schemes is a Petrov-Galerkin (PG) method which introduces dissipation via the equation residual. The second scheme uses a streamline diffusion stabilisation term in the discretisation. These two methods provide a discontinuous Petrov-Galerkin (DPG) scheme that can stabilise an element across the full range of radiation regimes, obtaining robust solutions with suppressed oscillation. Three basis functions in angle of particle travel have been implemented in an optimal DPG Riemann solver, which include the PN (spherical harmonic), SN (discrete ordinate) and LWN (linear octahedral wavelet) angular expansions. These methods are applied to a series of demanding two-dimensional radiation transport problems
The scattering kernel of the nonlinear Boltzmann equation and its expansion into spherical harmonics
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The method of polynomial approximation i.e. the expansion of the particle density into spherical harmonics, well-known in the linear transport theory, has been generalized by F. Schuerrer 1984 to the nonlinear Boltzmann equation. For practical purposes, a truncation of the series expansion after a few terms requires a good convergence of the scattering kernel expansion into Legendre polynomials. In the present work a few simple examples are used to investigate the convergence. In the most simple case, the elastic collision on a fixed target, the PN-approximations of the scattering kernel in the linear theory serves as a standard of reference for the nonlinear case. A parameter study shows the different approximations as compared to the exact function. Then a more realistic model, a Maxwell gas of target particles, of different temperatures is investigated. The results of this parameter study are represented by three-dimensional computer graphics. In the last chapter the results are applied to the system of moment equations where a considerable simplification is justified for nearly isotropic velocity distributions. It is concluded that nonlinear transport not-too-far from equilibrium can be well described by a Pn approximation. 8 refs., 35 figs. (qui)
Boltzmann-equation simulations of radio-frequency-driven, low-temperature plasmas
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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
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Purpose: To investigate the use of the linear Boltzmann transport equation as a dose calculation tool which can account for interface effects, while still having faster computation times than Monte Carlo methods. In particular, we introduce a forward scattering approximation, in hopes of improving calculation time without a significant hindrance to accuracy. Methods: Two coupled Boltzmann transport equations were constructed, one representing the fluence of photons within the medium, and the other, the fluence of electrons. We neglect the scattering term within the electron transport equation, resulting in an extreme forward scattering approximation to reduce computational complexity. These equations were then solved using a numerical technique for solving partial differential equations, known as a finite difference scheme, where the fluence at each discrete point in space is calculated based on the fluence at the previous point in the particle's path. Using this scheme, it is possible to develop a solution to the Boltzmann transport equations by beginning with boundary conditions and iterating across the entire medium. The fluence of electrons can then be used to find the dose at any point within the medium. Results: Comparisons with Monte Carlo simulations indicate that even simplistic techniques for solving the linear Boltzmann transport equation yield expected interface effects, which many popular dose calculation algorithms are not capable of predicting. Implementation of a forward scattering approximation does not appear to drastically reduce the accuracy of this algorithm. Conclusion: Optimized implementations of this algorithm have been shown to be very accurate when compared with Monte Carlo simulations, even in build up regions where many models fail. Use of a forward scattering approximation could potentially give a reasonably accurate dose distribution in a shorter amount of time for situations where a completely accurate dose distribution is not
A unified gas-kinetic scheme for continuum and rarefied flows IV: Full Boltzmann and model equations
Liu, Chang; Xu, Kun; Sun, Quanhua; Cai, Qingdong
2016-06-01
Fluid dynamic equations are valid in their respective modeling scales, such as the particle mean free path scale of the Boltzmann equation and the hydrodynamic scale of the Navier-Stokes (NS) equations. With a variation of the modeling scales, theoretically there should have a continuous spectrum of fluid dynamic equations. Even though the Boltzmann equation is claimed to be valid in all scales, many Boltzmann solvers, including direct simulation Monte Carlo method, require the cell resolution to the order of particle mean free path scale. Therefore, they are still single scale methods. In order to study multiscale flow evolution efficiently, the dynamics in the computational fluid has to be changed with the scales. A direct modeling of flow physics with a changeable scale may become an appropriate approach. The unified gas-kinetic scheme (UGKS) is a direct modeling method in the mesh size scale, and its underlying flow physics depends on the resolution of the cell size relative to the particle mean free path. The cell size of UGKS is not limited by the particle mean free path. With the variation of the ratio between the numerical cell size and local particle mean free path, the UGKS recovers the flow dynamics from the particle transport and collision in the kinetic scale to the wave propagation in the hydrodynamic scale. The previous UGKS is mostly constructed from the evolution solution of kinetic model equations. Even though the UGKS is very accurate and effective in the low transition and continuum flow regimes with the time step being much larger than the particle mean free time, it still has space to develop more accurate flow solver in the region, where the time step is comparable with the local particle mean free time. In such a scale, there is dynamic difference from the full Boltzmann collision term and the model equations. This work is about the further development of the UGKS with the implementation of the full Boltzmann collision term in the region
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Numerous lattice Boltzmann (LB) methods have been proposed for solution of the convection-diffusion equations (CDE). For the 2D problem, D2Q9, D2Q5 or D2Q4 velocity models are usually used. When LB convection-diffusion models are used to solve a CDE coupled with Navier-Stokes equations, boundary conditions are found to be critically important for accurately solving the coupled simulations. Following the idea of a regularized scheme (Latt et al 2008 Phys. Rev.E 77 056703), a regularized boundary condition for solving a CDE is proposed. A simple extrapolation scheme is also proposed for the Neumann boundary condition. Spatial accuracies of three existing and the proposed boundary conditions are discussed in details. The numerical evaluations are based on simulations of steady and unsteady natural convection flows in a cavity and an unsteady Taylor-Couette flow. Our studies show that the simplest D2Q4 model with terms of O(u) in the equilibrium distribution function is capable of obtaining results of equal accuracy as D2Q5 or D2Q9 models for the CDE. A slightly revised LB equation for solving a CDE that is used to cancel some unwanted terms does not seem to be necessary for incompressible flows. The regularized boundary condition for solving the CDE has second-order spatial accuracy and it is the best one in terms of the spatial accuracy. The regularized scheme and non-equilibrium extrapolation scheme are applicable to handle both the Dirichlet and Neumann boundary conditions. For the Neumann boundary condition with zero flux, all the five boundary conditions are applicable to give accurate results and the bounce-back scheme is the simplest one.
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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)
Lattice Boltzmann method for convection-diffusion equations with general interfacial conditions
Hu, Zexi; Huang, Juntao; Yong, Wen-An
2016-04-01
In this work, we propose an interfacial scheme accompanying the lattice Boltzmann method for convection-diffusion equations with general interfacial conditions, including conjugate conditions with or without jumps in heat and mass transfer, continuity of macroscopic variables and normal fluxes in ion diffusion in porous media with different porosity, and the Kapitza resistance in heat transfer. The construction of this scheme is based on our boundary schemes [Huang and Yong, J. Comput. Phys. 300, 70 (2015), 10.1016/j.jcp.2015.07.045] for Robin boundary conditions on straight or curved boundaries. It gives second-order accuracy for straight interfaces and first-order accuracy for curved ones. In addition, the new scheme inherits the advantage of the boundary schemes in which only the current lattice nodes are involved. Such an interfacial scheme is highly desirable for problems with complex geometries or in porous media. The interfacial scheme is numerically validated with several examples. The results show the utility of the constructed scheme and very well support our theoretical predications.
Shrinkage of bubbles and drops in the lattice Boltzmann equation method for nonideal gases.
Zheng, Lin; Lee, Taehun; Guo, Zhaoli; Rumschitzki, David
2014-03-01
One characteristic of multiphase lattice Boltzmann equation (LBE) methods is that the interfacial region has a finite (i.e., noninfinitesimal) thickness known as a diffuse interface. In simulations of, e.g., bubble or drop dynamics, for problems involving nonideal gases, one frequently observes that the diffuse interface method produces a spontaneous, nonphysical shrinkage of the bubble or drop radius. In this paper, we analyze in detail a single-fluid two-phase model and use a LBE model for nonideal gases in order to explain this fundamental problem. For simplicity, we only investigate the static bubble or droplet problem. We find that the method indeed produces a density shift, bubble or droplet shrinkage, as well as a critical radius below which the bubble or droplet eventually vanishes. Assuming that the ratio between the interface thickness D and the initial bubble or droplet radius r0 is small, we analytically show the existence of this density shift, bubble or droplet radius shrinkage, and critical bubble or droplet survival radius. Numerical results confirm our analysis. We also consider droplets on a solid surface with different curvatures, contact angles, and initial droplet volumes. Numerical results show that the curvature, contact angle, and the initial droplet volume have an effect on this spontaneous shrinkage process, consistent with the survival criterion. PMID:24730962
High Order Finite Volume Nonlinear Schemes for the Boltzmann Transport Equation
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Bihari, B L; Brown, P N
2005-03-29
The authors apply the nonlinear WENO (Weighted Essentially Nonoscillatory) scheme to the spatial discretization of the Boltzmann Transport Equation modeling linear particle transport. The method is a finite volume scheme which ensures not only conservation, but also provides for a more natural handling of boundary conditions, material properties and source terms, as well as an easier parallel implementation and post processing. It is nonlinear in the sense that the stencil depends on the solution at each time step or iteration level. By biasing the gradient calculation towards the stencil with smaller derivatives, the scheme eliminates the Gibb's phenomenon with oscillations of size O(1) and reduces them to O(h{sup r}), where h is the mesh size and r is the order of accuracy. The current implementation is three-dimensional, generalized for unequally spaced meshes, fully parallelized, and up to fifth order accurate (WENO5) in space. For unsteady problems, the resulting nonlinear spatial discretization yields a set of ODE's in time, which in turn is solved via high order implicit time-stepping with error control. For the steady-state case, they need to solve the non-linear system, typically by Newton-Krylov iterations. There are several numerical examples presented to demonstrate the accuracy, non-oscillatory nature and efficiency of these high order methods, in comparison with other fixed-stencil schemes.
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Rhyner, Reto, E-mail: rhyner@iis.ee.ethz.ch; Luisier, Mathieu, E-mail: mluisier@iis.ee.ethz.ch [Integrated Systems Laboratory, ETH Zürich, Gloriastr. 35, 8092 Zürich (Switzerland)
2013-12-14
We propose to check and validate the approximations made in dissipative quantum transport (QT) simulations solved in the Non-equilibrium Green's Function formalism by comparing them with the exact solution of the linearized Boltzmann Transport Equation (LB) in the stationary regime. For that purpose, we calculate the phonon-limited electron and hole mobility in bulk Si and ultra-scaled Si nanowires for different crystal orientations 〈100〉, 〈110〉, and 〈111〉. In both QT and LB simulations, we use the same sp{sup 3}d{sup 5}s{sup *} tight-binding model to describe the electron/hole properties and the same valence-force-field approach to account for the phonon properties. It is found that the QT simplifications work well for electrons, but are less accurate for holes, where a renormalization of the phonon scattering strength is proved useful to improve the results.
Inhomogeneous similarity solutions of the Boltzmann equation with confining external forces
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The Nikolskii transform makes it possible to construct inhomogeneous solutions of the Boltzmann equation from homogeneous ones. These solutions correspond to a gas in expansion, but if the authors introduce external forces, they can relax toward absolute Maxwellians. This property holds independently of the assumed intermolecular inverse power force. Consequently, for Maxwell molecules and from energy-dependent homogeneous distributions, they construct effectively a class of inhomogeneous similarity distributions with Maxwellian equilibrium relaxation. They review and investigate again the homogeneous distributions which can be written in closed form, for instance, they show that an elliptic exact solution proposed some years ago violates positivity. For Maxwell interaction with singular cross sections, they numerically construct inhomogeneous distributions having Maxwellian equilibrium states and study the Tjon overshoot effect. They show that both the sign and the time decrease of the external force as well as the microscopic model of the cross section contribute to the asymptotic behavior of the distribution. These inhomogeneous similarity solutions include a class of distributions that asymptotically oscillate between different Maxwellians. Two classes of external forces are considered: linear spatial-dependent forces or linear velocity-dependent forces plus source term
On anisotropy function in crystal growth simulations using Lattice Boltzmann equation
Younsi, Amina
2016-01-01
In this paper, we present the ability of the Lattice Boltzmann (LB) equation, usually applied to simulate fluid flows, to simulate various shapes of crystals. Crystal growth is modeled with a phase-field model for a pure substance, numerically solved with a LB method in 2D and 3D. This study focuses on the anisotropy function that is responsible for the anisotropic surface tension between the solid phase and the liquid phase. The anisotropy function involves the unit normal vectors of the interface, defined by gradients of phase-field. Those gradients have to be consistent with the underlying lattice of the LB method in order to avoid unwanted effects of numerical anisotropy. Isotropy of the solution is obtained when the directional derivatives method, specific for each lattice, is applied for computing the gradient terms. With the central finite differences method, the phase-field does not match with its rotation and the solution is not any more isotropic. Next, the method is applied to simulate simultaneous...
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This paper presents some elements of a new approach to solve analytically the linearized three-dimensional (3-D) transport equation of neutral particles. Since this task is of such special importance, we present some results of a paper that is still in progress. The most important is that using this transformation, an integro-differential equation with an analytical solution is obtained. For this purpose, a simplest 3-D equation is being considered which describes the transport process in an infinite medium. Until now, this equation has been analytically considered either using the Laplace transform with respect to time parameter t or applying the Fourier transform over the space coordinate. Both of them reduce the number of differential terms in the equation; however, evaluation of the inverse transformation is complicated. In this paper, we introduce for the first time a Fourier transform induced by the Boltzmann operator. For this, we use a complete set of 3-D eigenfunctions of the Boltzmann transport operator defined in a similar way as those that have been already used in 3-D transport theory as a basic set to transform the transport equation. This set consists of a continuous part and a discrete one with spectral measure. The density distribution equation shows the known form asymptotic behavior. Several applications are to be performed using this equation and compared to the benchmark one. Such an analysis certainly would be out of the available space
Hashimoto, K.; Kanki, K.; Tanaka, S.; Petrosky, T.
2016-02-01
Irreversible processes of weakly coupled one-dimensional quantum perfect Lorentz gas are studied on the basis of the fundamental laws of physics in terms of the complex spectral analysis associated with the resonance state of the Liouville-von Neumann operator. Without any phenomenological operations, such as a coarse-graining of space-time, or a truncation of the higher order correlation, we obtained irreversible processes in a purely dynamical basis in all space and time scale including the microscopic atomic interaction range that is much smaller than the mean-free length. Based on this solution, a limitation of the usual phenomenological Boltzmann equation, as well as an extension of the Boltzmann equation to entire space-time scale, is discussed.
Jiang, Ning; Masmoudi, Nader
2015-01-01
We establish the incompressible Navier-Stokes-Fourier limit for solutions to the Boltzmann equation with a general cut-off collision kernel in a bounded domain. Appropriately scaled families of DiPerna-Lions-(Mischler) renormalized solutions with Maxwell reflection boundary conditions are shown to have fluctuations that converge as the Knudsen number goes to zero. Every limit point is a weak solution to the Navier-Stokes-Fourier system with different types of boundary conditions depending on ...
The Green's function for the three-dimensional linear Boltzmann equation via Fourier transform
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The linear Boltzmann equation with constant coefficients in the three-dimensional infinite space is revisited. It is known that the Green's function can be calculated via the Fourier transform in the case of isotropic scattering. In this paper, we show that the three-dimensional Green's function can be computed with the Fourier transform even in the case of arbitrary anisotropic scattering. (paper)
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A hybrid multigroup/continuous-energy Monte Carlo algorithm is developed for solving the Boltzmann-Fokker-Planck equation. This algorithm differs significantly from previous charged-particle Monte Carlo algorithms. Most importantly, it can be used to perform both forward and adjoint transport calculations, using the same basic multigroup cross-section data. The new algorithm is fully described, computationally tested, and compared with a standard condensed history algorithm for coupled electron-photon transport calculations
Tracy, C. A.; Widom, H.
1997-01-01
Using exact results from the theory of completely integrable systems of the Painleve/Toda type, we examine the consequences for the theory of polyelectrolytes in the (nonlinear) Poisson-Boltzmann approximation.
On the transparent conducting oxide Al doped ZnO: First Principles and Boltzmann equations study
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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.
A lattice-Boltzmann scheme of the Navier-Stokes equations on a 3D cuboid lattice
Min, Haoda; Peng, Cheng; Wang, Lian-Ping
2015-11-01
The standard lattice-Boltzmann method (LBM) for fluid flow simulation is based on a square (in 2D) or cubic (in 3D) lattice grids. Recently, two new lattice Boltzmann schemes have been developed on a 2D rectangular grid using the MRT (multiple-relaxation-time) collision model, by adding a free parameter in the definition of moments or by extending the equilibrium moments. Here we developed a lattice Boltzmann model on 3D cuboid lattice, namely, a lattice grid with different grid lengths in different spatial directions. We designed our MRT-LBM model by matching the moment equations from the Chapman-Enskog expansion with the Navier-Stokes equations. The model guarantees correct hydrodynamics. A second-order term is added to the equilibrium moments in order to restore the isotropy of viscosity on a cuboid lattice. The form and the coefficients of the extended equilibrium moments are determined through an inverse design process. An additional benefit of the model is that the viscosity can be adjusted independent of the stress-moment relaxation parameter, thus improving the numerical stability of the model. The resulting cuboid MRT-LBM model is then validated through benchmark simulations using laminar channel flow, turbulent channel flow, and the 3D Taylor-Green vortex flow.
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Lloyd, S. A. M.; Ansbacher, W. [Department of Physics and Astronomy, University of Victoria, Victoria, British Columbia V8W 3P6 (Canada); Department of Physics and Astronomy, University of Victoria, Victoria, British Columbia V8W 3P6 (Canada) and Department of Medical Physics, British Columbia Cancer Agency-Vancouver Island Centre, Victoria, British Columbia V8R 6V5 (Canada)
2013-01-15
Purpose: Acuros external beam (Acuros XB) is a novel dose calculation algorithm implemented through the ECLIPSE treatment planning system. The algorithm finds a deterministic solution to the linear Boltzmann transport equation, the same equation commonly solved stochastically by Monte Carlo methods. This work is an evaluation of Acuros XB, by comparison with Monte Carlo, for dose calculation applications involving high-density materials. Existing non-Monte Carlo clinical dose calculation algorithms, such as the analytic anisotropic algorithm (AAA), do not accurately model dose perturbations due to increased electron scatter within high-density volumes. Methods: Acuros XB, AAA, and EGSnrc based Monte Carlo are used to calculate dose distributions from 18 MV and 6 MV photon beams delivered to a cubic water phantom containing a rectangular high density (4.0-8.0 g/cm{sup 3}) volume at its center. The algorithms are also used to recalculate a clinical prostate treatment plan involving a unilateral hip prosthesis, originally evaluated using AAA. These results are compared graphically and numerically using gamma-index analysis. Radio-chromic film measurements are presented to augment Monte Carlo and Acuros XB dose perturbation data. Results: Using a 2% and 1 mm gamma-analysis, between 91.3% and 96.8% of Acuros XB dose voxels containing greater than 50% the normalized dose were in agreement with Monte Carlo data for virtual phantoms involving 18 MV and 6 MV photons, stainless steel and titanium alloy implants and for on-axis and oblique field delivery. A similar gamma-analysis of AAA against Monte Carlo data showed between 80.8% and 87.3% agreement. Comparing Acuros XB and AAA evaluations of a clinical prostate patient plan involving a unilateral hip prosthesis, Acuros XB showed good overall agreement with Monte Carlo while AAA underestimated dose on the upstream medial surface of the prosthesis due to electron scatter from the high-density material. Film measurements
International Nuclear Information System (INIS)
Purpose: Acuros external beam (Acuros XB) is a novel dose calculation algorithm implemented through the ECLIPSE treatment planning system. The algorithm finds a deterministic solution to the linear Boltzmann transport equation, the same equation commonly solved stochastically by Monte Carlo methods. This work is an evaluation of Acuros XB, by comparison with Monte Carlo, for dose calculation applications involving high-density materials. Existing non-Monte Carlo clinical dose calculation algorithms, such as the analytic anisotropic algorithm (AAA), do not accurately model dose perturbations due to increased electron scatter within high-density volumes. Methods: Acuros XB, AAA, and EGSnrc based Monte Carlo are used to calculate dose distributions from 18 MV and 6 MV photon beams delivered to a cubic water phantom containing a rectangular high density (4.0–8.0 g/cm3) volume at its center. The algorithms are also used to recalculate a clinical prostate treatment plan involving a unilateral hip prosthesis, originally evaluated using AAA. These results are compared graphically and numerically using gamma-index analysis. Radio-chromic film measurements are presented to augment Monte Carlo and Acuros XB dose perturbation data. Results: Using a 2% and 1 mm gamma-analysis, between 91.3% and 96.8% of Acuros XB dose voxels containing greater than 50% the normalized dose were in agreement with Monte Carlo data for virtual phantoms involving 18 MV and 6 MV photons, stainless steel and titanium alloy implants and for on-axis and oblique field delivery. A similar gamma-analysis of AAA against Monte Carlo data showed between 80.8% and 87.3% agreement. Comparing Acuros XB and AAA evaluations of a clinical prostate patient plan involving a unilateral hip prosthesis, Acuros XB showed good overall agreement with Monte Carlo while AAA underestimated dose on the upstream medial surface of the prosthesis due to electron scatter from the high-density material. Film measurements support
Ausloos, M.
2000-09-01
Recent observations have indicated that the traditional equilibrium market hypothesis (EMH; also known as Efficient Market Hypothesis) is unrealistic. It is shown here that it is the analog of a Boltzmann equation in physics, thus having some bad properties of mean-field approximations like a Gaussian distribution of price fluctuations. A kinetic theory for prices can be simply derived, considering in a first approach that market actors have all identical relaxation times, and solved within a Chapman-Enskog like formalism. In closing the set of equations, (i) an equation of state with a pressure and (ii) the equilibrium (isothermal) equation for the price (taken as the order parameter) of a stock as a function of the volume of money available are obtained.
Lattice Boltzmann equation calculation of internal, pressure-driven turbulent flow
Hammond, L A; 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 sup 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.
A high-order Petrov-Galerkin method for the Boltzmann transport equation
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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
Rukolaine, Sergey A.
2016-05-01
In classical kinetic models a particle free path distribution is exponential, but this is more likely to be an exception than a rule. In this paper we derive a generalized linear Boltzmann equation (GLBE) for a general free path distribution in the framework of Alt's model. In the case that the free path distribution has at least first and second finite moments we construct an asymptotic solution to the initial value problem for the GLBE for small mean free paths. In the special case of the one-speed transport problem the asymptotic solution results in a diffusion approximation to the GLBE.
International Nuclear Information System (INIS)
This paper considers the time- and space-dependent linear Boltzmann equation for elastic or inelastic (granular) collisions. First, in the angular cut-off case or with hard sphere collisions, mild L1-solutions are constructed as limits of iterate functions. Then, in the case of hard sphere collisions together with, e.g., specular boundary conditions, global boundedness in time of higher velocity moments is proved, using our old collision velocity estimates together with a Jensen inequality. This generalizes our earlier results for hard inverse collision forces, and also results given by other authors from the space-homogeneous case to our space-dependent one.
de Urquijo, Jaime; Basurto, E.; Juarez, A. M.; Ness, Kevin; Robson, Robert; Brunger, Michael; White, Ron
2014-10-01
The drift velocity of electrons in mixtures of gaseous water with helium and argon are measured over the range of reduced electric fields from 0--300 Td using a pulsed-Townsend technique. Small admixtures of water to both helium and argon are found to produce negative differential conductivity (NDC), despite NDC being absent from the pure gases. Comparison of the measured drift velocities with those calculated from a multi-term solution of Boltzmann's equation provides a further discriminative assessment on the accuracy and completeness of electron water vapour cross-sections. Funding acknowledgements: ARC, Mexican govt (PAPIIT IN 111014).
Alonso, Ricardo J
2011-01-01
We study the uniqueness and regularity of the steady states of the diffusively driven Boltzmann equation in the physically relevant case where the restitution coefficient depends on the impact velocity including, in particular, the case of viscoelastic hard-spheres. We adopt a strategy which is novel in several aspects, in particular, the study of regularity does not requires a priori knowledge of the time-dependent problem. Furthermore, the uniqueness result is obtained in the small thermalization regime by studying the so-called quasi-elastic limit for the problem. An important new aspect lies in the fact that no entropy functional inequality is needed in the limiting process.
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The one-dimensional linear homogeneous Boltzmann equation is solved for a binary mixture of quasi-Maxwellian particles in the presence of a time-dependent external field. It is assumed that the charged particles move in a bath of neutral scatterers. The neutral scatterers are in thermal equilibrium and the concentration of the charged particles is low enough to neglect collisions between them. Two cases are considered in detail, the constant and the periodic external field. The quantities calculated are the equilibrium and the stationary distribution function, respectively, from which any desired property can be derived. The solution of the Boltzmann equation for Maxwellian particles can be reduced to the solution of the so-called cold gas equation by employing the one-dimensional variant of a convolution theorem due to Wannier. The two limiting cases, the Lorentz gas (m/sub A/ → 0) and the Rayleigh gas (m/sub a/ → ∞) are treated explicitly. Furthermore, by computing the central moments, the deviations from the Gaussian approximation are discussed, and in particular the large-velocity tails are evaluated
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This thesis looks into some qualitative properties, of dynamical systems occurring as ordinary differential equations. Essential information about the structure of the solution can be obtained without explicitly solving a linear system of differential equations with constant coefficients. This can be achieved by decomposing the operator of such a system into a semisimple and a nilpotent part. Fundamental theorems, concerning the existence of the solutions are discussed as well as the problem of stability of equilibrium points in dynamical systems (Liapunov's theorem). Gradient systems, special forms of dynamical systems, have particular properties that simplify the analysis of their flow. Finally, by applying the theory of dynamical systems to the Boltzmann equation with constant collision frequencies an investigation of equilibrium points is carried out. A mixture of three gases consisting of particles that interact through different collision mechanisms serves as the physical model. (Suda)
Hu, Kainan; Geng, Shaojuan
2016-01-01
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...
Estimates of solutions of linear Boltzmann equation at large time and spectral singularities
Romanov, Roman
2010-01-01
The spectral analysis of the dissipative linear transport (Boltzmann) operator with polynomial collision integral by the Szokefalvi-Nagy - Foias functional model is given. An exact estimate for the reminder in the asymptotic of the corresponding evolution semigroup is proved in the isotropic case. In the general case, it is shown that the operator has finitely many eigenvalues and spectral singularities and an absolutely continuous essential spectrum, and an upper estimate for the reminder is established.
Sun, Hao; Wu, Yi; Rong, Mingzhe; Guo, Anxiang; Han, Guiquan; Lu, Yanhui
2016-03-01
In this paper, the dielectric properties of CO2, CO2/air, CO2/O2, CO2/N2, CO2/CF4, CO2/CH4, CO2/He, CO2/H2, CO2/NH3 and CO2/CO were investigated based on the Boltzmann equation analysis, in which the reduced critical electric field strength (E/N)cr of the gases was derived from the calculated electron energy distribution function (EEDF) by solving the Boltzmann transport equation. In this work, it should be noted that the fundamental data were carefully selected by the published experimental results and calculations to ensure the validity of the calculation. The results indicate that if He, H2, N2 and CH4, in which there are high ionization coefficients or a lack of attachment reactions, are added into CO2, the dielectric properties will decrease. On the other hand, air, O2, NH3 and CF4 (ranked in terms of (E/N)cr value in increasing order) have the potential to improve the dielectric property of CO2 at room temperature. supported in part by the National Key Basic Research Program of China (973 Program) (No. 2015CB251002), the Science and Technology Project Funds of the Grid State Corporation of China (No. SGSNK00KJJS1501564), National Natural Science Foundation of China (Nos. 51221005, 51577145), the Fundamental Research Funds for the Central Universities of China, and the Program for New Century Excellent Talents in University, China
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A spatially adaptive grid-refinement approach has been investigated to solve the even-parity Boltzmann transport equation. A residual based a posteriori error estimation scheme has been utilized for checking the approximate solutions for various finite element grids. The local particle balance has been considered as an error assessment criterion. To implement the adaptive approach, a computer program ADAFENT (adaptive finite elements for neutron transport) has been developed to solve the second order even-parity Boltzmann transport equation using K+ variational principle for slab geometry. The program has a core K+ module which employs Lagrange polynomials as spatial basis functions for the finite element formulation and Legendre polynomials for the directional dependence of the solution. The core module is called in by the adaptive grid generator to determine local gradients and residuals to explore the possibility of grid refinements in appropriate regions of the problem. The a posteriori error estimation scheme has been implemented in the outer grid refining iteration module. Numerical experiments indicate that local errors are large in regions where the flux gradients are large. A comparison of the spatially adaptive grid-refinement approach with that of uniform meshing approach for various benchmark cases confirms its superiority in greatly enhancing the accuracy of the solution without increasing the number of unknown coefficients. A reduction in the local errors of the order of 102 has been achieved using the new approach in some cases
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Handling the highly anisotropic scattering of fast neutrons with conventional methods usually means that high-order Legendre expansions are necessary to obtain correct angular fluxes. This drawback in standard transport calculations is avoided by applying the Boltzmann-Fokker-Planck (BEP) equation approach which has been used in both neutral and charged-particle transport problems. Previously, Caro and Ligou, and Morel have introduced Fokker-Planck decomposition methods, which decompose elastic scattering cross section into forward-peaked and smooth components. A new method for decomposing scattering cross sections for Boltzmann-Fokker-Planck equation is presented. We start from the basic data σs(μ)(given by ENDF/B-VI) to get more correctly determined BFP data. In this method, we use Legendre expansion for smooth component and exponential function, which Caro and Ligou used in their paper, for forward-peaked component. In addition, by using RMS errors and an extra degree of freedom (Y), we conserve both moment and scattering cross section
Bender, Carl M; Sarkar, Sarben
2013-01-01
The interplay of dilatonic effects in dilaton cosmology and stochastic quantum space-time defects within the framework of string/brane cosmologies is examined. The Boltzmann equation describes the physics of thermal dark-matter-relic abundances in the presence of rolling dilatons. These dilatons affect the coupling of stringy matter to D-particle defects, which are generic in string theory. This coupling leads to an additional source term in the Boltzmann equation. The techniques of asymptotic matching and boundary-layer theory, which were recently applied by two of the authors (CMB and SS) to a Boltzmann equation, are used here to find the detailed asymptotic relic abundances for all ranges of the expectation value of the dilaton field. The phenomenological implications for the search of supersymmetric dark matter in current colliders, such as the LHC, are discussed.
Halliday, I.; Lishchuk, S. V.; Spencer, T. J.; Pontrelli, G.; Evans, P. C.
2016-08-01
We present a method for applying a class of velocity-dependent forces within a multicomponent lattice Boltzmann equation simulation that is designed to recover continuum regime incompressible hydrodynamics. This method is applied to the problem, in two dimensions, of constraining to uniformity the tangential velocity of a vesicle membrane implemented within a recent multicomponent lattice Boltzmann simulation method, which avoids the use of Lagrangian boundary tracers. The constraint of uniform tangential velocity is carried by an additional contribution to an immersed boundary force, which we derive here from physical arguments. The result of this enhanced immersed boundary force is to apply a physically appropriate boundary condition at the interface between separated lattice fluids, defined as that region over which the phase-field varies most rapidly. Data from this enhanced vesicle boundary method are in agreement with other data obtained using related methods [e.g., T. Krüger, S. Frijters, F. Günther, B. Kaoui, and J. Harting, Eur. Phys. J. 222, 177 (2013), 10.1140/epjst/e2013-01834-y] and underscore the importance of a correct vesicle membrane condition.
Mathematical methods for the Boltzmann equation in the context of chemically reactive gases
Carvalho, Filipe Manuel Sampaio de
2013-01-01
Nesta tese desenvolveram-se alguns métodos matemáticos para tratar a equação de Boltzmann no contexto dos gases quimicamente reativos. Os problemas aqui abordados têm diversas aplicações práticas, refira-se por exemplo a combusto e outras aplicações da engenharia bem como da física e química. Primeiro estuda-se a influência do calor de reação na onda de detonação estacionária. Em seguida, analisa-se a influência do calor de reação, bem como da energia de ativação, no espetro de estabilidad...
Honey, David Alan
1989-12-01
The collisional Boltzmann equation was solved numerically to obtain excitation rates for use in a CO2 laser design program. The program was written in Microsoft QuickBasic for use on the IBM Personal Computer or equivalent. Program validation involved comparisons of computed transport coefficients with experimental data and previous theoretical work. Four different numerical algorithms were evaluated in terms of accuracy and efficiency. L-U decomposition was identified as the preferred approach. The calculated transport coefficients were found to agree with empirical data within one to five percent. The program was integrated into a CO2 laser design program. Studies were then performed to evaluate the effects on predicted laser output power and energy density as parameters affecting electron kinetics were changed. Plotting routines were written for both programs.
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.
White, R. D.; Robson, R. E.; Nicoletopoulos, P.; Dujko, S.
2012-05-01
The Franck-Hertz experiment with neon gas is modelled as an idealised steady-state Townsend experiment and analysed theoretically using (a) multi-term solution of Boltzmann equation and (b) Monte-Carlo simulation. Theoretical electron periodic electron structures, together with the `window' of reduced fields in which they occur, are compared with experiment, and it is explained why it is necessary to account for all competing scattering processes in order to explain the observed experimental `wavelength'. The study highlights the fundamental flaws in trying to explain the observations in terms of a single, assumed dominant electronic excitation process, as is the case in text books and the myriad of misleading web sites.
Global well-posedness for the Fokker-Planck-Boltzmann equation in Besov-Chemin-Lerner type spaces
Liu, Zhengrong; Tang, Hao
2016-06-01
In this paper, motivated by [16], we use the Littlewood-Paley theory to establish some estimates on the nonlinear collision term, which enable us to investigate the Cauchy problem of the Fokker-Planck-Boltzmann equation. When the initial data is a small perturbation of the Maxwellian equilibrium state, under the Grad's angular cutoff assumption, the unique global solution for the hard potential case is obtained in the Besov-Chemin-Lerner type spaces C ([ 0 , ∞) ; L˜>ξ 2 (B2,rs)) with 1 ≤ r ≤ 2 and s > 3 / 2 or s = 3 / 2 and r = 1. Besides, we also obtain the uniform stability of the dependence on the initial data.
International Nuclear Information System (INIS)
A maximum principle for the time-dependent first-order Boltzmann equation is established in two independent ways:- by a generalized least squares method and by a method based on the properties of an appropriate bi-linear form. The second derivation suggests a metric for a Hilbert space which provides a geometrical interpretation of the variational principle. This interpretation leads to a Petrov-Galerkin method of Martin for time dependent transport. The maximum principle is used to define a figure of merit for the global error of any numerical solution for time dependent transport. The principle is used also to demonstrate the neutron conservation property of optimized numerical solutions, and the convergence of finite element methods based on the variational principle. (Author)
A multi-term solution of the space-time Boltzmann equation for electrons in gaseous and liquid Argon
Boyle, G J; Tattersall, W J; McEachran, R P; White, R D
2015-01-01
In a recent paper [1] the scattering and transport of excess electrons in liquid argon in the hydrodynamic regime was investigated, generalizing the seminal works of Lekner and Cohen [2,3] with modern scattering theory techniques and kinetic theory. In this paper, the discussion is extended to the non-hydrodynamic regime through the development of a full multi-term space-time solution of Boltzmann's equation for electron transport in gases and liquids using a novel operator-splitting method. A Green's function formalism is considered that enables flexible adaptation to various experimental systems. The spatio-temporal evolution of electrons in liquids in the hydrodynamic regime is studied for a benchmark model Percus-Yevick liquid as well as for liquid argon. The temporal evolution of Franck-Hertz oscillations are observed for liquids, with striking differences in the spatio-temporal development of the velocity distribution function components between the uncorrelated gas and true liquid approximations in arg...
Donko, Zoltan
2015-01-01
The Negative Differential Conductivity and Transient Negative Mobility effects in xenon gas are analyzed by a first-principles particle simulation technique and via an approximate solution of the Boltzmann transport equation (BE). The particle simulation method is devoid of the approximations that are traditionally adopted in the BE solutions in which (i) the distribution function is searched for in a two-term form, (ii) the Coulomb part of the collision integral for the anisotropic part of the distribution function is neglected, (iii) Coulomb collisions are treated as binary events, and (iv) the range of the electron-electron interaction is limited to a cutoff distance. The results obtained from the two methods are, for both effects, in good qualitative agreement, small differences are attributed to the approximations listed above.
Ahrens, Cory D
2014-01-01
The classical $S_n$ equations of Carlson and Lee have been a mainstay in multi-dimensional radiation transport calculations. In this paper, an alternative to the $S_n$ equations, the "Lagrange Discrete Ordinate" (LDO) equations are derived. These equations are based on an interpolatory framework for functions on the unit sphere in three dimensions. While the LDO equations retain the formal structure of the classical $S_n$ equations, they have a number of important differences. The LDO equations naturally allow the angular flux to be evaluated in directions other than those found in the quadrature set. To calculate the scattering source in the LDO equations, no spherical harmonic moments are needed--only values of the angular flux. Moreover, the LDO scattering source preserves the eigenstructure of the continuous scattering operator. The formal similarity of the LDO equations with the $S_n$ equations should allow easy modification of mature 3D $S_n$ codes such as PARTISN or PENTRAN to solve the LDO equations. ...
Institute of Scientific and Technical Information of China (English)
无
2009-01-01
The Boltzmann simplified velocity distribution function equation describing the gas transfer phenomena from various flow regimes will be explored and solved numerically in this study. The discrete velocity ordinate method of the gas kinetic theory is studied and applied to simulate the complex multi-scale flows. Based on the uncoupling technique on molecular movement and colliding in the DSMC method, the gas-kinetic finite difference scheme is constructed to directly solve the discrete velocity distribution functions by extending and applying the unsteady time-splitting method from computational fluid dynamics. The Gauss-type discrete velocity numerical quadrature technique for different Mach number flows is developed to evaluate the macroscopic flow parameters in the physical space. As a result, the gas-kinetic numerical algorithm is established to study the three-dimensional complex flows from rarefied transition to continuum regimes. The parallel strategy adapted to the gas-kinetic numerical algorithm is investigated by analyzing the inner parallel degree of the algorithm, and then the HPF parallel processing program is developed. To test the reliability of the present gas-kinetic numerical method, the three-dimensional complex flows around sphere and spacecraft shape with various Knudsen numbers are simulated by HPF parallel computing. The computational results are found in high resolution of the flow fields and good agreement with the theoretical and experimental data. The computing practice has confirmed that the present gas-kinetic algorithm probably provides a promising approach to resolve the hypersonic aerothermodynamic problems with the complete spectrum of flow regimes from the gas-kinetic point of view of solving the Boltzmann model equation.
On Benney type hydrodynamical systems and their Boltzmann-Vlasov equations kinetic models
International Nuclear Information System (INIS)
Some years ago Zakharov and Gibbon observed a very nice relation between the Benney type equation in hydrodynamics and the Vlasov equation of kinetic theory. These equations are generalized and put into the framework of infinite-dimensional Lie algebras associated to Lie algebra structures on rings of functions on finite-dimensional manifolds. This gives rise to a complete description of the Hamiltonian structure of both types of equations under consideration. In particular, their Lax type representations together with an infinite involutive hierarchy of conservation laws are obtained in an exact form. Some applications to chaotic many particle dynamical systems, turbulent fluid flows and swept volume analysis are considered. (author)
Basu, Prasad
2011-01-01
Following the original approach of Maxwell-Boltzmann(MB), we derive a 4-velocity distribution function for the relativistic ideal gas. This distribution function perfectly reduces to original MB distribution in the non-relativistic limit. We express the relativistic equation of state(EOS), $\\rho-\\rho_0=(\\gamma-1)^{-1}p$,\\ in the two equations: $\\rho=\\rho_0 f(\\lambda)$,\\ and $p=\\rho_0 g(\\lambda)$, where $\\lambda$\\ is a parameter related to the kinetic energy, hence the temperature, of the gas. In the both extreme limits, they give correct EOS:\\ $\\rho=3p$\\ in the ultra-relativistic, and\\ $\\rho-\\rho_0=3/2p$ in the non-relativistic regime. Using these equations the adiabatic index $\\gamma$ (=$\\frac{c_p}{c_v}$) and the sound speed $a_s$ are calculated as a function of $\\lambda$. They also satisfy the inequalities: $4/3 \\le \\gamma \\le 5/3$ and $a_s \\le \\frac{1}{\\sqrt{3}}$ perfectly.
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Starting from the phase space formulation of quantum mechanics, a relativistic transport equation describing the propagation of a particle through a medium is developed. In the second part of the paper, a transport equation of this type is solved using the Monte Carlo method (C.P.)
Péraud, Jean-Philippe M.; Hadjiconstantinou, Nicolas G.
2015-01-01
We derive the continuum equations and boundary conditions governing phonon-mediated heat transfer in the limit of small but finite mean free path from asymptotic solution of the linearized Boltzmann equation in the relaxation time approximation. Our approach uses the ratio of the mean free path to the characteristic system lengthscale, also known as the Knudsen number, as the expansion parameter to study the effects of boundaries on the breakdown of the Fourier descrition. We show that, in th...
International Nuclear Information System (INIS)
The kinetic theory of charged particles in gases has come a long way in the last 60 years or so, but many of the advances have yet to find their way into contemporary studies of low-temperature plasmas. This review explores the way in which this gap might be bridged, and focuses in particular on the analytic framework and numerical techniques for the solution of Boltzmann's equation for both electrons and ions, as well as on the development of fluid models and semi-empirical formulae. Both hydrodynamic and non-hydrodynamic regimes are considered and transport properties are calculated in various configurations of dc and ac electric and magnetic fields. We discuss in particular the duality in transport coefficients arising from non-conservative collisions (attachment, ionization). (review article)
Boltzmann-Equation Based Derivation of Balance Laws in Irreversible Thermodynamics
Hong, Liu; Yang, Zaibao; Zhu, Yi; Yong, Wen-An
2014-01-01
In this paper we propose a novel approach to construct macroscopic balance equations and constitutive equations describing various irreversible phenomena. It is based on the general principles of non-equilibrium thermodynamics and consists of four basic steps: picking suitable state variables, choosing a strictly concave entropy function, separating entropy fluxes and production rates properly, and determining a dissipation matrix. Our approach takes the advantage of both EIT and GENERIC form...
Sharp regularity properties for the non-cutoff spatially homogeneous Boltzmann equation
Glangetas, Leo; Li, Hao-Guang; Xu, Chao-Jiang
2014-01-01
Accepted to publish by "Kinetic and Related Models" In this work, we study the Cauchy problem for the spatially homogeneous non-cutoff Boltzamnn equation with Maxwellian molecules. We prove that this Cauchy problem enjoys Gelfand-Shilov regularizing effect, that means the smoothing properties is same as the Cauchy problem defined by the evolution equation associated to a fractional harmonic oscillator. The power of this fractional is exactly the singular index of non-cutoff collisional ker...
International Nuclear Information System (INIS)
This article presents a method for goal-based anisotropic adaptive methods for the finite element method applied to the Boltzmann transport equation. The neutron multiplication factor, keff, is used as the goal of the adaptive procedure. The anisotropic adaptive algorithm requires error measures for keff with directional dependence. General error estimators are derived for any given functional of the flux and applied to keff to acquire the driving force for the adaptive procedure. The error estimators require the solution of an appropriately formed dual equation. Forward and dual error indicators are calculated by weighting the Hessian of each solution with the dual and forward residual respectively. The Hessian is used as an approximation of the interpolation error in the solution which gives rise to the directional dependence. The two indicators are combined to form a single error metric that is used to adapt the finite element mesh. The residual is approximated using a novel technique arising from the sub-grid scale finite element discretisation. Two adaptive routes are demonstrated: (i) a single mesh is used to solve all energy groups, and (ii) a different mesh is used to solve each energy group. The second method aims to capture the benefit from representing the flux from each energy group on a specifically optimised mesh. The keff goal-based adaptive method was applied to three examples which illustrate the superior accuracy in criticality problems that can be obtained
Generalized Poisson-Boltzmann Equation Taking into Account Ionic Interaction and Steric Effects
Institute of Scientific and Technical Information of China (English)
刘新敏; 李航; 李睿; 田锐; 许晨阳
2012-01-01
Generalized Poisson l3oltzmann equation which takes into account both ionic interaction in bulk solution and steric effects of adsorbed ions has been suggested. We found that, for inorganic cations adsorption on negatively charged surface, the steric effect is not significant for surface charge density 〈 0.0032 C/dm2, while the ionic interaction is an important effect for electrolyte concentration 〉 0.15 tool/1 in bulk solution. We conclude that for most actual cases the original PB equation can give reliable result in describing inorganic cation adsorption.
International Nuclear Information System (INIS)
Purpose: 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. Methods: 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 cm2 field as well as a smaller 2 × 2 cm2 field. Results: 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. Conclusions: The
On convergence to equilibrium for solutions to the linear, space-inhomogeneous Boltzmann equation
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In this paper, the linear space-inhomogeneous transport equation for a distribution function (describing, for instance, a neutron distribution) in a bounded body with general boundary conditions is considered. Results on weak convergence to equilibrium, when t→ infinity, are given for general initial data, first in the cutoff case and then for infinite-range collision forces. To handle these problems, general H theorems (concerning monotonicity in time of convex entropy functionals) are presented. Furthermore, general results on collision invariants, i.e., on functions satisfying detailed balance relations in a binary collision, are given
Illg, Christian; Haag, Michael; Teeny, Nicolas; Wirth, Jens; Fähnle, Manfred
2016-03-01
Scatterings of electrons at quasiparticles or photons are very important for many topics in solid-state physics, e.g., spintronics, magnonics or photonics, and therefore a correct numerical treatment of these scatterings is very important. For a quantum-mechanical description of these scatterings, Fermi's golden rule is used to calculate the transition rate from an initial state to a final state in a first-order time-dependent perturbation theory. One can calculate the total transition rate from all initial states to all final states with Boltzmann rate equations involving Brillouin zone integrations. The numerical treatment of these integrations on a finite grid is often done via a replacement of the Dirac delta distribution by a Gaussian. The Dirac delta distribution appears in Fermi's golden rule where it describes the energy conservation among the interacting particles. Since the Dirac delta distribution is a not a function it is not clear from a mathematical point of view that this procedure is justified. We show with physical and mathematical arguments that this numerical procedure is in general correct, and we comment on critical points.
Paussa, A.; Esseni, D.
2013-03-01
This paper revisits the problem of the linearized Boltzmann transport equation (BTE), or, equivalently, of the momentum relaxation time, momentum relaxation time (MRT), for the calculation of low field mobility, which in previous works has been almost universally solved in approximated forms. We propose an energy driven discretization method that allows an exact determination of the relaxation time by solving a linear, algebraic problem, where multiple scattering mechanisms are naturally accounted for by adding the corresponding scattering rates before the calculation of the MRT, and without resorting to the semi-empirical Matthiessen's rule for the relaxation times. The application of our rigorous solution of the linearized BTE to a graphene bilayer reveals that, for a non monotonic energy relation, the relaxation time can legitimately take negative values with no unphysical implications. We finally compare the mobility calculations provided by an exact solution of the MRT problem with the results obtained with some of the approximations most frequently employed in the literature and so discuss their accuracy.
Cekmen, Z. C.; Dincer, M. S.
2009-07-01
The effective ionization coefficients and transport parameters such as electron mean energy drift velocity and transverse diffusion coefficient in binary and ultradilute SF6-Ar gas mixtures have been calculated for density reduced electric field strength E/N values from 10 to 400 Td. These calculations have been performed by using the two-term spherical harmonic expansion to obtain the numerical solution of the Boltzmann transport equation based on the finite element method under steady-state Townsend condition. In order to confirm the model and code developed in this study, the Reid ramp model has been used as a benchmark test and then effective ionization coefficients and transport parameters have been evaluated for SF6 contents of 1%, 10%, 25%, 50%, 70% and 100% in the binary mixture. Finally SF6 contents in the ultradilute mixtures of 0.1%, 0.3%, 0.5% and 0.7% are taken into account with the evaluated effective ionizations and transport parameters of electron mean energy, drift velocity and transverse diffusion coefficients.
Bisi, Marzia; Lods, Bertrand
2011-01-01
We consider the spatially homogeneous Boltzmann equation for inelastic hard-spheres (with constant restitution coefficient $\\alpha \\in (0,1)$) under the thermalization induced by a host medium with a fixed Maxwellian distribution. We prove uniqueness of the stationary solution (with given mass) in the weakly inelastic regime; i.e., for any inelasticity parameter $\\alpha \\in (\\alpha_0,1)$, with some constructive $\\alpha_0 \\in [0, 1)$. Our analysis is based on a perturbative argument which uses the knowledge of the stationary solution in the elastic limit and quantitative estimates of the convergence of stationary solutions as the inelasticity parameter goes to 1. In order to achieve this we give an accurate spectral analysis of the associated linearized collision operator in the elastic limit. Several qualitative properties of this unique steady state $F_\\alpha$ are also derived; in particular, we prove that $F_\\alpha$ is bounded from above and from below by two explicit universal (i.e. independent of $\\alpha$...
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Bankovic, A., E-mail: ana.bankovic@gmail.com [Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Belgrade (Serbia); Dujko, S. [Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Belgrade (Serbia); Centrum Wiskunde and Informatica (CWI), P.O. Box 94079, 1090 GB Amsterdam (Netherlands); ARC Centre for Antimatter-Matter Studies, School of Engineering and Physical Sciences, James Cook University, Townsville, QLD 4810 (Australia); White, R.D. [ARC Centre for Antimatter-Matter Studies, School of Engineering and Physical Sciences, James Cook University, Townsville, QLD 4810 (Australia); Buckman, S.J. [ARC Centre for Antimatter-Matter Studies, Australian National University, Canberra, ACT 0200 (Australia); Petrovic, Z.Lj. [Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Belgrade (Serbia)
2012-05-15
This work reports on a new series of calculations of positron transport properties in molecular hydrogen under the influence of spatially homogeneous electric field. Calculations are performed using a Monte Carlo simulation technique and multi term theory for solving the Boltzmann equation. Values and general trends of the mean energy, drift velocity and diffusion coefficients as a function of the reduced electric field E/n{sub 0} are reported here. Emphasis is placed on the explicit and implicit effects of positronium (Ps) formation on the drift velocity and diffusion coefficients. Two important phenomena arise; first, for certain regions of E/n{sub 0} the bulk and flux components of the drift velocity and longitudinal diffusion coefficient are markedly different, both qualitatively and quantitatively. Second, and contrary to previous experience in electron swarm physics, there is negative differential conductivity (NDC) effect in the bulk drift velocity component with no indication of any NDC for the flux component. In order to understand this atypical manifestation of the drift and diffusion of positrons in H{sub 2} under the influence of electric field, the spatially dependent positron transport properties such as number of positrons, average energy and velocity and spatially resolved rate for Ps formation are calculated using a Monte Carlo simulation technique. The spatial variation of the positron average energy and extreme skewing of the spatial profile of positron swarm are shown to play a central role in understanding the phenomena.
Priimak, Dmitri
2014-01-01
We present finite differences numerical algorithm for solving 2D spatially homogeneous Boltzmann transport equation for semiconductor superlattices (SL) subject to time dependant electric field along SL axis and constant perpendicular magnetic field. Algorithm is implemented in C language targeted to CPU and in CUDA C language targeted to commodity NVidia GPUs. We compare performance and merits of one implementation versus another and discuss various methods of optimization.
Priimak, Dmitri
2014-01-01
We present a finite difference numerical algorithm for solving two dimensional spatially homogeneous Boltzmann transport equation which describes electron transport in a semiconductor superlattice subject to crossed time dependent electric and constant magnetic fields. The algorithm is implemented both in C language targeted to CPU and in CUDA C language targeted to commodity NVidia GPU. We compare performances and merits of one implementation versus another and discuss various software optim...
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We present a finite difference numerical algorithm for solving two dimensional spatially homogeneous Boltzmann transport equation which describes electron transport in a semiconductor superlattice subject to crossed time dependent electric and constant magnetic fields. The algorithm is implemented both in C language targeted to CPU and in CUDA C language targeted to commodity NVidia GPU. We compare performances and merits of one implementation versus another and discuss various software optimisation techniques
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In this paper a new method for the discretization of the radiation transport equation is presented, based on a discontinuous Galerkin method in space and angle that allows for local refinement in angle where any spatial element can support its own angular discretization. To cope with the discontinuous spatial nature of the solution, a generalized Riemann procedure is required to distinguish between incoming and outgoing contributions of the numerical fluxes. A new consistent framework is introduced that is based on the solution of a generalized eigenvalue problem. The resulting numerical fluxes for the various possible cases where neighboring elements have an equal, higher or lower level of refinement in angle are derived based on tensor algebra and the resulting expressions have a very clear physical interpretation. The choice of discontinuous trial functions not only has the advantage of easing local refinement, it also facilitates the use of efficient sweep-based solvers due to decoupling of unknowns on a large scale thereby approaching the efficiency of discrete ordinates methods with local angular resolution. The approach is illustrated by a series of numerical experiments. Results show high orders of convergence for the scalar flux on angular refinement. The generalized Riemann upwinding procedure leads to stable and consistent solutions. Further the sweep-based solver performs well when used as a preconditioner for a Krylov method
Energy-Dependent Boltzmann Equation with Fission and Slowing-Down Kernels
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This paper presents a study of the energy-dependent neutron transport equation, using Case's method of singular eigenfunctions and considering a continuous energy variable (rather than a multigroup scheme). Both fission and slowing-down kernels are included in the analysis. Under the assumption of simple cross-sections laws, and plane symmetry, a completeness theorem and the Green's function are found for-the infinite medium, for both isotropic and anisotropic scattering, using rather general assumptions as to the slowing-down kernels (including convolution kernels) and, only in the anisotropic case, the generalized Greuling-Goertzel kernel. The crux of the completeness theorem is the inversion and analysis of the spectral properties of a continuous operator which acts upon the energy variable, and depends parametrically upon a complex variable z (with analyticity in some cut complex plane). For half-space problems, the Wiener-Hopf factorization of such an operator is a remarkably difficult problem. However, it can be performed if, for the slowing-down kernel, the Greuling-Goertzel approximation generalized to all its anisotropic components is used, in which case the Wiener-Hopf factorization gives another convolution operator. In this approximation the Milne problem is solved, and a study is made of the extrapolation length. There is a discussion of the difficulties introduced by fission kernels, with emphasis on the coexistence of space-energy separable modes with slowing-down transient modes. (author)
Kópházi, József; Lathouwers, Danny
2015-09-01
In this paper a new method for the discretization of the radiation transport equation is presented, based on a discontinuous Galerkin method in space and angle that allows for local refinement in angle where any spatial element can support its own angular discretization. To cope with the discontinuous spatial nature of the solution, a generalized Riemann procedure is required to distinguish between incoming and outgoing contributions of the numerical fluxes. A new consistent framework is introduced that is based on the solution of a generalized eigenvalue problem. The resulting numerical fluxes for the various possible cases where neighboring elements have an equal, higher or lower level of refinement in angle are derived based on tensor algebra and the resulting expressions have a very clear physical interpretation. The choice of discontinuous trial functions not only has the advantage of easing local refinement, it also facilitates the use of efficient sweep-based solvers due to decoupling of unknowns on a large scale thereby approaching the efficiency of discrete ordinates methods with local angular resolution. The approach is illustrated by a series of numerical experiments. Results show high orders of convergence for the scalar flux on angular refinement. The generalized Riemann upwinding procedure leads to stable and consistent solutions. Further the sweep-based solver performs well when used as a preconditioner for a Krylov method.
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Kópházi, József, E-mail: j.kophazi@imperial.ac.uk; Lathouwers, Danny, E-mail: d.lathouwers@tudelft.nl
2015-09-15
In this paper a new method for the discretization of the radiation transport equation is presented, based on a discontinuous Galerkin method in space and angle that allows for local refinement in angle where any spatial element can support its own angular discretization. To cope with the discontinuous spatial nature of the solution, a generalized Riemann procedure is required to distinguish between incoming and outgoing contributions of the numerical fluxes. A new consistent framework is introduced that is based on the solution of a generalized eigenvalue problem. The resulting numerical fluxes for the various possible cases where neighboring elements have an equal, higher or lower level of refinement in angle are derived based on tensor algebra and the resulting expressions have a very clear physical interpretation. The choice of discontinuous trial functions not only has the advantage of easing local refinement, it also facilitates the use of efficient sweep-based solvers due to decoupling of unknowns on a large scale thereby approaching the efficiency of discrete ordinates methods with local angular resolution. The approach is illustrated by a series of numerical experiments. Results show high orders of convergence for the scalar flux on angular refinement. The generalized Riemann upwinding procedure leads to stable and consistent solutions. Further the sweep-based solver performs well when used as a preconditioner for a Krylov method.
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The object of the present work is to draw up a basic set of orthogonal eigenfunctions; resolution of the one-velocity integral-differential Boltzmann equation; this in the case of a spherical geometry system. (author)
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External linking scripts between Monte Carlo transport codes and burnup codes, and complete integration of burnup capability into Monte Carlo transport codes, have been or are currently being developed. Monte Carlo linked burnup methodologies may serve as an excellent benchmark for new deterministic burnup codes used for advanced systems; however, there are some instances where deterministic methodologies break down (i.e., heavily angularly biased systems containing exotic materials without proper group structure) and Monte Carlo burn up may serve as an actual design tool. Therefore, researchers are also developing these capabilities in order to examine complex, three-dimensional exotic material systems that do not contain benchmark data. Providing a reference scheme implies being able to associate statistical errors to any neutronic value of interest like k(eff), reaction rates, fluxes, etc. Usually in Monte Carlo, standard deviations are associated with a particular value by performing different independent and identical simulations (also referred to as 'cycles', 'batches', or 'replicas'), but this is only valid if the calculation itself is not biased. And, as will be shown in this paper, there is a bias in the methodology that consists of coupling transport and depletion codes because Bateman equations are not linear functions of the fluxes or of the reaction rates (those quantities being always measured with an uncertainty). Therefore, we have to quantify and correct this bias. This will be achieved by deriving an unbiased minimum variance estimator of a matrix exponential function of a normal mean. The result is then used to propose a reference scheme to solve Boltzmann/Bateman coupled equations, thanks to Monte Carlo transport codes. Numerical tests will be performed with an ad hoc Monte Carlo code on a very simple depletion case and will be compared to the theoretical results obtained with the reference scheme. Finally, the statistical error propagation
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An extensive discussion of the analytical solution for the Poisson-Boltzmann equation in cylindrical symmetry for strong polyelectrolytes in the cell model is presented. The reduced mean electrostatic potential μ at finite dilutions is discussed in terms of its dependence on the polyelectrolyte equivalent concentration Ce, its charge density parameter ξ, and the distance of closest approach a of the counterions to the polyion. It is shown that in the limit a → 0 counterion condensation is expected. For more realistic nonzero values of a, the reduced potential μ at a given relative position r/R in the cell with radius R is practically independent of the linear charge density for ξ > 2, but its value depends on the product a2Ce. The value μ(a) of the reduced potential near the surface of the polyion is ξ-dependent, however, under the same conditions. A large fraction of all the counterions in the cell accumulate, on the average, in the neighborhood of the polyion, this fraction being larger the higher ξ is and the lower the product a2Ce is. The fraction of ions accumulated between the polyion surface at a and a distance from the polyion axis equal to the screening length 1/χ is high, reaching values exceeding 80% and being higher the smaller a2Ce is. This fraction of counterions (the open-quotes associatedclose quotes counterions) occupies a smaller part of the total cell volume than the counterions situated between 1/χ and R, which are characterized by a relatively low electrostatic interaction energy with the polyion, μ < 1 (the open-quotes freeclose quotescounterions). 22 refs., 11 figs
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The fundamental process for determining the electric discharge phenomena of gas which take various forms depending on the kinds of gas, gas pressure, relative position of electrodes and applied voltage, is the mutual collision of electrons, atoms, molecular ions and neutral atoms and molecules. The initial stage before the establishment of electric discharge seems to be in Townsend discharge region where the collision of electrons with neutral molecules and atoms mainly occurs, being the weakly ionized condition at low gas temperature. Recently, the breakdown phenomena of N2-O2 gas mixture is being examined for the purpose of clarifying the impulse break mechanism in low pressure air, and the energy distribution of electrons and the transport coefficients in N2, O2 and N2-O2 mixed gases are required to investigate closely the results. Here, the energy distribution and the transport coefficients of electrons in steady Townsend discharge region in N2 and O2 gases respectively were analyzed by using Boltzmann equation, as a preparatory stage. The analyzed results and the discussions on them are reported in each paragraph of the energy distribution and the mean energy of electrons, ionization coefficients and adhesion coefficients, electron drift speed and diffusion coefficients, and excitation frequencies for various electron levels. It was confirmed that each collision process for electrons and the cross-section used for the analysis were properly selected. The excitation frequencies of electrons for N2 and O2 gases concerning the band spectra emitted from discharge channels and the electron energy distribution at 200 V/cm-Torr or below of E/P0 were newly calculated, where E is electric field, and P0 is gas pressure at 0 deg C. (Wakatsuki, Y.)
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Purpose: To evaluate the dose distributions of an 192Ir source (model VS2000) in homogeneous water geometry calculated using a deterministic grid-based Boltzmann transport equation solver (GBBS) in the commercial treatment planning system (TPS) (BRACHYVISION-ACUROS v8.8). Methods: Using percent dose differences (%ΔD), the GBBS (BV-ACUROS) was compared to the (1) published TG-43 data, (2) MCNPX Monte Carlo (MC) simulations of the 192Ir source centered in a 15 cm radius water sphere, and (3) TG-43 output from the TPS using vendor supplied (BV-TG43-vendor) and user extended (BV-TG43-extended) 2D anisotropy functions F(r,θ). BV-ACUROS assumes 1 mm of NiTi cable, while the TPS TG-43 algorithm uses data based on a 15 cm cable. MC models of various cable lengths were simulated. Results: The MC simulations resulted in >20% dose deviations along the cable for 1, 2, and 3 mm cable lengths relative to 15 cm. BV-ACUROS comparisons with BV-TG43-vendor and BV-TG43-extended yielded magnitude of differences, consistent with those seen in MC simulations. However, differences >20% extended further (θ≤10 deg.) when using the vendor supplied anisotropy function Fven(r,θ). These differences were also seen in comparisons of F(r,θ) derived from the TPS output. Conclusions: The results suggest that %ΔD near the cable region is larger than previously estimated. The spatial distribution of the dose deviation is highly dependent on the reference TG-43 data used to compare to GBBS. The differences observed, while important to realize, should not have an impact on clinical dosimetry in homogeneous water.
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We describe the equivalence of discontinuous finite element methods and discrete ordinates methods for the angular discretization of the Boltzmann equation in slab geometry. We use the spectral Green's function (SGF) numerical method to solve the discrete ordinates equations on a digital computer. The SGF method is completely free from spatial truncation errors; therefore, we use the 'exact' solution generated by the SGF method to reconstruct the flux profile inside each node of the spatial grid. This scheme is referred to as the domain decomposition reconstruction scheme. Numerical results to three typical problems are presented. (author)
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The non-linear Boltzmann equation for free electrons in doped silicon in the presence of an electric field when also the electron-electron interactions are taken into account is reduced to a nonlinear Fokker-Planck equation that is solved by a strongly convergent iterative procedure starting from the linearized solution. In steady-state conditions an explicit solution for the electron distribution function f0(v) is given which is of a Chapman-Cowling-Davydov type. By means of the found f0(v) and a convenient extrapolation (beyond its validity range) of the Brooks-Herring cross-section for the impurity ions, the total collision frequency vm(v) for monumentum transfer in doped silicon is derived. In some v ranges, vm (v) ∝ 1/v which corresponds to the threshold of runaway conditions with consequent long time tails of the distribution function f0(v, t). Since f0(v) is the limit of f0(v, t) for t → ∞, reliable results for f0(v) obtained by the Monte Carlo method (which is the only one at present able to derive f0(v) when electron-electron interactions are not neglected) would demand 107 y of calculation. Limiting the Monte Carlo calculations to few months, the errors in f0(v) can be remarkable and are still appreciable in the calculations of the mobility μ and the transversal diffusion coefficient D (where the average over f0(v) reduces the errors that appear in f0(v) in narrow v ranges). Applications to μ and D are made using our explicit solutions for f0(v) and vm(v)
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Purpose: To investigate the dosimetric impact of the heterogeneity dose calculation Acuros (Transpire Inc., Gig Harbor, WA), a grid-based Boltzmann equation solver (GBBS), for brachytherapy in a cohort of cervical cancer patients. Methods and Materials: The impact of heterogeneities was retrospectively assessed in treatment plans for 26 patients who had previously received 192Ir intracavitary brachytherapy for cervical cancer with computed tomography (CT)/magnetic resonance-compatible tandems and unshielded colpostats. The GBBS models sources, patient boundaries, applicators, and tissue heterogeneities. Multiple GBBS calculations were performed with and without solid model applicator, with and without overriding the patient contour to 1 g/cm3 muscle, and with and without overriding contrast materials to muscle or 2.25 g/cm3 bone. Impact of source and boundary modeling, applicator, tissue heterogeneities, and sensitivity of CT-to-material mapping of contrast were derived from the multiple calculations. American Association of Physicists in Medicine Task Group 43 (TG-43) guidelines and the GBBS were compared for the following clinical dosimetric parameters: Manchester points A and B, International Commission on Radiation Units and Measurements (ICRU) report 38 rectal and bladder points, three and nine o’clock, and D2cm3 to the bladder, rectum, and sigmoid. Results: Points A and B, D2 cm3 bladder, ICRU bladder, and three and nine o’clock were within 5% of TG-43 for all GBBS calculations. The source and boundary and applicator account for most of the differences between the GBBS and TG-43 guidelines. The D2cm3 rectum (n = 3), D2cm3 sigmoid (n = 1), and ICRU rectum (n = 6) had differences of >5% from TG-43 for the worst case incorrect mapping of contrast to bone. Clinical dosimetric parameters were within 5% of TG-43 when rectal and balloon contrast were mapped to bone and radiopaque packing was not overridden. Conclusions: The GBBS has minimal impact on clinical
Péraud, Jean-Philippe M.; Hadjiconstantinou, Nicolas G.
2016-01-01
We derive the continuum equations and boundary conditions governing phonon-mediated heat transfer in the limit of a small but finite mean-free path from the asymptotic solution of the linearized Boltzmann equation in the relaxation time approximation. Our approach uses the ratio of the mean-free path to the characteristic system length scale, also known as the Knudsen number, as the expansion parameter to study the effects of boundaries on the breakdown of the Fourier description. We show that, in the bulk, the traditional heat conduction equation using Fourier's law as a constitutive relation is valid at least up to second order in the Knudsen number for steady problems and first order for time-dependent problems. However, this description does not hold within distances on the order of a few mean-free paths from the boundary; this breakdown is a result of kinetic effects that are always present in the boundary vicinity and require solution of a Boltzmann boundary layer problem to be determined. Matching the inner, boundary layer solution to the outer, bulk solution yields boundary conditions for the Fourier description as well as additive corrections in the form of universal kinetic boundary layers; both are found to be proportional to the bulk-solution gradients at the boundary and parametrized by the material model and the phonon-boundary interaction model (Boltzmann boundary condition). Our derivation shows that the traditional no-jump boundary condition for prescribed temperature boundaries and the no-flux boundary condition for diffusely reflecting boundaries are appropriate only to zeroth order in the Knudsen number; at higher order, boundary conditions are of the jump type. We illustrate the utility of the asymptotic solution procedure by demonstrating that it can be used to predict the Kapitza resistance (and temperature jump) associated with an interface between two materials. All results are validated via comparisons with low-variance deviational Monte
Raines, Alla
2015-01-01
Numerical solution of non-steady problems of supersonic inflow of a binary mixture of a rarefied gas on a normally posed wall with mirror and diffuse reflection laws is obtained on the basis of the kinetic Boltzmann equation for the model of hard sphere molecules. For calculation of collision integrals we apply the projection method, developed by Tcheremissine for a one-component gas and generalized by the author for a binary gas mixture in the case of cylindrical symmetry. We demonstrate a good qualitative agreement of our results with other authors for one-component gases.
André, Raíla
2014-01-01
In this work we analyze the dynamics of collisionless self-gravitating systems described by the f(R)-gravity and Boltzmann equation in the weak field approximation, focusing on the Jeans instability for theses systems. The field equations in this approximation were obtained within the Palatini formalism. Through the solution of coupled equations we achieved the collapse criterion for infinite homogeneous fluid and stellar systems, which is given by a dispersion relation. This result is compared with the results of the standard case and the case for f(R)-gravity in metric formalism, in order to see the difference among them. The limit of instability varies according to which theory of gravity is adopted.
Noronha, Jorge
2015-01-01
In this paper we obtain an analytical solution of the relativistic Boltzmann equation under the relaxation time approximation that describes the out-of-equilibrium dynamics of a radially expanding massless gas. This solution is found by mapping this expanding system in flat spacetime to a static flow in the curved spacetime $\\mathrm{AdS}_{2}\\otimes \\mathrm{S}_{2}$. We further derive explicit analytic expressions for the momentum dependence of the single particle distribution function as well as for the spatial dependence of its moments. We find that this dissipative system has the ability to flow as a perfect fluid even though its entropy density does not match the equilibrium form. The non-equilibrium contribution to the entropy density is shown to be due to higher order scalar moments (which possess no hydrodynamical interpretation) of the Boltzmann equation that can remain out of equilibrium but do not couple to the energy-momentum tensor of the system. Thus, in this system the slowly moving hydrodynamic d...
Ludwig Boltzmann: Atomic genius
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On the centenary of the death of Ludwig Boltzmann, Carlo Cercignani examines the immense contributions of the man who pioneered our understanding of the atomic nature of matter. The man who first gave a convincing explanation of the irreversibility of the macroscopic world and the symmetry of the laws of physics was the Austrian physicist Ludwig Boltzmann, who tragically committed suicide 100 years ago this month. One of the key figures in the development of the atomic theory of matter, Boltzmann's fame will be forever linked to two fundamental contributions to science. The first was his interpretation of 'entropy' as a mathematically well-defined measure of the disorder of atoms. The second was his derivation of what is now known as the Boltzmann equation, which describes the statistical properties of a gas as made up of molecules. The equation, which described for the first time how a probability can evolve with time, allowed Boltzmann to explain why macroscopic phenomena are irreversible. The key point is that while microscopic objects like atoms can behave reversibly, we never see broken coffee cups reforming because it would involve a long series of highly improbable interactions - and not because it is forbidden by the laws of physics. (U.K.)
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We derive fluid neutral approximations for a simplified 1D edge plasma model, suitable to study the neutral behavior close to the target of a nuclear fusion divertor, and compare its solutions to the solution of the corresponding kinetic Boltzmann equation. The plasma is considered as a fixed background extracted from a detached 2D simulation. We show that the Maxwellian equilibrium distribution is already obtained very close to the target, justifying the use of a fluid approximation. We compare three fluid neutral models: (i) a diffusion model; (ii) a pressure-diffusion model (i.e., a combination of a continuity and momentum equation) assuming equal neutral and ion temperatures; and (iii) the pressure-diffusion model coupled to a neutral energy equation taking into account temperature differences between neutrals and ions. Partial reflection of neutrals reaching the boundaries is included in both the kinetic and fluid models. We propose two methods to obtain an incident neutral flux boundary condition for the fluid models: one based on a diffusion approximation and the other assuming a truncated Chapman-Enskog distribution. The pressure-diffusion model predicts the plasma sources very well. The diffusion boundary condition gives slightly better results overall. Although including an energy equation still improves the results, the assumption of equal ion and neutral temperature already gives a very good approximation
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Horsten, N., E-mail: niels.horsten@kuleuven.be; Baelmans, M. [KU Leuven, Department of Mechanical Engineering, Celestijnenlaan 300A, 3001 Leuven (Belgium); Dekeyser, W. [ITER Organization, route de Vinon-sur-Verdon, 13067 St. Paul lez Durance Cedex (France); Samaey, G. [KU Leuven, Department of Computer Science, Celestijnenlaan 200A, 3001 Leuven (Belgium)
2016-01-15
We derive fluid neutral approximations for a simplified 1D edge plasma model, suitable to study the neutral behavior close to the target of a nuclear fusion divertor, and compare its solutions to the solution of the corresponding kinetic Boltzmann equation. The plasma is considered as a fixed background extracted from a detached 2D simulation. We show that the Maxwellian equilibrium distribution is already obtained very close to the target, justifying the use of a fluid approximation. We compare three fluid neutral models: (i) a diffusion model; (ii) a pressure-diffusion model (i.e., a combination of a continuity and momentum equation) assuming equal neutral and ion temperatures; and (iii) the pressure-diffusion model coupled to a neutral energy equation taking into account temperature differences between neutrals and ions. Partial reflection of neutrals reaching the boundaries is included in both the kinetic and fluid models. We propose two methods to obtain an incident neutral flux boundary condition for the fluid models: one based on a diffusion approximation and the other assuming a truncated Chapman-Enskog distribution. The pressure-diffusion model predicts the plasma sources very well. The diffusion boundary condition gives slightly better results overall. Although including an energy equation still improves the results, the assumption of equal ion and neutral temperature already gives a very good approximation.
Maginot, Peter G.; Morel, Jim E.; Ragusa, Jean C.
2012-08-01
We present a new nonlinear spatial finite-element method for the linearized Boltzmann transport equation with Sn angular discretization in 1-D and 2-D Cartesian geometries. This method has two central characteristics. First, it is equivalent to the linear-discontinuous (LD) Galerkin method whenever that method yields a strictly non-negative solution. Second, it always satisfies both the zeroth and first spatial moment equations. Because it yields the LD solution when that solution is non-negative, one might interpret our method as a classical fix-up to the LD scheme. However, fix-up schemes for the LD equations derived in the past have given up solution of the first moment equations when the LD solution is negative in order to satisfy positivity in a simple manner. We present computational results comparing our method in 1-D to the strictly non-negative linear exponential-discontinuous method and to the LD method. We present computational results in 2-D comparing our method to a recently developed LD fix-up scheme and to the LD scheme. It is demonstrated that our method is a valuable alternative to existing methods.
Energy Technology Data Exchange (ETDEWEB)
Honey, D.A.
1989-12-01
The collisional Boltzmann equation was solved numerically to obtain excitation rates for use in a CO{sub 2} laser design program. The program was written in Microsoft QuickBasic for use on the IBM Personal Computer or equivalent. Program validation involved comparisons of computed transport coefficients with experimental data and previous theoretical work. Four different numerical algorithms were evaluated in terms of accuracy and efficiency. L-U decomposition was identified as the preferred approach. The calculated transport coefficients were found to agree with empirical data within one to five percent. The program was integrated into a CO{sub 2} laser design program. Studies were then performed to evaluate the effects on predicted laser output power and energy density as parameters affecting electron kinetics were changed. Plotting routines were written for both programs.
Energy Technology Data Exchange (ETDEWEB)
Wilcox, T.P. Jr.; Lent, E.M.
1988-12-02
COG is a Monte Carlo computer code designed to solve the Boltzmann equation for transporting neutrons and photons and in future versions, charged particles. Sixty-four different problems were run using the current versions of the COG code on Cray-1 and Cray/X-MP computers. In all cases, the calculated COG results either agree with the values known analytically for some problems or are within the statistical and uncertainties determined experimentally for the others. Problems such as these are referred to benchmark problems and form an important part of the validation of any new computer code. Benchmark problems are of value in that they are used to: check that the code works correctly; check that the physical data used in the code are correct; check that the user has learned to run the code properly; and understand the inherent errors associated with the calculated results. 22 refs., 21 figs., 10 tabs.
International Nuclear Information System (INIS)
Many calculations of the electrical conductivity of non-equilibrium MHD plasmas have been based on a simple two-temperature theory. This theory assumes that (a) the electron number density has the equilibrium (Saha) value corresponding to the electron temperature Te , and (b) the free electron energy distribution function f(u) is Maxwellian. The validity of assumption (a) has been studied by several authors who, however, used assumption (b) in their analyses. Assumption (b) has been less thoroughly studied. Because both excitation and ionization rates are sensitive to f(u) and bound states may be out of equilibrium due to radiative transitions, it is unrealistic to treat these two assumptions separately. This paper reports preliminary results of an investigation undertaken to establish the range of validity of the two-temperature theory for MHD plasmas by solving the Boltzmann equation for f(u) and the steady-state rate equations for the bound electronic states. The problem was attacked in three stages. First, f(u) was calculated from a Boltzmann equation including only the electric field and the elastic collision terms. The results showed that for typical MHD systems (e.g., Ar + K at 1 atm) .electron-electron collisions drive f(u) to Maxwellian. Second, the solution of the rate equations for a Maxwellian f(u), using a five-level caesium atomic model, demonstrated the importance of radiative transitions in determining the bound-state populations and magnitudes of the inelastic collision terms. The model atom consisted of four discrete states (6S; 6P,P'; 5D, D'; 7S) and a lumped state, to which were assigned various binding energies and degeneracies. Criteria for selecting the latter were based on the maximum stable orbit radius that would be likely for the plasmas of interest. Both the classical Bohr-Thomson and Gryzinski cross-sections were used to calculate the rate coefficients and collision terms for excitation, de-excitation, ionization, and three-body capture
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.
The method of spherical harmonics as an ansatz for the solution of non-linear Boltzmann equations
International Nuclear Information System (INIS)
A new coordinate-free representation of the differential scattering probability function of the binary self-collision leads to a scattering kernel which is particularly appropriate for the expansion in Legendre polynomials. Thus, the non-linear transport equation can be treated using the spherical harmonics method. Assuming the scattering in the centre-of-mass system to be isotropic, the non-linear moment equations of the particle distribution function are derived. (orig.)
International Nuclear Information System (INIS)
A quantum kinetic approach based on the Boltzmann equation is employed to describe the response of dielectric and semiconductor materials to high electronic excitation induced by laser irradiation. The formalism describes from the initial photo-ionization inter-band processes through free carrier absorption inducing additional impact ionization to the final heat up by electron–phonon coupling. Swift thermalization through electron–electron scattering, Auger recombination and formation of free excitons, their self-trapping and subsequent non-radiative decay are included. The energy exchange between the electrons and phonons are given by a separate equation for the lattice temperature where the rates of energy transfer from the electrons to the lattice per unit volume are defined quantum mechanically. As a result of our calculations the electron energy distribution function, average kinetic energy of the electron system and electron density are obtained as a function of laser intensity, laser photon energy (wavelength) and laser pulse duration. Examples of application in fs-laser irradiated-silica are discussed
Reciprocal Symmetric Boltzmann Function and Unified Boson-Fermion Statistics
Ahmad, Mushfiq; Talukder, Muhammad O. G.
2007-01-01
The differential equation for Boltzmann's function is replaced by the corresponding discrete finite difference equation. The difference equation is, then, symmetrized so that the equation remains invariant when step d is replaced by -d. The solutions of this equation come in Boson-Fermion pairs. Reciprocal symmetric Boltzmann's function, thus, unifies both Bosonic and Fermionic distributions.
Sohier, Thibault; Calandra, Matteo; Park, Cheol-Hwan; Bonini, Nicola; Marzari, Nicola; Mauri, Francesco
2014-09-01
We use first-principles calculations, at the density-functional-theory (DFT) and GW levels, to study both the electron-phonon interaction for acoustic phonons and the "synthetic" vector potential induced by a strain deformation (responsible for an effective magnetic field in case of a nonuniform strain). In particular, the interactions between electrons and acoustic phonon modes, the so-called gauge-field and deformation potential, are calculated at the DFT level in the framework of linear response. The zero-momentum limit of acoustic phonons is interpreted as a strain of the crystal unit cell, allowing the calculation of the acoustic gauge-field parameter (synthetic vector potential) within the GW approximation as well. We find that using an accurate model for the polarizations of the acoustic phonon modes is crucial to obtain correct numerical results. Similarly, in the presence of a strain deformation, the relaxation of atomic internal coordinates cannot be neglected. The role of electronic screening on the electron-phonon matrix elements is carefully investigated. We then solve the Boltzmann equation semianalytically in graphene, including both acoustic and optical phonon scattering. We show that, in the Bloch-Grüneisen and equipartition regimes, the electronic transport is mainly ruled by the unscreened acoustic gauge field, while the contribution due to the deformation potential is negligible and strongly screened. We show that the contribution of acoustic phonons to resistivity is doping and substrate independent, in agreement with experimental observations. The first-principles calculations, even at the GW level, underestimate this contribution to resistivity by ≈30%. At high temperature (T >270 K), the calculated resistivity underestimates the experimental one more severely, the underestimation being larger at lower doping. We show that, besides remote phonon scattering, a possible explanation for this disagreement is the electron-electron interaction
Mishonov, Todor M.; Maneva, Yana G.
2006-01-01
The differential conductivity for the out-of-plane transport in layered cuprates is calculated for Lawrence-Doniach model in the framework of time-dependent Ginzburg-Landau (TDGL) theory. The TDGL equation for the superconducting order parameter is solved in the presence of Langevin external noise, describing the birth of fluctuation Cooper pairs. The TDGL correlator of the superconducting order parameter is calculated in momentum representation and it is shown that the so defined number of p...
Institute of Scientific and Technical Information of China (English)
Deng Yun-Kun; Xiao Deng-Ming
2013-01-01
The electron swarm parameters including the density-normalized effective ionization coefficients (α-η)/N and the electron drift velocities Ve are calculated for a gas mixture of CF3I with N2 and CO2 by solving the Boltzmann equation in the condition of a steady-state Townsend (SST) experiment.The overall density-reduced electric field strength is from 100 Td to 1000 Td (1 Td =10-17 V·cm2),while the CF3I content k in the gas mixture can be varied over the range from 0％ to 100％.From the variation of (α-η)/N with the CF3I mixture ratio k,the limiting field strength (E/N)lim for each CF3I concentration is derived.It is found that for the mixtures with 70％ CF3I,the values of (E/N)lim are essentially the same as that for pure SF6.Additionally,the global warming potential (GWP) and the liquefaction temperature of the gas mixtures are also taken into account to evaluate the possibility of application in the gas insulation of power equipment.
Deng, Yun-Kun; Xiao, Deng-Ming
2013-03-01
The electron swarm parameters including the density-normalized effective ionization coefficients (α-η)/N and the electron drift velocities Ve are calculated for a gas mixture of CF3I with N2 and CO2 by solving the Boltzmann equation in the condition of a steady-state Townsend (SST) experiment. The overall density-reduced electric field strength is from 100 Td to 1000 Td (1 Td = 10-17 V·cm2), while the CF3I content k in the gas mixture can be varied over the range from 0% to 100%. From the variation of (α-η)/N with the CF3I mixture ratio k, the limiting field strength (E/N)lim for each CF3I concentration is derived. It is found that for the mixtures with 70% CF3I, the values of (E/N)lim are essentially the same as that for pure SF6. Additionally, the global warming potential (GWP) and the liquefaction temperature of the gas mixtures are also taken into account to evaluate the possibility of application in the gas insulation of power equipment.
Deng, Y. K.; Xiao, D. M.
2012-02-01
The present paper concerns itself with the insulation characteristics of c-C4F8/N2 gas mixtures and studies the possibility of applying in the gas insulation of power equipments. We aim to use the theoretical framework of the Boltzmann equation to calculate the density-normalized effective ionization coefficients (α-ƞ)/N and transport parameters of c-C4F8/N2 gas mixtures for E/N values from 180 to 550 Td (1 Td = 10-17 V cm2) in the condition of steady-state Townsend (SST) experiment. From the variation curve of (α-ƞ)/N with the c-C4F8 mixture ratio k, the limiting field strength (E/N)lim of the gas mixtures at different gas content is determined. In order to confirm the validity of the results obtained, comparisons with Monte Carlo simulation and experimental data have been performed. It is found that the insulation properties of c-C4F8 and N2 gas mixtures are much better than those of SF6 and N2 mixtures for applying in the high voltage apparatus as an insulation medium, especially if we take the global warming potential into account.
Deng, Yunkun; Xiao, Dengming
2014-09-01
The present study is devoted to the calculation of electron swarm parameters, including the reduced effective ionization coefficient, electron mean energy, and electron drift velocity, for the gas mixtures of CF3I with Ar, Xe, He, N2, and CO2. These data are computed by employing the Boltzmann equation method with two-term approximation in the condition of steady-state Townsend (SST) discharge. For the purpose of evaluating the insulation strength of CF3I gas mixtures, values of the limiting field strength (E/N)lim for which the ionization exactly balances the electron attachment are determined from the variation curves of (α - η)/N. The results indicate that mixtures of CF3I-N2 present the greatest insulation strength among all the combinations for CF3I content varied from 20 to 90%. Furthermore, the gas mixture with 70% CF3I can achieve a very similar dielectric strength to that of SF6. The concerned liquefaction issues are also taken into account to fully assess the possibility of applying CF3I gas mixtures in power equipment as an insulation medium.
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.
International Nuclear Information System (INIS)
This paper presents a new multigrid method applied to the most common Sn discretizations (Petrov-Galerkin, diamond-differenced, corner-balanced, and discontinuous Galerkin) of the mono-energetic Boltzmann transport equation in the optically thick and thin regimes, and with strong anisotropic scattering. Unlike methods that use scalar DSA diffusion preconditioners for the source iteration, this multigrid method is applied directly to an integral equation for the scalar flux. Thus, unlike the former methods that apply a multigrid strategy to the scalar DSA diffusion operator, this method applies a multigrid strategy to the integral source iteration operator, which is an operator for 5 independent variables in spatial 3-d (3 in space and 2 in angle) and 4 independent variables in spatial 2-d (2 in space and 2 in angle). The core smoother of this multigrid method involves applications of the integral operator. Since the kernel of this integral operator involves the transport sweeps, applying this integral operator requires a transport sweep (an inversion of an upper triangular matrix) for each of the angles used. As the equation is in 5-space or 4-space, the multigrid approach in this paper coarsens in both angle and space, effecting efficient applications of the coarse integral operators. Although each V-cycle of this method is more expensive than a V-cycle for the DSA preconditioner, since the DSA equation does not have angular dependence, the overall computational efficiency is about the same for problems where DSA preconditioning is effective. This new method also appears to be more robust over all parameter regimes than DSA approaches. Moreover, this new method is applicable to a variety of Sn spatial discretizations, to problems involving a combination of optically thick and thin regimes, and more importantly, to problems with anisotropic scattering cross-sections, all of which DSA approaches perform poorly or not applicable at all. This multigrid approach is
Energy Technology Data Exchange (ETDEWEB)
Prinja, A.K.
1995-08-01
We have developed and successfully implemented a two-dimensional bilinear discontinuous in space and time, used in conjunction with the S{sub N} angular approximation, to numerically solve the time dependent, one-dimensional, one-speed, slab geometry, (ion) transport equation. Numerical results and comparison with analytical solutions have shown that the bilinear-discontinuous (BLD) scheme is third-order accurate in the space ad time dimensions independently. Comparison of the BLD results with diamond-difference methods indicate that the BLD method is both quantitavely and qualitatively superior to the DD scheme. We note that the form of the transport operator is such that these conclusions carry over to energy dependent problems that include the constant-slowing-down-approximation term, and to multiple space dimensions or combinations thereof. An optimized marching or inversion scheme or a parallel algorithm should be investigated to determine if the increased accuracy can compensate for the extra overhead required for a BLD solution, and then could be compared to other discretization methods such as nodal or characteristic schemes.
International Nuclear Information System (INIS)
We have developed and successfully implemented a two-dimensional bilinear discontinuous in space and time, used in conjunction with the SN angular approximation, to numerically solve the time dependent, one-dimensional, one-speed, slab geometry, (ion) transport equation. Numerical results and comparison with analytical solutions have shown that the bilinear-discontinuous (BLD) scheme is third-order accurate in the space ad time dimensions independently. Comparison of the BLD results with diamond-difference methods indicate that the BLD method is both quantitavely and qualitatively superior to the DD scheme. We note that the form of the transport operator is such that these conclusions carry over to energy dependent problems that include the constant-slowing-down-approximation term, and to multiple space dimensions or combinations thereof. An optimized marching or inversion scheme or a parallel algorithm should be investigated to determine if the increased accuracy can compensate for the extra overhead required for a BLD solution, and then could be compared to other discretization methods such as nodal or characteristic schemes
International Nuclear Information System (INIS)
We present a scheme for numerical simulations of collisionless self-gravitating systems which directly integrates the Vlasov-Poisson equations in six-dimensional phase space. Using the results from a suite of large-scale numerical simulations, we demonstrate that the present scheme can simulate collisionless self-gravitating systems properly. The integration scheme is based on the positive flux conservation method recently developed in plasma physics. We test the accuracy of our code by performing several test calculations, including the stability of King spheres, the gravitational instability, and the Landau damping. We show that the mass and the energy are accurately conserved for all the test cases we study. The results are in good agreement with linear theory predictions and/or analytic solutions. The distribution function keeps the property of positivity and remains non-oscillatory. The largest simulations are run on 646 grids. The computation speed scales well with the number of processors, and thus our code performs efficiently on massively parallel supercomputers.
Yoshikawa, Kohji; Umemura, Masayuki
2012-01-01
We present a scheme for numerical simulations of collisionless self-gravitating systems which directly integrates the Vlasov--Poisson equations in six-dimensional phase space. By the results from a suite of large-scale numerical simulations, we demonstrate that the present scheme can simulate collisionless self-gravitating systems properly. The integration scheme is based on the positive flux conservation method recently developed in plasma physics. We test the accuracy of our code by performing several test calculations including the stability of King spheres, the gravitational instability and the Landau damping. We show that the mass and the energy are accurately conserved for all the test cases we study. The results are in good agreement with linear theory predictions and/or analytic solutions. The distribution function keeps the property of positivity and remains non-oscillatory. The largest simulations are run on 64^6 grids. The computation speed scales well with the number of processors, and thus our co...
Dyatko, Nikolay; Donkó, Zoltán
2015-08-01
At low reduced electric fields the electron energy distribution function in heavy noble gases can take two distinct shapes. This ‘bistability effect’—in which electron-electron (Coulomb) collisions play an essential role—is analyzed here for Xe with a Boltzmann equation approach and with a first principles particle simulation method. The solution of the Boltzmann equation adopts the usual approximations of (i) searching for the distribution function in the form of two terms (‘two-term approximation’), (ii) neglecting the Coulomb part of the collision integral for the anisotropic part of the distribution function, (iii) treating Coulomb collisions as binary events, and (iv) truncating the range of the electron-electron interaction beyond a characteristic distance. The particle-based simulation method avoids these approximations: the many-body interactions within the electron gas with a true (un-truncated) Coulomb potential are described by a molecular dynamics algorithm, while the collisions between electrons and the background gas atoms are treated with Monte Carlo simulation. We find a good general agreement between the results of the two techniques, which confirms, to a certain extent, the approximations used in the solution of the Boltzmann equation. The differences observed between the results are believed to originate from these approximations and from the presence of statistical noise in the particle simulations.
Li, Wu
2015-08-01
We demonstrate the ab initio electrical transport calculation limited by electron-phonon coupling by using the full solution of the Boltzmann transport equation (BTE), which applies equally to metals and semiconductors. Numerical issues are emphasized in this work. We show that the simple linear interpolation of the electron-phonon coupling matrix elements from a relatively coarse grid to an extremely fine grid can ease the calculational burden, which makes the calculation feasible in practice. For the Brillouin zone (BZ) integration of the transition probabilities involving one δ function, the Gaussian smearing method with a physical choice of locally adaptive broadening parameters is employed. We validate the calculation in the cases of n -type Si and Al. The calculated conductivity and mobility are in good agreement with experiments. In the metal case we also demonstrate that the Gaussian smearing method with locally adaptive broadening parameters works excellently for the BZ integration with double δ functions involved in the Eliashberg spectral function and its transport variant. The simpler implementation is the advantage of the Gaussian smearing method over the tetrahedron method. The accuracy of the relaxation time approximation and the approximation made by Allen [Phys. Rev. B 17, 3725 (1978), 10.1103/PhysRevB.17.3725] has been examined by comparing with the exact solution of BTE. We also apply our method to n -type monolayer MoS2, for which a mobility of 150 cm2 v-1 s-1 is obtained at room temperature. Moreover, the mean free paths are less than 9 nm, indicating that in the presence of grain boundaries the mobilities should not be effectively affected if the grain boundary size is tens of nanometers or larger. The ab initio approach demonstrated in this paper can be directly applied to other materials without the need for any a priori knowledge about the electron-phonon scattering processes, and can be straightforwardly extended to study cases with
Relativistic Entropy and Related Boltzmann Kinetics
Kaniadakis, G
2009-01-01
It is well known that the particular form of the two-particle correlation function, in the collisional integral of the classical Boltzmman equation, fix univocally the entropy of the system, which turn out to be the Boltzmann-Gibbs-Shannon entropy. In the ordinary relativistic Boltzmann equation, some standard generalizations, with respect its classical version, imposed by the special relativity, are customarily performed. The only ingredient of the equation, which tacitely remains in its original classical form, is the two-particle correlation function, and this fact imposes that also the relativistic kinetics is governed by the Boltzmann-Gibbs-Shannon entropy. Indeed the ordinary relativistic Boltzmann equation admits as stationary stable distribution, the exponential Juttner distribution. Here, we show that the special relativity laws and the maximum entropy principle, suggest a relativistic generalization also of the two-particle correlation function and then of the entropy. The so obtained, fully relativ...
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.
Boltzmann's Concept of Reality
Ribeiro, Marcelo B.; Videira, Antonio A. P.
2007-01-01
In this article we describe and analyze the concept of reality developed by the Austrian theoretical physicist Ludwig Boltzmann. It is our thesis that Boltzmann was fully aware that reality could, and actually was, described by different points of view. In spite of this, Boltzmann did not renounce the idea that reality is real. We also discuss his main motivations to be strongly involved with philosophy of science, as well as further developments made by Boltzmann himself of his main philosop...
Relativistic Boltzmann theory for a plasma
International Nuclear Information System (INIS)
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.)
Thermal Lattice Boltzmann Model for Compressible Fluid
Institute of Scientific and Technical Information of China (English)
SUN Cheng-Hai
2000-01-01
We formulate a new thermal lattice Boltzmann model to simulate compressible flows with a high Mach number.The main difference from the standard lattice Boltzmann models is that the particle velocities are no longer a constant, varying with the mean velocity and internal energy. The proper heat conduction term in the energy equation is recovered by modification of the fluctuating kinetic energy transported by particles. The simulation of Couette flow is in good agreement with the analytical solutions.
Lattice Boltzmann approach for complex nonequilibrium flows.
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. PMID:26565365
International Nuclear Information System (INIS)
The objective of this paper is the exposition of a recently-developed, novel Green's function Monte Carlo (GFMC) algorithm for the solution of nonlinear partial differential equations and its application to the modeling of the plasma sheath region around a cylindrical conducting object, carrying a potential and moving at low speeds through an otherwise neutral medium. The plasma sheath is modeled in equilibrium through the GFMC solution of the nonlinear Poisson–Boltzmann (NPB) equation. The traditional Monte Carlo based approaches for the solution of nonlinear equations are iterative in nature, involving branching stochastic processes which are used to calculate linear functionals of the solution of nonlinear integral equations. Over the last several years, one of the authors of this paper, K. Chatterjee has been developing a philosophically-different approach, where the linearization of the equation of interest is not required and hence there is no need for iteration and the simulation of branching processes. Instead, an approximate expression for the Green's function is obtained using perturbation theory, which is used to formulate the random walk equations within the problem sub-domains where the random walker makes its walks. However, as a trade-off, the dimensions of these sub-domains have to be restricted by the limitations imposed by perturbation theory. The greatest advantage of this approach is the ease and simplicity of parallelization stemming from the lack of the need for iteration, as a result of which the parallelization procedure is identical to the parallelization procedure for the GFMC solution of a linear problem. The application area of interest is in the modeling of the communication breakdown problem during a space vehicle's re-entry into the atmosphere. However, additional application areas are being explored in the modeling of electromagnetic propagation through the atmosphere/ionosphere in UHF/GPS applications
Chatterjee, Kausik; Roadcap, John R.; Singh, Surendra
2014-11-01
The objective of this paper is the exposition of a recently-developed, novel Green's function Monte Carlo (GFMC) algorithm for the solution of nonlinear partial differential equations and its application to the modeling of the plasma sheath region around a cylindrical conducting object, carrying a potential and moving at low speeds through an otherwise neutral medium. The plasma sheath is modeled in equilibrium through the GFMC solution of the nonlinear Poisson-Boltzmann (NPB) equation. The traditional Monte Carlo based approaches for the solution of nonlinear equations are iterative in nature, involving branching stochastic processes which are used to calculate linear functionals of the solution of nonlinear integral equations. Over the last several years, one of the authors of this paper, K. Chatterjee has been developing a philosophically-different approach, where the linearization of the equation of interest is not required and hence there is no need for iteration and the simulation of branching processes. Instead, an approximate expression for the Green's function is obtained using perturbation theory, which is used to formulate the random walk equations within the problem sub-domains where the random walker makes its walks. However, as a trade-off, the dimensions of these sub-domains have to be restricted by the limitations imposed by perturbation theory. The greatest advantage of this approach is the ease and simplicity of parallelization stemming from the lack of the need for iteration, as a result of which the parallelization procedure is identical to the parallelization procedure for the GFMC solution of a linear problem. The application area of interest is in the modeling of the communication breakdown problem during a space vehicle's re-entry into the atmosphere. However, additional application areas are being explored in the modeling of electromagnetic propagation through the atmosphere/ionosphere in UHF/GPS applications.
Energy Technology Data Exchange (ETDEWEB)
Chatterjee, Kausik, E-mail: kausik.chatterjee@aggiemail.usu.edu [Strategic and Military Space Division, Space Dynamics Laboratory, North Logan, UT 84341 (United States); Center for Atmospheric and Space Sciences, Utah State University, Logan, UT 84322 (United States); Roadcap, John R., E-mail: john.roadcap@us.af.mil [Air Force Research Laboratory, Kirtland AFB, NM 87117 (United States); Singh, Surendra, E-mail: surendra-singh@utulsa.edu [Department of Electrical Engineering, The University of Tulsa, Tulsa, OK 74104 (United States)
2014-11-01
The objective of this paper is the exposition of a recently-developed, novel Green's function Monte Carlo (GFMC) algorithm for the solution of nonlinear partial differential equations and its application to the modeling of the plasma sheath region around a cylindrical conducting object, carrying a potential and moving at low speeds through an otherwise neutral medium. The plasma sheath is modeled in equilibrium through the GFMC solution of the nonlinear Poisson–Boltzmann (NPB) equation. The traditional Monte Carlo based approaches for the solution of nonlinear equations are iterative in nature, involving branching stochastic processes which are used to calculate linear functionals of the solution of nonlinear integral equations. Over the last several years, one of the authors of this paper, K. Chatterjee has been developing a philosophically-different approach, where the linearization of the equation of interest is not required and hence there is no need for iteration and the simulation of branching processes. Instead, an approximate expression for the Green's function is obtained using perturbation theory, which is used to formulate the random walk equations within the problem sub-domains where the random walker makes its walks. However, as a trade-off, the dimensions of these sub-domains have to be restricted by the limitations imposed by perturbation theory. The greatest advantage of this approach is the ease and simplicity of parallelization stemming from the lack of the need for iteration, as a result of which the parallelization procedure is identical to the parallelization procedure for the GFMC solution of a linear problem. The application area of interest is in the modeling of the communication breakdown problem during a space vehicle's re-entry into the atmosphere. However, additional application areas are being explored in the modeling of electromagnetic propagation through the atmosphere/ionosphere in UHF/GPS applications.
Crystallographic Lattice Boltzmann Method
Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh
2016-01-01
Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows. PMID:27251098
Crystallographic Lattice Boltzmann Method
Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh
2016-06-01
Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows.
Lattice Boltzmann approaches to magnetohydrodynamics and electromagnetism
Dellar, Paul
2010-03-01
J u B E g We present a lattice Boltzmann approach for magnetohydrodynamics and electromagnetism that expresses the magnetic field using a discrete set of vector distribution functions i. The i were first postulated to evolve according to a vector Boltzmann equation of the form ti+ ξi.∇i= - 1τ ( i- i^(0) ), where the ξi are a discrete set of velocities. The right hand side relaxes the i towards some specified functions i^(0) of the fluid velocity , and of the macroscopic magnetic field given by = ∑ii. Slowly varying solutions obey the equations of resistive magnetohydrodynamics. This lattice Boltzmann formulation has been used in large-scale (up to 1800^3 resolution) simulations of magnetohydrodynamic turbulence. However, this is only the simplest form of Ohm's law. We may simulate more realistic extended forms of Ohm's law using more complex collision operators. A current-dependent relaxation time yields a current-dependent resistivity η(|∇x|), as used to model ``anomalous'' resistivity created by small-scale plasma processes. Using a hydrodynamic matrix collision operator that depends upon the magnetic field , we may simulate Braginskii's magnetohydrodynamics, in which the viscosity for strains parallel to the magnetic field lines is much larger than the viscosity for strains in perpendicular directions. Changing the collision operator again, from the above vector Boltzmann equation we may derive the full set of Maxwell's equations, including the displacement current, and Ohm's law, - 1c^2 tE+ ∇x= μo,= σ( E + x). The original lattice Boltzmann scheme was designed to reproduce resistive magnetohydrodynamics in the non-relativistic limit. However, the kinetic formulation requires a system of first order partial differential equations with collision terms. This system coincides with the full set of Maxwell's equations and Ohm's law, so we capture a much wider range of electromagnetic phenomena, including electromagnetic waves.
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 %22grid instability%22 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
Lattice Boltzmann model for wave propagation.
Zhang, Jianying; Yan, Guangwu; Shi, Xiubo
2009-08-01
A lattice Boltzmann model for two-dimensional wave equation is proposed by using the higher-order moment method. The higher-order moment method is based on the solution of a series of partial differential equations obtained by using multiscale technique and Chapman-Enskog expansion. In order to obtain the lattice Boltzmann model for the wave equation with higher-order accuracy of truncation errors, we removed the second-order dissipation term and the third-order dispersion term by employing the moments up to fourth order. The reversibility in time appears owing to the absence of the second-order dissipation term and the third-order dispersion term. As numerical examples, some classical examples, such as interference, diffraction, and wave passing through a convex lens, are simulated. The numerical results show that this model can be used to simulate wave propagation. PMID:19792280
Sugimoto, Yu; Kitazumi, Yuki; Shirai, Osamu; Yamamoto, Masahiro; Kano, Kenji
2016-03-31
To understand electrostatic interactions in biomolecules, the bimolecular rate constants (k) between redox enzymes and charged substrates (in this study, redox mediators in the electrode reaction) were evaluated at various ionic strengths (I) for the mediated bioelectrocatalytic reaction. The k value between bilirubin oxidase (BOD) and positively charged mediators increased with I, while that between BOD and negatively charged mediators decreased with I. The opposite trend was observed for the reaction of glucose oxidase (GOD). In the case of noncharged mediators, the k value was independent of I for both BOD and GOD. These results reflect the electrostatic interactions between the enzymes and the mediators. Furthermore, we estimated k/k° (k° being the thermodynamic rate constant) by numerical simulation (finite element method) based on the Poisson-Boltzmann (PB) equation. By considering the charges of individual atoms involved in the amino acids around the substrate binding sites in the enzymes, the simulated k/k° values well reproduced the experimental data. In conclusion, k/k° can be predicted by PB-based simulation as long as the crystal structure of the enzyme and the substrate binding site are known. PMID:26956542
Monte Carlo variance reduction approaches for non-Boltzmann tallies
International Nuclear Information System (INIS)
Quantities that depend on the collective effects of groups of particles cannot be obtained from the standard Boltzmann transport equation. Monte Carlo estimates of these quantities are called non-Boltzmann tallies and have become increasingly important recently. Standard Monte Carlo variance reduction techniques were designed for tallies based on individual particles rather than groups of particles. Experience with non-Boltzmann tallies and analog Monte Carlo has demonstrated the severe limitations of analog Monte Carlo for many non-Boltzmann tallies. In fact, many calculations absolutely require variance reduction methods to achieve practical computation times. Three different approaches to variance reduction for non-Boltzmann tallies are described and shown to be unbiased. The advantages and disadvantages of each of the approaches are discussed
Fermion particle production in semiclassical Boltzmann-Vlasov transport theory
International Nuclear Information System (INIS)
We present numerical solutions of the semiclassical Boltzmann-Vlasov equation for fermion particle-antiparticle production by strong electric fields in boost-invariant coordinates in (1+1) and (3+1) dimensional QED. We compare the Boltzmann-Vlasov results with those of recent quantum field theory calculations and find good agreement. We conclude that extending the Boltzmann-Vlasov approach to the case of QCD should allow us to do a thorough investigation of how backreaction affects recent results on the dependence of the transverse momentum distribution of quarks and antiquarks on a second Casimir invariant of color SU(3).
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...
Nonlocal Boltzmann theory of plasma channels
Energy Technology Data Exchange (ETDEWEB)
Yu, S.S.; Melendez, R.E.
1983-01-03
The mathematical framework for the LLNL code NUTS is developed. This code is designed to study the evolution of an electron-beam-generated plasma channel at all pressures. The Boltzmann treatment of the secondary electrons presented include all inertial, nonlocal, electric and magnetic effects, as well as effects of atomic collisions. Field equations are advanced simultaneously and self-consistently with the evolving plasma currents.
Nonlocal Boltzmann theory of plasma channels
International Nuclear Information System (INIS)
The mathematical framework for the LLNL code NUTS is developed. This code is designed to study the evolution of an electron-beam-generated plasma channel at all pressures. The Boltzmann treatment of the secondary electrons presented include all inertial, nonlocal, electric and magnetic effects, as well as effects of atomic collisions. Field equations are advanced simultaneously and self-consistently with the evolving plasma currents
International Nuclear Information System (INIS)
Purpose: The Linear Boltzmann Transport Equation (LBTE) solved through statistical Monte Carlo (MC) method provides the accurate dose calculation in radiotherapy. This work is to investigate the alternative way for accurately solving LBTE using deterministic numerical method due to its possible advantage in computational speed from MC. Methods: Instead of using traditional spherical harmonics to approximate angular scattering kernel, our deterministic numerical method directly computes angular scattering weights, based on a new angular discretization method that utilizes linear finite element method on the local triangulation of unit angular sphere. As a Result, our angular discretization method has the unique advantage in positivity, i.e., to maintain all scattering weights nonnegative all the time, which is physically correct. Moreover, our method is local in angular space, and therefore handles the anisotropic scattering well, such as the forward-peaking scattering. To be compatible with image-guided radiotherapy, the spatial variables are discretized on the structured grid with the standard diamond scheme. After discretization, the improved sourceiteration method is utilized for solving the linear system without saving the linear system to memory. The accuracy of our 3D solver is validated using analytic solutions and benchmarked with Geant4, a popular MC solver. Results: The differences between Geant4 solutions and our solutions were less than 1.5% for various testing cases that mimic the practical cases. More details are available in the supporting document. Conclusion: We have developed a 3D LBTE solver based on a new angular discretization method that guarantees the positivity of scattering weights for physical correctness, and it has been benchmarked with Geant4 for photon dose calculation
Lattice Boltzmann Large Eddy Simulation Model of MHD
Flint, Christopher
2016-01-01
The work of Ansumali \\textit{et al.}\\cite{Ansumali} is extended to Two Dimensional Magnetohydrodynamic (MHD) turbulence in which energy is cascaded to small spatial scales and thus requires subgrid modeling. Applying large eddy simulation (LES) modeling of the macroscopic fluid equations results in the need to apply ad-hoc closure schemes. LES is applied to a suitable mesoscopic lattice Boltzmann representation from which one can recover the MHD equations in the long wavelength, long time scale Chapman-Enskog limit (i.e., the Knudsen limit). Thus on first performing filter width expansions on the lattice Boltzmann equations followed by the standard small Knudsen expansion on the filtered lattice Boltzmann system results in a closed set of MHD turbulence equations provided we enforce the physical constraint that the subgrid effects first enter the dynamics at the transport time scales. In particular, a multi-time relaxation collision operator is considered for the density distribution function and a single rel...
Variably saturated flow described with the anisotropic Lattice Boltzmann methods
Ginzburg, I.
2006-01-01
This paper addresses the numerical solution of highly nonlinear parabolic equations with Lattice Boltzmann techniques. They are first developed for generic advection and anisotropic dispersion equations (AADE). Collision configurations handle the anisotropic diffusion forms by using either anisotropic eigenvalue sets or anisotropic equilibrium functions. The coordinate transformation from the orthorhombic (rectangular) discretization grid to the cuboid computational grid is equivalen...
L2-stability of the Vlasov-Maxwell-Boltzmann system near global Maxwellians
International Nuclear Information System (INIS)
We present a L2-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 L2-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 L2-stability theory of the Boltzmann equation near global Maxwellians,” (submitted) and Ha, S.-Y., Yang, X.-F., and Yun, S.-B., “L2 stability theory of the Boltzmann equation near a global Maxwellian,” Arch. Ration. Mech. Anal. 197, 657–688 (2010)] on the L2-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 L2-stability estimate. This is the first result on the L2-stability of the Boltzmann equation coupled with self-consistent field equations in three dimensions
Pade approximants for linear Boltzmann equation
International Nuclear Information System (INIS)
The iteration technique is used to find the relation between the linear functional and Pade approximants. Two examples are solved as applications: (1) the neutron escape probability and (ii) the reflection and transmission function in radiative transfer and in turn the emergent and transmitted intensities for a finite slab and the emergent intensity for a semi-infinite medium. Numerical calculations are carried our and compared with the exact results and results obtained from other techniques. It is found that the Pade approximants converge to the exact results. (author)
Scattering theory of the linear Boltzmann operator
International Nuclear Information System (INIS)
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.)
Boltzmann map for quantum oscillators
International Nuclear Information System (INIS)
The authors define a map tau on the space of quasifree states of the CCR or CAR of more than one harmonic oscillator which increases entropy except at fixed points of tau. The map tau is the composition of a double stochastic map T*, and the quasifree reduction Q. Under mixing conditions on T, iterates of tau take any initial state to the Gibbs states, provided that the oscillator frequencies are mutually rational. They give an example of a system with three degrees of freedom with energies omega1, omega2, and omega3 mutually irrational, but obeying a relation n1omega1 + n2omega2 = n3omega3, n/sub i/epsilon Z. The iterated Boltzmann map converges from an initial state rho to independent Gibbs states of the three oscillators at betas (inverse temperatures) β1, β2, β3 obeying the equation n1omega1β1 + n2omega3β1number. The equilibrium state can be rewritten as a grand canonical state. They show that for two, three, or four fermions we can get the usual rate equations as a special case
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.)
Lattice Boltzmann method and its applications in engineering thermophysics
Institute of Scientific and Technical Information of China (English)
HE YaLing; LI Qing; WANG Yong; TANG GuiHua
2009-01-01
The lattice Boltzmann method (LBM),a mesoscopic method between the molecular dynamics method and the conventional numerical methods,has been developed into a very efficient numerical alternative in the past two decades.Unlike conventional numerical methods,the kinetic theory based LBM simulates fluid flows by tracking the evolution of the particle distribution function,and then accumulates the distribution to obtain macroscopic averaged properties.In this article we review some work on LBM applications in engineering thermophysics:(1) brief introduction to the development of the LBM; (2)fundamental theory of LBM including the Boltzmann equation,Maxwell distribution function,Boltzmann-BGK equation,and the lattice Boltzmann-BGK equation; (3) lattice Boltzmann models for compressible flows and non-equilibrium gas flows,bounce back-specular-reflection boundary scheme for microscale gaseous flows,the mass modified outlet boundary scheme for fully developed flows,and an implicit-explicit finite-difference-based LBM; and (4) applications of the LBM to oscillating flow,compressible flow,porous media flow,non-equilibrium flow,and gas resonant oscillating flow.
Numerical approximation of the Euler-Poisson-Boltzmann model in the quasineutral limit
Degond, Pierre; Liu, Hailiang; Savelief, Dominique; Vignal, Marie-Hélène
2012-01-01
International audience This paper analyzes various schemes for the Euler-Poisson-Boltzmann (EPB) model of plasma physics. This model consists of the pressureless gas dynamics equations coupled with the Poisson equation and where the Boltzmann relation relates the potential to the electron density. If the quasi-neutral assumption is made, the Poisson equation is replaced by the constraint of zero local charge and the model reduces to the Isothermal Compressible Euler (ICE) model. We compare...
Hu, Kainan; Zhang, Hongwu; Geng, Shaojuan
2016-01-01
A new lattice Boltzmann scheme associated with flexible specific heat ratio is proposed. The new free degree is introduced via the internal energy associated with the internal structure. The evolution equation of the distribution function is reduced to two evolution equations. One is connected to the density and velocity, the other is of the energy. A two-dimensional lattice Boltzmann model and a three-dimensional lattice Boltzmann model are derived via the Hermite expansion. The two lattice ...
Lattice Boltzmann Model for Compressible Fluid on a Square Lattice
Institute of Scientific and Technical Information of China (English)
SUN Cheng-Hai
2000-01-01
A two-level four-direction lattice Boltzmann model is formulated on a square lattice to simulate compressible flows with a high Mach number. The particle velocities are adaptive to the mean velocity and internal energy. Therefore, the mean flow can have a high Mach number. Due to the simple form of the equilibrium distribution, the 4th order velocity tensors are not involved in the calculations. Unlike the standard lattice Boltzmann model, o special treatment is need for the homogeneity of 4th order velocity tensors on square lattices. The Navier-Stokes equations were derived by the Chapman-Enskog method from the BGK Boltzmann equation. The model can be easily extended to three-dimensional cubic lattices. Two-dimensional shock-wave propagation was simulated
Lattice Boltzmann model for numerical relativity
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.
Lattice Boltzmann model for numerical relativity.
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. PMID:26986435
Lattice Boltzmann Model for Numerical Relativity
Ilseven, E
2015-01-01
In the Bona-Masso 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. Our model is validated with well-established tests, showing good agreement with analytical solutions. Furthermore, we show 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 improves. Finally, in order to show the potential of our approach a linear scaling law for parallelisation with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems.
Hu, Kainan; Geng, Shaojuan
2016-01-01
A new lattice Boltzmann scheme associated with flexible specific heat ratio is proposed. The new free degree is introduced via the internal energy associated with the internal structure. The evolution equation of the distribution function is reduced to two evolution equations. One is connected to the density and velocity, the other is of the energy. A two-dimensional lattice Boltzmann model and a three-dimensional lattice Boltzmann model are derived via the Hermite expansion. The two lattice Boltzmann models are applied to simulating the shock tube of one dimension. Good agreement between the numerical results and the analytical solutions are obtained.
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.
Jet propagation within a Linearized Boltzmann Transport Model
Luo, Tan; Wang, Xin-Nian; Zhu, Yan
2015-01-01
A Linear Boltzmann Transport (LBT) model has been developed for the study of jet propagation inside a quark-gluon plasma. Both leading and thermal recoiled partons are transported according to the Boltzmann equations to account for jet-induced medium excitations. In this talk, we present our 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 elastic energy loss and transverse shape of reconstructed jets. Contributions from the recoiled thermal partons are found to have significant influences on the jet energy loss and transverse profile.
Lattice gas cellular automata and lattice Boltzmann models an introduction
Wolf-Gladrow, Dieter A
2000-01-01
Lattice-gas cellular automata (LGCA) and lattice Boltzmann models (LBM) are relatively new and promising methods for the numerical solution of nonlinear partial differential equations. The book provides an introduction for graduate students and researchers. Working knowledge of calculus is required and experience in PDEs and fluid dynamics is recommended. Some peculiarities of cellular automata are outlined in Chapter 2. The properties of various LGCA and special coding techniques are discussed in Chapter 3. Concepts from statistical mechanics (Chapter 4) provide the necessary theoretical background for LGCA and LBM. The properties of lattice Boltzmann models and a method for their construction are presented in Chapter 5.
Topological interactions in a Boltzmann-type framework
Blanchet, Adrien; Degond, Pierre
2015-01-01
We consider a finite number of particles characterised by their positions and velocities. At random times a randomly chosen particle, the follower, adopts the velocity of another particle, the leader. The follower chooses its leader according to the proximity rank of the latter with respect to the former. We study the limit of a system size going to infinity and, under the assumption of propagation of chaos, show that the limit equation is akin to the Boltzmann equation. However , it exhibits...
Poisson-Boltzmann-Nernst-Planck model
International Nuclear Information System (INIS)
The Poisson-Nernst-Planck (PNP) model is based on a mean-field approximation of ion interactions and continuum descriptions of concentration and electrostatic potential. It provides qualitative explanation and increasingly quantitative predictions of experimental measurements for the ion transport problems in many areas such as semiconductor devices, nanofluidic systems, and biological systems, despite many limitations. While the PNP model gives a good prediction of the ion transport phenomenon for chemical, physical, and biological systems, the number of equations to be solved and the number of diffusion coefficient profiles to be determined for the calculation directly depend on the number of ion species in the system, since each ion species corresponds to one Nernst-Planck equation and one position-dependent diffusion coefficient profile. In a complex system with multiple ion species, the PNP can be computationally expensive and parameter demanding, as experimental measurements of diffusion coefficient profiles are generally quite limited for most confined regions such as ion channels, nanostructures and nanopores. We propose an alternative model to reduce number of Nernst-Planck equations to be solved in complex chemical and biological systems with multiple ion species by substituting Nernst-Planck equations with Boltzmann distributions of ion concentrations. As such, we solve the coupled Poisson-Boltzmann and Nernst-Planck (PBNP) equations, instead of the PNP equations. The proposed PBNP equations are derived from a total energy functional by using the variational principle. We design a number of computational techniques, including the Dirichlet to Neumann mapping, the matched interface and boundary, and relaxation based iterative procedure, to ensure efficient solution of the proposed PBNP equations. Two protein molecules, cytochrome c551 and Gramicidin A, are employed to validate the proposed model under a wide range of bulk ion concentrations and external
Temperature based Restricted Boltzmann Machines
Li, Guoqi; Deng, Lei; Xu, Yi; Wen, Changyun; Wang, Wei; Pei, Jing; Shi, Luping
2016-01-01
Restricted Boltzmann machines (RBMs), which apply graphical models to learning probability distribution over a set of inputs, have attracted much attention recently since being proposed as building blocks of multi-layer learning systems called deep belief networks (DBNs). Note that temperature is a key factor of the Boltzmann distribution that RBMs originate from. However, none of existing schemes have considered the impact of temperature in the graphical model of DBNs. In this work, we propose temperature based restricted Boltzmann machines (TRBMs) which reveals that temperature is an essential parameter controlling the selectivity of the firing neurons in the hidden layers. We theoretically prove that the effect of temperature can be adjusted by setting the parameter of the sharpness of the logistic function in the proposed TRBMs. The performance of RBMs can be improved by adjusting the temperature parameter of TRBMs. This work provides a comprehensive insights into the deep belief networks and deep learning architectures from a physical point of view.
Nomura, Yasunori
2015-01-01
Understanding the observed arrow of time is equivalent, under general assumptions, to explaining why Boltzmann brains do not overwhelm ordinary observers. It is usually thought that this provides a condition on the decay rate of every cosmologically accessible de Sitter vacuum, and that this condition is determined by the production rate of Boltzmann brains calculated using semiclassical theory built on each such vacuum. We argue, based on a recently developed picture of microscopic quantum gravitational degrees of freedom, that this thinking needs to be modified. In particular, depending on the structure of the fundamental theory, the decay rate of a de Sitter vacuum may not have to satisfy any condition except possibly the one imposed by the Poincare recurrence. The framework discussed here also addresses the question of whether a Minkowski vacuum may produce Boltzmann brains.
Nomura, Yasunori
2015-10-01
Understanding the observed arrow of time is equivalent, under general assumptions, to explaining why Boltzmann brains do not overwhelm ordinary observers. It is usually thought that this provides a condition on the decay rate of every cosmologically accessible de Sitter vacuum, and that this condition is determined by the production rate of Boltzmann brains calculated using semiclassical theory built on each such vacuum. We argue, based on a recently developed picture of microscopic quantum gravitational degrees of freedom, that this thinking needs to be modified. In particular, depending on the structure of the fundamental theory, the decay rate of a de Sitter vacuum may not have to satisfy any condition except for the one imposed by the Poincaré recurrence. The framework discussed here also addresses the question of whether a Minkowski vacuum may produce Boltzmann brains.
Lattice Boltzmann model for Coulomb-driven flows in dielectric liquids
Luo, Kang; Wu, Jian; Yi, Hong-Liang; Tan, He-Ping
2016-02-01
In this paper, we developed a unified lattice Boltzmann model (LBM) to simulate electroconvection in a dielectric liquid induced by unipolar charge injection. Instead of solving the complex set of coupled Navier-Stokes equations, the charge conservation equation, and the Poisson equation of electric potential, three consistent lattice Boltzmann equations are formulated. Numerical results are presented for both strong and weak injection regimes, and different scenarios for the onset and evolution of instability, bifurcation, and chaos are tracked. All LBM results are found to be highly consistent with the analytical solutions and other numerical work.
Joint Training of Deep Boltzmann Machines
Goodfellow, Ian; Courville, Aaron; Bengio, Yoshua
2012-01-01
We introduce a new method for training deep Boltzmann machines jointly. Prior methods require an initial learning pass that trains the deep Boltzmann machine greedily, one layer at a time, or do not perform well on classifi- cation tasks.
Immiscible multicomponent lattice Boltzmann model for fluids with high relaxation time ratio
Indian Academy of Sciences (India)
Tao Jiang; Qiwei Gong; Ruofan Qiu; Anlin Wang
2014-10-01
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 equilibrium velocity. Compared to the SC model, external forces in our model are discretized directly into the discrete lattice Boltzmann equation, as proposed by Guo et al. We develop it into a new multicomponent lattice Boltzmann (LB) model which has the ability to simulate immiscible multicomponent fluids with relaxation time ratio as large as 29.0 and to reduce `spurious velocity’. In this work, the improved model is validated and studied using the central bubble case and the rising bubble case. It finds good applications in both static and dynamic cases for multicomponent simulations with different relaxation time ratios.
Pointwise Description for the Linearized Fokker-Planck-Boltzmann Model
Wu, Kung-Chien
2015-09-01
In this paper, we study the pointwise (in the space variable) behavior of the linearized Fokker-Planck-Boltzmann model for nonsmooth initial perturbations. The result reveals both the fluid and kinetic aspects of this model. The fluid-like waves are constructed as the long-wave expansion in the spectrum of the Fourier modes for the space variable, and it has polynomial time decay rate. We design a Picard-type iteration for constructing the increasingly regular kinetic-like waves, which are carried by the transport equations and have exponential time decay rate. The Mixture Lemma plays an important role in constructing the kinetic-like waves, this lemma was originally introduced by Liu-Yu (Commun Pure Appl Math 57:1543-1608, 2004) for Boltzmann equation, but the Fokker-Planck term in this paper creates some technical difficulties.
Global stability of the rarefaction wave of the Vlasov-Poisson-Boltzmann system
Duan, Renjun; Liu, Shuangqian
2014-01-01
This paper is devoted to the study of the nonlinear stability of the rarefaction waves of the Vlasov-Poisson-Boltzmann system with slab symmetry in the case where the electron background density satisfies an analogue of the Boltzmann relation. We allows that the electric potential may take distinct constant states at both far-fields. The rarefaction wave whose strength is not necessarily small is constructed through the quasineutral Euler equations coming from the zero-order fluid dynamic app...
Multi-component lattice-Boltzmann model with interparticle interaction
Shan, Xiaowen; Doolen, Gary
1995-01-01
A previously proposed [X. Shan and H. Chen, Phys. Rev. E {\\bf 47}, 1815, (1993)] lattice Boltzmann model for simulating fluids with multiple components and interparticle forces is described in detail. Macroscopic equations governing the motion of each component are derived by using Chapman-Enskog method. The mutual diffusivity in a binary mixture is calculated analytically and confirmed by numerical simulation. The diffusivity is generally a function of the concentrations of the two component...
A Lattice Boltzmann model for diffusion of binary gas mixtures
Bennett, Sam
2010-01-01
This thesis describes the development of a Lattice Boltzmann (LB) model for a binary gas mixture. Specifically, channel flow driven by a density gradient with diffusion slip occurring at the wall is studied in depth. The first part of this thesis sets the foundation for the multi-component model used in the subsequent chapters. Commonly used single component LB methods use a non-physical equation of state, in which the relationship between pressure and density varies according to the sca...
Lattice Boltzmann Method for mixtures at variable Schmidt number
Monteferrante, Michele; Melchionna, Simone; Marconi, Umberto Marini Bettolo
2015-01-01
When simulating multicomponent mixtures via the Lattice Boltzmann Method, it is desirable to control the mutual diffusivity between species while maintaining the viscosity of the solution fixed. This goal is herein achieved by a modification of the multicomponent Bhatnagar-Gross-Krook (BGK) evolution equations by introducing two different timescales for mass and momentum diffusion. Diffusivity is thus controlled by an effective drag force acting between species. Numerical simulations confirm ...
Stochastic particle approximations for generalized Boltzmann models and convergence estimates
Graham, Carl; Méléard, Sylvie
1997-01-01
We specify the Markov process corresponding to a generalized mollified Boltzmann equation with general motion between collisions and nonlinear bounded jump (collision) operator, and give the nonlinear martingale problem it solves. We consider various linear interacting particle systems in order to approximate this nonlinear process. We prove propagation of chaos, in variation norm on path space with a precise rate of convergence, using coupling and interaction graph techniqu...
Ludwig Boltzmann A Pioneer of Modern Physics
Flamm, D
1997-01-01
In two respects Ludwig Boltzmann was a pioneer of quantum mechanics. First because in his statistical interpretation of the second law of thermodynamics he introduced the theory of probability into a fundamental law of physics and thus broke with the classical prejudice, that fundamental laws have to be strictly deterministic. Even Max Planck had not been ready to accept Boltzmann's statistical methods until 1900. With Boltzmann's pioneering work the probabilistic interpretation of quantum mechanics had already a precedent. In fact in a paper in 1897 Boltzmann had already suggested to Planck to use his statistical methods for the treatment of black body radiation. The second pioneering step towards quantum mechanics was Boltzmann's introduction of discrete energy levels. Boltzmann used this method already in his 1872 paper on the H-theorem. One may ask whether Boltzmann considered this procedure only as a mathematical device or whether he attributed physical significance to it. In this connection Ostwald repo...
Numerical approximation of the Euler-Poisson-Boltzmann model in the quasineutral limit
Degond, Pierre; Savelief, Dominique; Vignal, Marie-Hélène
2010-01-01
This paper analyzes various schemes for the Euler-Poisson-Boltzmann (EPB) model of plasma physics. This model consists of the pressureless gas dynamics equations coupled with the Poisson equation and where the Boltzmann relation relates the potential to the electron density. If the quasi-neutral assumption is made, the Poisson equation is replaced by the constraint of zero local charge and the model reduces to the Isothermal Compressible Euler (ICE) model. We compare a numerical strategy based on the EPB model to a strategy using a reformulation (called REPB formulation). The REPB scheme captures the quasi-neutral limit more accurately.
On Training Deep Boltzmann Machines
Desjardins, Guillaume; Courville, Aaron; Bengio, Yoshua
2012-01-01
The deep Boltzmann machine (DBM) has been an important development in the quest for powerful "deep" probabilistic models. To date, simultaneous or joint training of all layers of the DBM has been largely unsuccessful with existing training methods. We introduce a simple regularization scheme that encourages the weight vectors associated with each hidden unit to have similar norms. We demonstrate that this regularization can be easily combined with standard stochastic maximum likelihood to yie...
Student understanding of the Boltzmann factor
Smith, Trevor I; Thompson, John R
2015-01-01
We present results of our investigation into student understanding of the physical significance and utility of the Boltzmann factor in several simple models. We identify various justifications, both correct and incorrect, that students use when answering written questions that require application of the Boltzmann factor. Results from written data as well as teaching interviews suggest that many students can neither recognize situations in which the Boltzmann factor is applicable, nor articulate the physical significance of the Boltzmann factor as an expression for multiplicity, a fundamental quantity of statistical mechanics. The specific student difficulties seen in the written data led us to develop a guided-inquiry tutorial activity, centered around the derivation of the Boltzmann factor, for use in undergraduate statistical mechanics courses. We report on the development process of our tutorial, including data from teaching interviews and classroom observations on student discussions about the Boltzmann f...
Boltzmann-Fokker-Planck calculations using standard discrete-ordinates codes
International Nuclear Information System (INIS)
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
Master equation for a quantum particle in a gas
Hornberger, Klaus
2006-01-01
The equation for the quantum motion of a Brownian particle in a gaseous environment is derived by means of S-matrix theory. This quantum version of the linear Boltzmann equation accounts non-perturbatively for the quantum effects of the scattering dynamics and describes decoherence and dissipation in a unified framework. As a completely positive master equation it incorporates both the known equation for an infinitely massive Brownian particle and the classical linear Boltzmann equation as li...
Quadrature-based Lattice Boltzmann Model for Relativistic Flows
Blaga, Robert
2016-01-01
A quadrature-based finite-difference lattice Boltzmann model is developed that is suitable for simulating relativistic flows of massless particles. We briefly review the relativistc Boltzmann equation and present our model. The quadrature is constructed such that the stress-energy tensor is obtained as a second order moment of the distribution function. The results obtained with our model are presented for a particular instance of the Riemann problem (the Sod shock tube). We show that the model is able to accurately capture the behavior across the whole domain of relaxation times, from the hydrodynamic to the ballistic regime. The property of the model of being extendable to arbitrarily high orders is shown to be paramount for the recovery of the analytical result in the ballistic regime.
Modified Lattice Boltzmann method for compressible fluid simulations
International Nuclear Information System (INIS)
A modified lattice Boltzmann algorithm is shown to have much better stability to growing temperature perturbations, when compared with the standard lattice Boltzmann algorithm. The damping rates of long-wavelength waves, which determine stability, are derived using a collisional equilibrium distribution function which has the property that the Euler equations are obtained exactly in the limit of zero time step. Using this equilibrium distribution function, we show that our algorithm has inherent positive hyperviscosity and hyperdiffusivity, for very small values of viscosity and thermal diffusivity, which are lacking in the standard algorithm. Short-wavelength modes are shown to be stable for temperatures greater than a lower limit. Results from a computer code are used to compare these algorithms, and to confirm the damping rate predictions made analytically. Finite amplitude sound waves in the simulated fluid steepen, as expected from gas dynamic theory
Modified lattice Boltzmann method for compressible fluid simulations.
Hinton, F L; Rosenbluth, M N; Wong, S K; Lin-Liu, Y R; Miller, R L
2001-06-01
A modified lattice Boltzmann algorithm is shown to have much better stability to growing temperature perturbations, when compared with the standard lattice Boltzmann algorithm. The damping rates of long-wavelength waves, which determine stability, are derived using a collisional equilibrium distribution function which has the property that the Euler equations are obtained exactly in the limit of zero time step. Using this equilibrium distribution function, we show that our algorithm has inherent positive hyperviscosity and hyperdiffusivity, for very small values of viscosity and thermal diffusivity, which are lacking in the standard algorithm. Short-wavelength modes are shown to be stable for temperatures greater than a lower limit. Results from a computer code are used to compare these algorithms, and to confirm the damping rate predictions made analytically. Finite amplitude sound waves in the simulated fluid steepen, as expected from gas dynamic theory. PMID:11415085
Lattice Boltzmann method for bosons and fermions and the fourth order Hermite polynomial expansion
Coelho, Rodrigo C V; Doria, M M; Pereira, R M; Aibe, Valter Yoshihiko
2013-01-01
The Boltzmann equation with the Bhatnagar-Gross-Krook collision operator is considered for the Bose-Einstein and Fermi-Dirac equilibrium distribution functions. We show that the expansion of the microscopic velocity in terms of Hermite polynomials must be carried until the fourth order to correctly describe the energy equation. The viscosity and thermal coefficients, previously obtained by J.Y. Yang et al through the Uehling-Uhlenbeck approach, are also derived here. Thus the construction of a lattice Boltzmann method for the quantum fluid is possible provided that the Bose-Einstein and Fermi-Dirac equilibrium distribution functions are expanded until fourth order in the Hermite polynomials.
A Lattice-Boltzmann method for the simulation of transport phenomena in charged colloids
Horbach, Juergen; Frenkel, Daan
2001-01-01
We present a new simulation scheme based on the Lattice-Boltzmann method to simulate the dynamics of charged colloids in an electrolyte. In our model we describe the electrostatics on the level of a Poisson-Boltzmann equation and the hydrodynamics of the fluid by the linearized Navier-Stokes equations. We verify our simulation scheme by means of a Chapman-Enskog expansion. Our method is applied to the calculation of the reduced sedimentation velocity U/U_0 for a cubic array of charged spheres...
Lattice-Boltzmann method for the simulation of transport phenomena in charged colloids
Horbach, J.; Frenkel, D
2001-01-01
We present a simulation scheme based on the lattice-Boltzmann method to simulate the dynamics of charged colloids in an electrolyte. In our model we describe the electrostatics on the level of a Poisson-Boltzmann equation and the hydrodynamics of the fluid by the linearized Navier-Stokes equations. We verify our simulation scheme by means of a Chapman-Enskog expansion. Our method is applied to the calculation of the reduced sedimentation velocity U/U0 for a cubic array of charged spheres in a...
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...
International Nuclear Information System (INIS)
The Boltzmann-Uhlenbeck (BUU) equation, which is the time evolution of the wigner function of the single particle Green's function, is dervied by using the closed-time Green's function approach. The quantum mechanical approximation in derving the BUU equation is discussed
Appendix: Chapman-Enskog Expansion in the Lattice Boltzmann Method
Li, Jun
2015-01-01
The Chapman-Enskog expansion was used in the lattice Boltzmann method (LBM) to derive a Navier-Stokes-like equation and a formula was obtained to correlate the LBM model parameters to the kinematic viscosity implicitly implemented in LBM simulations. The obtained correlation formula usually works as long as the model parameters are carefully selected to make the Mach number and Knudsen number small although the validity of Chapman-Enskog expansion that has a formal definition of time derivative without tangible mathematical sense is not recognized by many mathematicians.
Lattice Boltzmann method and its application in engineering
Guo, Zhaoli
2013-01-01
Lattice Boltzmann method (LBM) is a relatively new simulation technique for the modeling of complex fluid systems and has attracted interest from researchers in computational physics. Unlike the traditional CFD methods, which solve the conservation equations of macroscopic properties (i.e., mass, momentum, and energy) numerically, LBM models the fluid consisting of fictive particles, and such particles perform consecutive propagation and collision processes over a discrete lattice mesh.This book will cover the fundamental and practical application of LBM. The first part of the book consists of
Multi-component lattice-Boltzmann model with interparticle interaction
Shan, X; Shan, Xiaowen; Doolen, Gary
1995-01-01
Abstract: A previously proposed [X. Shan and H. Chen, Phys. Rev. E {\\bf 47}, 1815, (1993)] lattice Boltzmann model for simulating fluids with multiple components and interparticle forces is described in detail. Macroscopic equations governing the motion of each component are derived by using Chapman-Enskog method. The mutual diffusivity in a binary mixture is calculated analytically and confirmed by numerical simulation. The diffusivity is generally a function of the concentrations of the two components but independent of the fluid velocity so that the diffusion is Galilean invariant. The analytically calculated shear kinematic viscosity of this model is also confirmed numerically.
An implicit Lagrangian lattice Boltzmann method for the compressible flows
Yan, Guangwu; Dong, Yinfeng; Liu, Yanhong
2006-08-01
In this paper, we propose a new Lagrangian lattice Boltzmann method (LBM) for simulating the compressible flows. The new scheme simulates fluid flows based on the displacement distribution functions. The compressible flows, such as shock waves and contact discontinuities are modelled by using Lagrangian LBM. In this model, we select the element in the Lagrangian coordinate to satisfy the basic fluid laws. This model is a simpler version than the corresponding Eulerian coordinates, because the convection term of the Euler equations disappears. The numerical simulations conform to classical results.
Moving Charged Particles in Lattice Boltzmann-Based Electrokinetics
Kuron, Michael; Schornbaum, Florian; Bauer, Martin; Godenschwager, Christian; Holm, Christian; de Graaf, Joost
2016-01-01
The motion of ionic solutes and charged particles under the influence of an electric field and the ensuing hydrodynamic flow of the underlying solvent is ubiquitous in aqueous colloidal suspensions. The physics of such systems is described by a coupled set of differential equations, along with boundary conditions, collectively referred to as the electrokinetic equations. Capuani et al. [J. Chem. Phys. 121, 973 (2004)] introduced a lattice-based method for solving this system of equations, which builds upon the lattice Boltzmann (LB) algorithm for the simulation of hydrodynamic flow and exploits computational locality. However, thus far, a description of how to incorporate moving boundary conditions, which are needed to simulate moving colloids, into the Capuani scheme has been lacking. In this paper, we detail how to introduce such moving boundaries, based on an analogue to the moving boundary method for the pure LB solver. The key ingredients in our method are mass and charge conservation for the solute spec...
Reprint of : The Boltzmann--Langevin approach: A simple quantum-mechanical derivation
Nagaev, K. E.
2016-08-01
We present a simple quantum-mechanical derivation of correlation function of Langevin sources in the semiclassical Boltzmann-Langevin equation. The specific case of electron-phonon scattering is considered. It is shown that the assumption of weak scattering leads to the Poisson nature of the scattering fluxes.
A Nonlinera Krylov Accelerator for the Boltzmann k-Eigenvalue Problem
Calef, Matthew T; Warsa, James S; Berndt, Markus; Carlson, Neil N
2011-01-01
We compare variants of Anderson Mixing with the Jacobian-Free Newton-Krylov and Broyden methods applied to the k-eigenvalue formulation of the linear Boltzmann transport equation. We present evidence that one variant of Anderson Mixing finds solutions in the fewest number of iterations. We examine and strengthen theoretical results of Anderson Mixing applied to linear problems.
Multiphase lattice Boltzmann methods theory and application
Huang, Haibo; Lu, Xiyun
2015-01-01
Theory and Application of Multiphase Lattice Boltzmann Methods presents a comprehensive review of all popular multiphase Lattice Boltzmann Methods developed thus far and is aimed at researchers and practitioners within relevant Earth Science disciplines as well as Petroleum, Chemical, Mechanical and Geological Engineering. Clearly structured throughout, this book will be an invaluable reference on the current state of all popular multiphase Lattice Boltzmann Methods (LBMs). The advantages and disadvantages of each model are presented in an accessible manner to enable the reader to choose the
Institute of Scientific and Technical Information of China (English)
李志辉; 彭傲平; 方方; 李四新; 张顺玉
2015-01-01
How to solve hypersonic aerothermodynamics and complex flow mechanism covering various flow regimes from high rarefied free-molecular flow of outer-layer space to continuum flow of near-ground is one of the frontier basic problems in the field of fluid physics. In this work, the unified Boltzmann model equation based on the molecular velocity distribution function is presented for describing complex hypersonic flow transport phenomena covering all flow regimes by physics analysis and model processing of the collision integral to the Boltzmann equation. The discrete velocity ordinate method is developed to simulate complex flows from low Mach numbers to hypersonic flight, and the gas-kinetic coupling-iteration numerical scheme is constructed directly to solve the evolution and updating of the molecular velocity distribution function by employing the unsteady time-splitting method and the NND finite-difference technique. Then, the gas-kinetic unified algorithm (GKUA) is presented to simulate the three-dimensional hypersonic aerothermodynamics and flow problems around space vehicles covering various flow regimes from free-molecule to continuum. To verify the accuracy and reliability of the present GKUA and simulate gas thermodynamic transport phenomena covering various flow regimes, firstly, the two-dimensional supersonic flows around a circular cylinder are simulated in the continuum regime of Kn∞ = 0.0001 and in the high rarefied regime of Kn∞ = 0.3 through the comparison between the Navier-Stokes (N-S) solution and the direct simulation Monte Carlo (DSMC) result, respectively. It is indicated that the GKUA can exactly converge to the N-S solution in the continuum flow regime, and the computed results of the GKUA are consistent with the DSMC simulation with a small deviation of 0.45%in the high rarefied flow regime. Then, the three-dimensional complex hypersonic flows around reusable satellite shape are studied as one of the engineering applications of the GKUA
Held, M
2015-01-01
A lattice Boltzmann method (LBM) approach to the Charney-Hasegawa-Mima (CHM) model for adiabatic drift wave turbulence in magnetised plasmas, is implemented. The CHM-LBM model contains a barotropic equation of state for the potential, a force term including a cross-product analogous to the Coriolis force in quasigeostrophic models, and a density gradient source term. Expansion of the resulting lattice Boltzmann model equations leads to cold-ion fluid continuity and momentum equations, which resemble CHM dynamics under drift ordering. The resulting numerical solutions of standard test cases (monopole propagation, stable drift modes and decaying turbulence) are compared to results obtained by a conventional finite difference scheme that directly discretizes the CHM equation. The LB scheme resembles characteristic CHM dynamics apart from an additional shear in the density gradient direction. The occuring shear reduces with the drift ratio and is ascribed to the compressible limit of the underlying LBM.
Student understanding of the Boltzmann factor
Smith, Trevor I.; Mountcastle, Donald B.; Thompson, John R.
2015-12-01
[This paper is part of the Focused Collection on Upper Division Physics Courses.] We present results of our investigation into student understanding of the physical significance and utility of the Boltzmann factor in several simple models. We identify various justifications, both correct and incorrect, that students use when answering written questions that require application of the Boltzmann factor. Results from written data as well as teaching interviews suggest that many students can neither recognize situations in which the Boltzmann factor is applicable nor articulate the physical significance of the Boltzmann factor as an expression for multiplicity, a fundamental quantity of statistical mechanics. The specific student difficulties seen in the written data led us to develop a guided-inquiry tutorial activity, centered around the derivation of the Boltzmann factor, for use in undergraduate statistical mechanics courses. We report on the development process of our tutorial, including data from teaching interviews and classroom observations of student discussions about the Boltzmann factor and its derivation during the tutorial development process. This additional information informed modifications that improved students' abilities to complete the tutorial during the allowed class time without sacrificing the effectiveness as we have measured it. These data also show an increase in students' appreciation of the origin and significance of the Boltzmann factor during the student discussions. Our findings provide evidence that working in groups to better understand the physical origins of the canonical probability distribution helps students gain a better understanding of when the Boltzmann factor is applicable and how to use it appropriately in answering relevant questions.
A Viscosity Adaptive Lattice Boltzmann Method
Conrad, Daniel
2015-01-01
The present thesis describes the development and validation of a viscosity adaption method for the numerical simulation of non-Newtonian fluids on the basis of the Lattice Boltzmann Method (LBM), as well as the development and verification of the related software bundle SAM-Lattice. By now, Lattice Boltzmann Methods are established as an alternative approach to classical computational fluid dynamics methods. The LBM has been shown to be an accurate and efficient tool for the numerical...
Matrix-valued Quantum Lattice Boltzmann Method
Mendl, Christian B
2013-01-01
We develop a numerical framework for the quantum analogue of the "classical" lattice Boltzmann method (LBM), with the Maxwell-Boltzmann distribution replaced by the Fermi-Dirac function. To accommodate the spin density matrix, the distribution functions become 2x2-matrix valued. We show that the efficient, commonly used BGK approximation of the collision operator is valid in the present setting. The framework could leverage the principles of LBM for simulating complex spin systems, with applications to spintronics.
Fluid Simulations with Localized Boltzmann Upscaling by Direct Simulation Monte-Carlo
Degond, Pierre; Dimarco, Giacomo
2010-01-01
In the present work, we present a novel numerical algorithm to couple the Direct Simulation Monte Carlo method (DSMC) for the solution of the Boltzmann equation with a finite volume like method for the solution of the Euler equations. Recently we presented in [14],[16],[17] different methodologies which permit to solve fluid dynamics problems with localized regions of departure from thermodynamical equilibrium. The methods rely on the introduction of buffer zones which realize a smooth transi...
Relaxation rate, diffusion approximation and Fick's law for inelastic scattering Boltzmann models
Lods, Bertrand; Mouhot, Clément; Toscani, Giuseppe
2008-01-01
We consider the linear dissipative Boltzmann equation describing inelastic interactions of particles with a fixed background. For the simplified model of Maxwell molecules first, we give a complete spectral analysis, and deduce from it the optimal rate of exponential convergence to equilibrium. Moreover we show the convergence to the heat equation in the diffusive limit and compute explicitely the diffusivity. Then for the physical model of hard spheres we use a suitable entropy functional fo...
Comment on ‘A low-uncertainty measurement of the Boltzmann constant’
Macnaughton, Donald B.
2016-02-01
The International Committee for Weights and Measures has projected a major revision of the International System of Units in which all the base units will be defined by fixing the values of certain fundamental constants of nature. To assist, de Podesta et al recently experimentally obtained a precise new estimate of the Boltzmann constant. This estimate is proposed as a basis for the redefinition of the unit of temperature, the kelvin. The present paper reports a reanalysis of de Podesta et al’s data that reveals systematic non-random patterns in the residuals of the key fitted model equation. These patterns violate the assumptions underlying the analysis and thus they raise questions about the validity of de Podesta et al’s estimate of the Boltzmann constant. An approach is discussed to address these issues, which should lead to an accurate estimate of the Boltzmann constant with a lower uncertainty.
Computational Aeroacoustics Using the Generalized Lattice Boltzmann Equation Project
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...
Beyond Poisson-Boltzmann: Numerical Sampling of Charge Density Fluctuations.
Poitevin, Frédéric; Delarue, Marc; Orland, Henri
2016-07-01
We present a method aimed at sampling charge density fluctuations in Coulomb systems. The derivation follows from a functional integral representation of the partition function in terms of charge density fluctuations. Starting from the mean-field solution given by the Poisson-Boltzmann equation, an original approach is proposed to numerically sample fluctuations around it, through the propagation of a Langevin-like stochastic partial differential equation (SPDE). The diffusion tensor of the SPDE can be chosen so as to avoid the numerical complexity linked to long-range Coulomb interactions, effectively rendering the theory completely local. A finite-volume implementation of the SPDE is described, and the approach is illustrated with preliminary results on the study of a system made of two like-charge ions immersed in a bath of counterions. PMID:27075231
Simulation of a Microfluidic Gradient Generator using Lattice Boltzmann Methods
Simon, Tanaka
2013-01-01
Microfluidics provides a powerful and versatile technology to accurately control spatial and temporal conditions for cell culturing and can therefore be used to study cellular responses to gradients. Here we use Lattice Boltzmann methods (LBM) to solve both the Navier-Stokes equation (NSE) for the fluid and the coupled convection-diffusion equation (CDE) for the compounds that form the diffusion-based gradient. The design of a microfluidic chamber for diffusion-based gradients must avoid flow through the cell chamber. This can be achieved by alternately opening the source and the sink channels. The fast toggling of microfluidic valves requires switching between different boundary conditions. We demonstrate that the LBM is a powerful method for handling complex geometries, high Peclet number conditions, discontinuities in the boundary conditions, and multiphysics coupling.
Lattice Boltzmann simulations of a viscoelastic shear-thinning fluid.
Papenkort, S; Voigtmann, Th
2015-07-28
We present a hybrid lattice Boltzmann algorithm for the simulation of flow glass-forming fluids, characterized by slow structural relaxation, at the level of the Navier-Stokes equation. The fluid is described in terms of a nonlinear integral constitutive equation, relating the stress tensor locally to the history of flow. As an application, we present results for an integral nonlinear Maxwell model that combines the effects of (linear) viscoelasticity and (nonlinear) shear thinning. We discuss the transient dynamics of velocities, shear stresses, and normal stress differences in planar pressure-driven channel flow, after switching on (startup) and off (cessation) of the driving pressure. This transient dynamics depends nontrivially on the channel width due to an interplay between hydrodynamic momentum diffusion and slow structural relaxation. PMID:26233150
Lattice Boltzmann simulations of a viscoelastic shear-thinning fluid
Papenkort, S.; Voigtmann, Th.
2015-07-01
We present a hybrid lattice Boltzmann algorithm for the simulation of flow glass-forming fluids, characterized by slow structural relaxation, at the level of the Navier-Stokes equation. The fluid is described in terms of a nonlinear integral constitutive equation, relating the stress tensor locally to the history of flow. As an application, we present results for an integral nonlinear Maxwell model that combines the effects of (linear) viscoelasticity and (nonlinear) shear thinning. We discuss the transient dynamics of velocities, shear stresses, and normal stress differences in planar pressure-driven channel flow, after switching on (startup) and off (cessation) of the driving pressure. This transient dynamics depends nontrivially on the channel width due to an interplay between hydrodynamic momentum diffusion and slow structural relaxation.
Energy Technology Data Exchange (ETDEWEB)
Toelke, J.
2001-07-01
The first part of this work is concerned with the development of methodological foundations for the computer simulation of two-phase flows like gas-liquid-mixtures in complex, three-dimensional structures. The basic numerical approach is the Lattice-Boltzmann scheme which is very suitable for this class of problems. After the approach is verified using standard test cases, the method is applied to complex engineering problems. The most important application is the simulation of the two-phase flow (air/water) in a laboratory-scale biofilm reactor for wastewater treatment. The second part of the work deals with the development of efficient numerical methods for the stationary discrete Boltzmann equations. They are discretized by finite differences on uniform and non-uniform grids and fast solvers are applied to the resulting algebraic system of equations. Also a multigrid approach is developed and examined. For typical problems like boundary-layer and driven cavity flow a considerable gain in computing time is achieved. (orig.)
Normal and adjoint integral and integrodifferential neutron transport equations. Pt. 2
International Nuclear Information System (INIS)
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)
Influence of asperities on fluid and thermal flow in a fracture: a coupled Lattice Boltzmann study
Neuville, Amélie; Toussaint, Renaud
2013-01-01
The characteristics of the hydro-thermal flow which occurs when a cold fluid is injected into a hot fractured bedrock depend on the morphology of the fracture. We consider a sharp triangular asperity, invariant in one direction, perturbing an otherwise flat fracture. We investigate its influence on the macroscopic hydraulic transmissivity and heat transfer efficiency, at fixed low Reynolds number. In this study, numerical simulations are done with a coupled lattice Boltzmann method that solves both the complete Navier-Stokes and advection-diffusion equations in three dimensions. The results are compared with those obtained under lubrication approximations which rely on many hypotheses and neglect the three-dimensional (3D) effects. The lubrication results are obtained by analytically solving the Stokes equation and a two-dimensional (integrated over the thickness) advection-diffusion equation. We use a lattice Boltzmann method with a double distribution (for mass and energy transport) on hypercubic and cubic ...
Conservation laws and kinetic equations
International Nuclear Information System (INIS)
It is shown that the conservation of a magnitude in a kinetic process can be stated at two different levels (microscopic and macroscopic) determining non-equivalent conditions on the associated transition probabilities. These conditions and related examples are explicitly given in the case of the Boltzmann equation. (author). 5 refs
Revised lattice Boltzmann model for traffic flow with equilibrium traffic pressure
Shi, Wei; Lu, Wei-Zhen; Xue, Yu; He, Hong-Di
2016-02-01
A revised lattice Boltzmann model concerning the equilibrium traffic pressure is proposed in this study to tackle the phase transition phenomena of traffic flow system. The traditional lattice Boltzmann model has limitation to investigate the complex traffic phase transitions due to its difficulty for modeling the equilibrium velocity distribution. Concerning this drawback, the equilibrium traffic pressure is taken into account to derive the equilibrium velocity distribution in the revised lattice Boltzmann model. In the proposed model, a three-dimensional velocity-space is assumed to determine the equilibrium velocity distribution functions and an alternative, new derivative approach is introduced to deduct the macroscopic equations with the first-order accuracy level from the lattice Boltzmann model. Based on the linear stability theory, the stability conditions of the corresponding macroscopic equations can be obtained. The outputs indicate that the stability curve is divided into three regions, i.e., the stable region, the neutral stability region, and the unstable region. In the stable region, small disturbance appears in the initial uniform flow and will vanish after long term evolution, while in the unstable region, the disturbance will be enlarged and finally leads to the traffic system entering the congested state. In the neutral stability region, small disturbance does not vanish with time and maintains its amplitude in the traffic system. Conclusively, the stability of traffic system is found to be enhanced as the equilibrium traffic pressure increases. Finally, the numerical outputs of the proposed model are found to be consistent with the recognized, theoretical results.
Phantom cosmology and Boltzmann brains problem
Astashenok, Artyom V; Yurov, Valerian V
2013-01-01
We consider the well-known Boltzmann brains problem in frames of simple phantom energy models with little rip, big rip and big freeze singularity. It is showed that these models (i) satisfy to observational data and (ii) may be free from Boltzmann brains problem. The human observers in phantom models can exist only in during for a certain period $t
Polyelectrolyte Microcapsules: Ion Distributions from a Poisson-Boltzmann Model
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.
Lattice Boltzmann Method for 3-D Flows with Curved Boundary
Mei, Renwei; Shyy, Wei; Yu, Dazhi; Luo, Li-Shi
2002-01-01
In this work, we investigate two issues that are important to computational efficiency and reliability in fluid dynamics applications of the lattice, Boltzmann equation (LBE): (1) Computational stability and accuracy of different lattice Boltzmann models and (2) the treatment of the boundary conditions on curved solid boundaries and their 3-D implementations. Three athermal 3-D LBE models (D3QI5, D3Ql9, and D3Q27) are studied and compared in terms of efficiency, accuracy, and robustness. The boundary treatment recently developed by Filippova and Hanel and Met et al. in 2-D is extended to and implemented for 3-D. The convergence, stability, and computational efficiency of the 3-D LBE models with the boundary treatment for curved boundaries were tested in simulations of four 3-D flows: (1) Fully developed flows in a square duct, (2) flow in a 3-D lid-driven cavity, (3) fully developed flows in a circular pipe, and (4) a uniform flow over a sphere. We found that while the fifteen-velocity 3-D (D3Ql5) model is more prone to numerical instability and the D3Q27 is more computationally intensive, the 63Q19 model provides a balance between computational reliability and efficiency. Through numerical simulations, we demonstrated that the boundary treatment for 3-D arbitrary curved geometry has second-order accuracy and possesses satisfactory stability characteristics.
Lattice Boltzmann Simulation for Complex Flow in a Solar Wall
Institute of Scientific and Technical Information of China (English)
CHEN Rou; Shao Jiu-Gu; ZHENG You-Qu; YU Hui-Dan; XU You-Sheng
2013-01-01
In this letter,we present a lattice Boltzmann simulation for complex flow in a solar wall system which includes porous media flow and heat transfer,specifically for solar energy utilization through an unglazed transpired solar air collector (UTC).Besides the lattice Boltzmann equation (LBE) for time evolution of particle distribution function for fluid field,we introduce an analogy,LBE for time evolution of distribution function for temperature.Both temperature fields of fluid (air) and solid (porous media) are modeled.We study the effects of fan velocity,solar radiation intensity,porosity,etc.on the thermal performance of the UTC.In general,our simulation results are in good agreement with what in literature.With the current system setting,both fan velocity and solar radiation intensity have significant effect on the thermal performance of the UTC.However,it is shown that the porosity has negligible effect on the heat collector indicating the current system setting might not be realistic.Further examinations of thermal performance in different UTC systems are ongoing.The results are expected to present in near future.
Grid refinement for entropic lattice Boltzmann models
Dorschner, B; Chikatamarla, S S; Karlin, I V
2016-01-01
We propose a novel multi-domain grid refinement technique with extensions to entropic incompressible, thermal and compressible lattice Boltzmann models. Its validity and accuracy are accessed by comparison to available direct numerical simulation and experiment for the simulation of isothermal, thermal and viscous supersonic flow. In particular, we investigate the advantages of grid refinement for the set-ups of turbulent channel flow, flow past a sphere, Rayleigh-Benard convection as well as the supersonic flow around an airfoil. Special attention is payed to analyzing the adaptive features of entropic lattice Boltzmann models for multi-grid simulations.
Hydrodynamic equations for granular mixtures
Garzo, V.; Dufty, J. W.
2003-01-01
Many features of granular media can be modeled by a fluid of hard spheres with inelastic collisions. Under rapid flow conditions, the macroscopic behavior of grains can be described through hydrodynamic equations accounting for dissipation among the interacting particles. A basis for the derivation of hydrodynamic equations and explicit expressions appearing in them is provided by the Boltzmann kinetic theory conveniently modified to account for inelastic binary collisions. The goal of this r...
An exact energy conservation property of the quantum lattice Boltzmann algorithm
International Nuclear Information System (INIS)
The quantum lattice Boltzmann algorithm offers a unitary and readily parallelisable discretisation of the Dirac equation that is free of the fermion-doubling problem. The expectation of the discrete time-advance operator is an exact invariant of the algorithm. Its imaginary part determines the expectation of the Hamiltonian operator, the energy of the solution, with an accuracy that is consistent with the overall accuracy of the algorithm. In the one-dimensional case, this accuracy may be increased from first to second order using a variable transformation. The three-dimensional quantum lattice Boltzmann algorithm uses operator splitting to approximate evolution under the three-dimensional Dirac equation by a sequence of solutions of one-dimensional Dirac equations. The three-dimensional algorithm thus inherits the energy conservation property of the one-dimensional algorithm, although the implementation shown remains only first-order accurate due to the splitting error. -- Highlights: ► The quantum lattice Boltzmann algorithm approximates the Dirac equation. ► It has an exact invariant: the expectation of the discrete time-advance operator. ► The invariant consistently approximates the energy of the continuous system. ► We achieve second-order accuracy through a variable transformation.
On the Kinetic Properties of Solitons in Nonlinear Schr\\"{o}dinger Equation
Baryakhtar, I. V.
1996-01-01
The Boltzmann type kinetic equation for solitons in Nonlinear Schr\\"{o}dinger equation has been constructed on the base of analysis of two soliton collision. Possible applications for Langmuir solitons in plasma and solitons in optic fiber are discussed.
Lattice Boltzmann Models for Complex Fluids
Flekkoy, E. G.; Herrmann, H. J.
1993-01-01
We present various Lattice Boltzmann Models which reproduce the effects of rough walls, shear thinning and granular flow. We examine the boundary layers generated by the roughness of the walls. Shear thinning produces plug flow with a sharp density contrast at the boundaries. Density waves are spontaneously generated when the viscosity has a nonlinear dependence on density which characterizes granular flow.
Boltzmann und das Ende des mechanistischen Weltbildes
Renn, Jürgen
2007-01-01
Der Wissenschaftshistoriker und Physiker Jürgen Renn untersucht die Rolle des österreichischen Physikers und Philosophen Ludwig Boltzmann (18441906) bei der Entwicklung der modernen Physik. Boltzmann war einer der letzen Vertreter des mechanistischen Weltbildes und stand somit am Ende eines Zeitalters. Renn porträtiert den Wissenschaftler aber als einen Pionier der modernen Physik, dessen Beschäftigung mit den inneren Spannungen der klassischen Physik ihn visionär zukünftige Fragestellungen aufgreifen ließ. So befasste sich Boltzmann etwa mit den Grenzproblemen zwischen Mechanik und Thermodynamik, die ihn zur Entwicklung immer raffinierterer Instrumente der statistischen Physik antrieb, die schließlich zu Schlüsselinstrumenten der modernen Physik wurden. Boltzmanns Werk steht somit am Übergang vom mechanistischen Weltbild zur Relativitäts- und Quantentheorie. Der Aussage des viel bekannteren Physikers Albert Einstein, dass Fantasie wichtiger sei als Wissen, hält Jürgen Renn im Hinblick auf Leben ...
Lattice Boltzmann method for mixtures at variable Schmidt number
Monteferrante, Michele; Melchionna, Simone; Marconi, Umberto Marini Bettolo
2014-07-01
When simulating multicomponent mixtures via the Lattice Boltzmann Method, it is desirable to control the mutual diffusivity between species while maintaining the viscosity of the solution fixed. This goal is herein achieved by a modification of the multicomponent Bhatnagar-Gross-Krook evolution equations by introducing two different timescales for mass and momentum diffusion. Diffusivity is thus controlled by an effective drag force acting between species. Numerical simulations confirm the accuracy of the method for neutral binary and charged ternary mixtures in bulk conditions. The simulation of a charged mixture in a charged slit channel show that the conductivity and electro-osmotic mobility exhibit a departure from the Helmholtz-Smoluchowski prediction at high diffusivity.
Full Eulerian lattice Boltzmann model for conjugate heat transfer.
Hu, Yang; Li, Decai; Shu, Shi; Niu, Xiaodong
2015-12-01
In this paper a full Eulerian lattice Boltzmann model is proposed for conjugate heat transfer. A unified governing equation with a source term for the temperature field is derived. By introducing the source term, we prove that the continuity of temperature and its normal flux at the interface is satisfied automatically. The curved interface is assumed to be zigzag lines. All physical quantities are recorded and updated on a Cartesian grid. As a result, any complicated treatment near the interface is avoided, which makes the proposed model suitable to simulate the conjugate heat transfer with complex interfaces efficiently. The present conjugate interface treatment is validated by several steady and unsteady numerical tests, including pure heat conduction, forced convection, and natural convection problems. Both flat and curved interfaces are also involved. The obtained results show good agreement with the analytical and/or finite volume results. PMID:26764851
Investigation of Resistivity of Saturated Porous Media with Lattice Boltzmann Method
Institute of Scientific and Technical Information of China (English)
YUE Wen-Zheng; TAO Guo; ZHU Ke-Qin
2004-01-01
The lattice Boltzmann method is employed to study the electrical transport properties of saturated porous media.Electrical current flow through the porous media is simulated and the relationship between resistivity index and water saturation is derived. It is found that this kind of relation is not a straight line as described by the Archie equation with the parameter n being a constant in a log-log scale. A new equation is thus developed to formulate this relation with n being a function of porosity and water saturation. The comparisons between the results by lattice Boltzmann and by the laboratory experiments on rock samples demonstrate that this numerical method can provide an alternative way for the expensive laboratory experiments to investigate the electrical transport properties of saturated porous media and can be used to explore micro mechanisms more conveniently.
Beyond Poisson–Boltzmann: fluctuations and fluid structure in a self-consistent theory
Buyukdagli, S.; Blossey, R.
2016-09-01
Poisson–Boltzmann (PB) theory is the classic approach to soft matter electrostatics and has been applied to numerous physical chemistry and biophysics problems. Its essential limitations are in its neglect of correlation effects and fluid structure. Recently, several theoretical insights have allowed the formulation of approaches that go beyond PB theory in a systematic way. In this topical review, we provide an update on the developments achieved in the self-consistent formulations of correlation-corrected Poisson–Boltzmann theory. We introduce a corresponding system of coupled non-linear equations for both continuum electrostatics with a uniform dielectric constant, and a structured solvent—a dipolar Coulomb fluid—including non-local effects. While the approach is only approximate and also limited to corrections in the so-called weak fluctuation regime, it allows us to include physically relevant effects, as we show for a range of applications of these equations.
Beyond Poisson-Boltzmann: fluctuations and fluid structure in a self-consistent theory.
Buyukdagli, S; Blossey, R
2016-09-01
Poisson-Boltzmann (PB) theory is the classic approach to soft matter electrostatics and has been applied to numerous physical chemistry and biophysics problems. Its essential limitations are in its neglect of correlation effects and fluid structure. Recently, several theoretical insights have allowed the formulation of approaches that go beyond PB theory in a systematic way. In this topical review, we provide an update on the developments achieved in the self-consistent formulations of correlation-corrected Poisson-Boltzmann theory. We introduce a corresponding system of coupled non-linear equations for both continuum electrostatics with a uniform dielectric constant, and a structured solvent-a dipolar Coulomb fluid-including non-local effects. While the approach is only approximate and also limited to corrections in the so-called weak fluctuation regime, it allows us to include physically relevant effects, as we show for a range of applications of these equations. PMID:27357125
SIMULATION OF TURBULENT FLOW OVER A BACKWARD FACING STEP USING LATTICE BOLTZMANN METHOD
Directory of Open Access Journals (Sweden)
NOR AZWADI C. SIDIK
2013-12-01
Full Text Available The lattice Boltzmann scheme for solving the equations governing the flow of fluids has become increasingly popular in recent years. In this method, a probability distribution function for the velocity of fluid elements is computed at each grid point, which contrasts with more established computational fluid dynamics methods, which solve for an average velocity. In this paper the effectiveness of the lattice Boltzmann equation (LBE as a computational tool for performing large-eddy simulations (LES of turbulent flows was assessed. Three- dimensional turbulent flow over backward facing step was considered for this investigation. LBE-LES and Navier Stokes Direct Numerical Simulation (NS-DNS results for this case has been compared and it was observed that the LBE-LES simulation is in good agreement with other computational simulations.
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.
Evaluation of the Performance of the Hybrid Lattice Boltzmann Based Numerical Flux
Zheng, H. W.; Shu, C.
2016-06-01
It is well known that the numerical scheme is a key factor to the stability and accuracy of a Navier-Stokes solver. Recently, a new hybrid lattice Boltzmann numerical flux (HLBFS) is developed by Shu's group. It combines two different LBFS schemes by a switch function. It solves the Boltzmann equation instead of the Euler equation. In this article, the main object is to evaluate the ability of this HLBFS scheme by our in-house cell centered hybrid mesh based Navier-Stokes code. Its performance is examined by several widely-used bench-mark test cases. The comparisons on results between calculation and experiment are conducted. They show that the scheme can capture the shock wave as well as the resolving of boundary layer.
Lattice-Boltzmann method for the simulation of transport phenomena in charged colloids.
Horbach, J; Frenkel, D
2001-12-01
We present a simulation scheme based on the lattice-Boltzmann method to simulate the dynamics of charged colloids in an electrolyte. In our model we describe the electrostatics on the level of a Poisson-Boltzmann equation and the hydrodynamics of the fluid by the linearized Navier-Stokes equations. We verify our simulation scheme by means of a Chapman-Enskog expansion. Our method is applied to the calculation of the reduced sedimentation velocity U/U(0) for a cubic array of charged spheres in an electrolyte. We show that we recover the analytical solution first derived by Booth [F. Booth, J. Chem. Phys. 22, 1956 (1954)] for a weakly charged, isolated sphere in an unbounded electrolyte. The present method makes it possible to go beyond the Booth theory, and we discuss the dependence of the sedimentation velocity on the charge of the spheres. Finally we compare our results to experimental data. PMID:11736191
Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum
Schnieders, Michael J.; Baker, Nathan A.; Ren, Pengyu; Ponder, Jay W.
2007-03-01
Modeling the change in the electrostatics of organic molecules upon moving from vacuum into solvent, due to polarization, has long been an interesting problem. In vacuum, experimental values for the dipole moments and polarizabilities of small, rigid molecules are known to high accuracy; however, it has generally been difficult to determine these quantities for a polar molecule in water. A theoretical approach introduced by Onsager [J. Am. Chem. Soc. 58, 1486 (1936)] used vacuum properties of small molecules, including polarizability, dipole moment, and size, to predict experimentally known permittivities of neat liquids via the Poisson equation. Since this important advance in understanding the condensed phase, a large number of computational methods have been developed to study solutes embedded in a continuum via numerical solutions to the Poisson-Boltzmann equation. Only recently have the classical force fields used for studying biomolecules begun to include explicit polarization in their functional forms. Here the authors describe the theory underlying a newly developed polarizable multipole Poisson-Boltzmann (PMPB) continuum electrostatics model, which builds on the atomic multipole optimized energetics for biomolecular applications (AMOEBA) force field. As an application of the PMPB methodology, results are presented for several small folded proteins studied by molecular dynamics in explicit water as well as embedded in the PMPB continuum. The dipole moment of each protein increased on average by a factor of 1.27 in explicit AMOEBA water and 1.26 in continuum solvent. The essentially identical electrostatic response in both models suggests that PMPB electrostatics offers an efficient alternative to sampling explicit solvent molecules for a variety of interesting applications, including binding energies, conformational analysis, and pKa prediction. Introduction of 150mM salt lowered the electrostatic solvation energy between 2 and 13kcal /mole, depending on
d'Eon, Eugene
2013-01-01
We derive new diffusion solutions to the monoenergetic generalized linear Boltzmann transport equation (GLBE) for the stationary collision density and scalar flux about an isotropic point source in an infinite $d$-dimensional absorbing medium with isotropic scattering. We consider both classical transport theory with exponentially-distributed free paths in arbitrary dimensions as well as a number of non-classical transport theories (non-exponential random flights) that describe a broader clas...
Galilean Invariant Fluid-Solid Interfacial Dynamics in Lattice Boltzmann Simulations
Wen, Binghai; Tu, Yusong; Wang, Chunlei; Fang, Haiping
2013-01-01
Galilean invariance is a fundamental property; however, although the lattice Boltzmann equation itself is Galilean invariant, this property is usually not taken into account in the treatment of the fluid-solid interface. Here, we show that consideration of Galilean invariance in fluid-solid interfacial dynamics can greatly enhance the computational accuracy and robustness in a numerical simulation. Surprisingly, simulations are so vastly improved that the force fluctuation is very small and a time average becomes unnecessary.
Dielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies
Cai, Qin; Ye, Xiang; Wang, Jun; Luo, Ray
2011-01-01
Continuum modeling of electrostatic interactions based upon the numerical solutions of the Poisson-Boltzmann equation has been widely adopted in biomolecular applications. To extend their applications to molecular dynamics and energy minimization, robust and efficient methodologies to compute solvation forces must be developed. In this study, we have first reviewed the theory for the computation of dielectric boundary forces based on the definition of the Maxwell stress tensor. This is follow...
Poisson-Boltzmann Calculations of Nonspecific Salt Effects on Protein-Protein Binding Free Energies
Bertonati, Claudia; Honig, Barry; Alexov, Emil
2007-01-01
The salt dependence of the binding free energy of five protein-protein hetero-dimers and two homo-dimers/tetramers was calculated from numerical solutions to the Poisson-Boltzmann equation. Overall, the agreement with experimental values is very good. In all cases except one involving the highly charged lactoglobulin homo-dimer, increasing the salt concentration is found both experimentally and theoretically to decrease the binding affinity. To clarify the source of salt effects, the salt-dep...
Lattice Boltzmann simulations of segregating binary fluid mixtures in shear flow
Lamura, A.; Gonnella, G.
2000-01-01
We apply lattice Boltzmann method to study the phase separation of a two-dimensional binary fluid mixture in shear flow. The algorithm can simulate systems described by the Navier-Stokes and convection-diffusion equations. We propose a new scheme for imposing the shear flow which has the advantage of preserving mass and momentum conservation on the boundary walls without introducing slip velocities. Our main results concern the presence of two typical lenght scales in the phase separation pro...
Dynamically adaptive Lattice Boltzmann simulation of shallow water flows with the Peano framework
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.
Javier A. Dottori; Boroni, Gustavo A.; Alejandro Clausse
2015-01-01
A method for modeling outflow boundary conditions in the lattice Boltzmann method (LBM) based on the maximization of the local entropy is presented. The maximization procedure is constrained by macroscopic values and downstream components. The method is applied to fully developed boundary conditions of the Navier-Stokes equations in rectangular channels. Comparisons are made with other alternative methods. In addition, the new downstream-conditioned entropy is studied and it was found that th...
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments
Fisicaro, G.; Genovese, L.; Andreussi, O.; Marzari, N.; Goedecker, S.
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.
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.
Lattice Boltzmann simulation of electrostatic double layer interaction force for nanoparticles
Shi, Grace X.; Jin, Yan; Lazouskaya, Volha; Wang, Chao; Wang, Lian-Ping
2011-11-01
Modeling the transport and retention of nanoparticles (NPs) through soil porous media requires an accurate description of the electrostatic interaction force between a nanoparticle and soil grain. In this study, we apply the lattice Boltzmann method to directly solve the nonlinear Poisson Boltzmann (PB) equation for several geometric configurations including plate-plate, NP-plate, and NP-NP interactions, for any surface potentials and interaction distances and for different boundary conditions. Interaction energy and force are then derived from the simulations. For the case of plate-plate interaction, the simulation results are compared to the exact solution of the nonlinear PB equation. It is shown that the linear PB solution is valid when the nondimensional surface potential is less than one, and that the linear PB solution over-predicts the interaction force for intermediate gap distances but under-predicts the force for small gap distances. For NP-plate and NP-NP interactions, an axisymmetric lattice Boltzmann formulation is developed to solve the governing equations. The results will be compared to the classic approximate expressions of interaction force to evaluate their validity and to study the effect of nanoparticle size. Work supported by NSF and USDA.
Neutron transport equation - indications on homogenization and neutron diffusion
International Nuclear Information System (INIS)
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
Lattice-Boltzmann simulations of droplet evaporation
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
Nuclear Flow in Consistent Boltzmann Algorithm Models
Kortemeyer, G.; Daffin, F.; Bauer, W.
1995-01-01
We investigate the stochastic Direct Simulation Monte Carlo method (DSMC) for numerically solving the collision-term in heavy-ion transport theories of the Boltzmann-Uehling-Uhlenbeck (BUU) type. The first major modification we consider is changes in the collision rates due to excluded volume and shadowing/screening effects (Enskog theory). The second effect studied by us is the inclusion of an additional advection term. These modifications ensure a non-vanishing second virial and change the ...
Privacy-Preserving Restricted Boltzmann Machine
Yu Li; Yuan Zhang; Yue Ji
2014-01-01
With the arrival of the big data era, it is predicted that distributed data mining will lead to an information technology revolution. To motivate different institutes to collaborate with each other, the crucial issue is to eliminate their concerns regarding data privacy. In this paper, we propose a privacy-preserving method for training a restricted boltzmann machine (RBM). The RBM can be got without revealing their private data to each other when using our privacy-preserving method. We provi...
Geometry of the restricted Boltzmann machine
Cueto, Maria Angelica; Morton, Jason; Sturmfels, Bernd
2009-01-01
The restricted Boltzmann machine is a graphical model for binary random variables. Based on a complete bipartite graph separating hidden and observed variables, it is the binary analog to the factor analysis model. We study this graphical model from the perspectives of algebraic statistics and tropical geometry, starting with the observation that its Zariski closure is a Hadamard power of the first secant variety of the Segre variety of projective lines. We derive a dimension formula for the ...
Improved learning algorithms for restricted Boltzmann machines
Cho, Kyunghyun
2011-01-01
A restricted Boltzmann machine (RBM) is often used as a building block for constructing deep neural networks and deep generative models which have gained popularity recently as one way to learn complex and large probabilistic models. In these deep models, it is generally known that the layer-wise pretraining of RBMs facilitates finding a more accurate model for the data. It is, hence, important to have an efficient learning method for RBM. The conventional learning is mostly performed us...
Azuara, Cyril; Lindahl, Erik; Koehl, Patrice; Orland, Henri; Delarue, Marc
2006-01-01
We describe a new way to calculate the electrostatic properties of macromolecules which eliminates the assumption of a constant dielectric value in the solvent region, resulting in a Generalized Poisson-Boltzmann-Langevin equation (GPBLE). We have implemented a web server (http://lorentz.immstr.pasteur.fr/pdb_hydro.php) that both numerically solves this equation and uses the resulting water density profiles to place water molecules at preferred sites of hydration. Surface atoms with high or l...
The periodic Lorentz gas in the Boltzmann-Grad limit: asymptotic estimates
Marklof, Jens
2010-01-01
The dynamics of a point particle in a periodic array of spherical scatterers converges, in the limit of small scatterer size, to a random flight process, whose paths are piecewise linear curves generated by a Markov process with memory two. The corresponding transport equation is distinctly different from the linear Boltzmann equation observed in the case of a random configuration of scatterers. In the present paper we provide asymptotic estimates for the transition probabilities of this Markov process. Our results in particular sharpen previous upper and lower bounds on the distribution of free path lengths obtained by Bourgain, Golse and Wennberg.
Riaud, Antoine; Zhao, Shufang; Wang, Kai; Cheng, Yi; Luo, Guangsheng
2014-05-01
Despite the popularity of the lattice-Boltzmann method (LBM) in simulating multiphase flows, a general approach for modeling dilute species in multiphase systems is still missing. In this report we propose to modify the collision operator of the solute by introducing a modified redistribution scheme. This operator is based on local fluid variables and keeps the parallelism inherent to LBM. After deriving macroscopic transport equations, an analytical equation of state of the solute is exhibited and the method is proven constituting a unified framework to simulate arbitrary solute distribution between phases, including single-phase soluble compounds, amphiphilic species with a partition coefficient, and surface-adsorbed compounds. PMID:25353915
Boltzmann electron PIC simulation of the E-sail effect
Janhunen, P.
2015-12-01
The solar wind electric sail (E-sail) is a planned in-space propulsion device that uses the natural solar wind momentum flux for spacecraft propulsion with the help of long, charged, centrifugally stretched tethers. The problem of accurately predicting the E-sail thrust is still somewhat open, however, due to a possible electron population trapped by the tether. Here we develop a new type of particle-in-cell (PIC) simulation for predicting E-sail thrust. In the new simulation, electrons are modelled as a fluid, hence resembling hybrid simulation, but in contrast to normal hybrid simulation, the Poisson equation is used as in normal PIC to calculate the self-consistent electrostatic field. For electron-repulsive parts of the potential, the Boltzmann relation is used. For electron-attractive parts of the potential we employ a power law which contains a parameter that can be used to control the number of trapped electrons. We perform a set of runs varying the parameter and select the one with the smallest number of trapped electrons which still behaves in a physically meaningful way in the sense of producing not more than one solar wind ion deflection shock upstream of the tether. By this prescription we obtain thrust per tether length values that are in line with earlier estimates, although somewhat smaller. We conclude that the Boltzmann PIC simulation is a new tool for simulating the E-sail thrust. This tool enables us to calculate solutions rapidly and allows to easily study different scenarios for trapped electrons.
Onishi, Yoshimoto; Takeshi, Ooshida; Tanaka, Tomohiro
2001-08-01
Motions of a vapor, transient to steady, due to evaporation and condensation processes occurring at the cylindrical condensed phases have been considered numerically based not only on the Boltzmann equation of BGK type but also on the formulation for phase-change problems at ordinary fluid dynamic level, in other words, the Navier-Stokes equations with the boundary conditions at the interface for evaporation and condensation derived earlier from a general asymptotic analysis of the weakly nonlinear version of the Boltzmann equation of BGK type. The results based on both of these systems of governing equations agree quite well, describing even the early processes of establishment of the flow fields as well as their transient and final states. The production of the waves, shock waves and contact regions, their propagation and interaction with the condensed phases are clearly seen on both systems of equations. From this fact, the usefulness of the fluid dynamic formulation can be recognized and it can be used for analyses of problems associated with phase changes in place of the Boltzmann equation of BGK type, although of course there are some restrictions on its applicability because of the parameters involved having restricted ranges of values.
Liu, Zhe; Jiang, Liwei; Zheng, Yisong
2016-01-01
The diagonal and Hall conductivities of graphene arising from the spin-orbit coupling impurity scattering are theoretically studied. Based on the continuous model, i.e. the massless Dirac equation, we derive analytical expressions of the conductivity tensor from both the Kubo and Boltzmann transport theories. By performing numerical calculations, we find that the Kubo quantum transport result of the diagonal conductivity within the self-consistent Born approximation exhibits an insulating gap around the Dirac point. And in this gap a well-defined quantized spin Hall plateau occurs. This indicates the realization of the quantum spin Hall state of graphene driven by the spin-orbit coupling impurities. In contrast, the semi-classical Boltzmann theory fails to predict such a topological insulating phase. The Boltzmann diagonal conductivity is nonzero even in the insulating gap, in which the Boltzmann spin Hall conductivity does not exhibit any quantized plateau. PMID:27029398
Dimensional Equations of Entropy
Sparavigna, Amelia Carolina
2015-01-01
Entropy is a quantity which is of great importance in physics and chemistry. The concept comes out of thermodynamics, proposed by Rudolf Clausius in his analysis of Carnot cycle and linked by Ludwig Boltzmann to the number of specific ways in which a physical system may be arranged. Any physics classroom, in its task of learning physics, has therefore to face this crucial concept. As we will show in this paper, the lectures can be enriched by discussing dimensional equations linked to the entropy of some physical systems.
Dimensional Equations of Entropy
Sparavigna, Amelia Carolina
2015-01-01
Entropy is a quantity which is of great importance in physics and chemistry. The concept comes out of thermodynamics, proposed by Rudolf Clausius in his analysis of Carnot cycle and linked by Ludwig Boltzmann to the number of specific ways in which a physical system may be arranged. Any physics classroom, in its task of learning physics, has therefore to face this crucial concept. As we will show in this paper, the lectures can be enriched by discussing dimensional equations linked to the ent...
An efficient annealing in Boltzmann machine in Hopfield neural network
Kin, Teoh Yeong; Hasan, Suzanawati Abu; Bulot, Norhisam; Ismail, Mohammad Hafiz
2012-09-01
This paper proposes and implements Boltzmann machine in Hopfield neural network doing logic programming based on the energy minimization system. The temperature scheduling in Boltzmann machine enhancing the performance of doing logic programming in Hopfield neural network. The finest temperature is determined by observing the ratio of global solution and final hamming distance using computer simulations. The study shows that Boltzmann Machine model is more stable and competent in term of representing and solving difficult combinatory problems.
Lattice Boltzmann modeling of three-phase incompressible flows
Liang, H.; Shi, B. C.; Chai, Z. H.
2016-01-01
In this paper, based on multicomponent phase-field theory we intend to develop an efficient lattice Boltzmann (LB) model for simulating three-phase incompressible flows. In this model, two LB equations are used to capture the interfaces among three different fluids, and another LB equation is adopted to solve the flow field, where a new distribution function for the forcing term is delicately designed. Different from previous multiphase LB models, the interfacial force is not used in the computation of fluid velocity, which is more reasonable from the perspective of the multiscale analysis. As a result, the computation of fluid velocity can be much simpler. Through the Chapman-Enskog analysis, it is shown that the present model can recover exactly the physical formulations for the three-phase system. Numerical simulations of extensive examples including two circular interfaces, ternary spinodal decomposition, spreading of a liquid lens, and Kelvin-Helmholtz instability are conducted to test the model. It is found that the present model can capture accurate interfaces among three different fluids, which is attributed to its algebraical and dynamical consistency properties with the two-component model. Furthermore, the numerical results of three-phase flows agree well with the theoretical results or some available data, which demonstrates that the present LB model is a reliable and efficient method for simulating three-phase flow problems.
Lattice Boltzmann modeling of three-phase incompressible flows.
Liang, H; Shi, B C; Chai, Z H
2016-01-01
In this paper, based on multicomponent phase-field theory we intend to develop an efficient lattice Boltzmann (LB) model for simulating three-phase incompressible flows. In this model, two LB equations are used to capture the interfaces among three different fluids, and another LB equation is adopted to solve the flow field, where a new distribution function for the forcing term is delicately designed. Different from previous multiphase LB models, the interfacial force is not used in the computation of fluid velocity, which is more reasonable from the perspective of the multiscale analysis. As a result, the computation of fluid velocity can be much simpler. Through the Chapman-Enskog analysis, it is shown that the present model can recover exactly the physical formulations for the three-phase system. Numerical simulations of extensive examples including two circular interfaces, ternary spinodal decomposition, spreading of a liquid lens, and Kelvin-Helmholtz instability are conducted to test the model. It is found that the present model can capture accurate interfaces among three different fluids, which is attributed to its algebraical and dynamical consistency properties with the two-component model. Furthermore, the numerical results of three-phase flows agree well with the theoretical results or some available data, which demonstrates that the present LB model is a reliable and efficient method for simulating three-phase flow problems. PMID:26871191
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.
Surface Tension of Acid Solutions: Fluctuations beyond the Non-linear Poisson-Boltzmann Theory
Markovich, Tomer; Podgornik, Rudi
2016-01-01
We extend our previous study of surface tension of ionic solutions and apply it to the case of acids (and salts) with strong ion-surface interactions. These ion-surface interactions yield a non-linear boundary condition with an effective surface charge due to adsorption of ions from the bulk onto the interface. The calculation is done using the loop-expansion technique, where the zero-loop (mean field) corresponds of the non-linear Poisson-Boltzmann equation. The surface tension is obtained analytically to one-loop order, where the mean-field contribution is a modification of the Poisson-Boltzmann surface tension, and the one-loop contribution gives a generalization of the Onsager-Samaras result. Our theory fits well a wide range of different acids and salts, and is in accord with the reverse Hofmeister series for acids.
Interpolation methods and the accuracy of lattice-Boltzmann mesh refinement
Energy Technology Data Exchange (ETDEWEB)
Guzik, Stephen M. [Colorado State Univ., Fort Collins, CO (United States). Dept. of Mechanical Engineering; Weisgraber, Todd H. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Colella, Phillip [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Alder, Berni J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2013-12-10
A lattice-Boltzmann model to solve the equivalent of the Navier-Stokes equations on adap- tively refined grids is presented. A method for transferring information across interfaces between different grid resolutions was developed following established techniques for finite- volume representations. This new approach relies on a space-time interpolation and solving constrained least-squares problems to ensure conservation. The effectiveness of this method at maintaining the second order accuracy of lattice-Boltzmann is demonstrated through a series of benchmark simulations and detailed mesh refinement studies. These results exhibit smaller solution errors and improved convergence when compared with similar approaches relying only on spatial interpolation. Examples highlighting the mesh adaptivity of this method are also provided.
Hypocoercivity for linear kinetic equations conserving mass
Dolbeault, Jean; Schmeiser, Christian
2010-01-01
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 like the linear Boltzmann equation 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.
Privacy-Preserving Restricted Boltzmann Machine
Directory of Open Access Journals (Sweden)
Yu Li
2014-01-01
Full Text Available With the arrival of the big data era, it is predicted that distributed data mining will lead to an information technology revolution. To motivate different institutes to collaborate with each other, the crucial issue is to eliminate their concerns regarding data privacy. In this paper, we propose a privacy-preserving method for training a restricted boltzmann machine (RBM. The RBM can be got without revealing their private data to each other when using our privacy-preserving method. We provide a correctness and efficiency analysis of our algorithms. The comparative experiment shows that the accuracy is very close to the original RBM model.
Privacy-preserving restricted boltzmann machine.
Li, Yu; Zhang, Yuan; Ji, Yue
2014-01-01
With the arrival of the big data era, it is predicted that distributed data mining will lead to an information technology revolution. To motivate different institutes to collaborate with each other, the crucial issue is to eliminate their concerns regarding data privacy. In this paper, we propose a privacy-preserving method for training a restricted boltzmann machine (RBM). The RBM can be got without revealing their private data to each other when using our privacy-preserving method. We provide a correctness and efficiency analysis of our algorithms. The comparative experiment shows that the accuracy is very close to the original RBM model. PMID:25101139
Application of lattice Boltzmann scheme to nanofluids
Institute of Scientific and Technical Information of China (English)
XUAN; Yimin; LI; Qiang; YAO; Zhengping
2004-01-01
A nanofluid is a particle suspension that consists of base liquids and nanoparticles. Nanofluid has greater potential for heat transfer enhancement than traditional solid-liquid mixture. By accounting for the external and internal forces acting on the suspended nanoparticles and interactions among the nanoparticles and fluid particles,a lattice Boltzmann model for simulating flow and energy transport processes inside the nanofluids is proposed. The irregular motion of the nanoparticles and inherent dynamic behavior of nanofluids are discussed. The distributions of suspended nanoparticles inside nanofluids are calculated.
Lattice Boltzmann methods for moving boundary flows
Energy Technology Data Exchange (ETDEWEB)
Inamuro, Takaji, E-mail: inamuro@kuaero.kyoto-u.ac.jp [Department of Aeronautics and Astronautics, and Advanced Research Institute of Fluid Science and Engineering, Graduate School of Engineering, Kyoto University, Kyoto 606-8501 (Japan)
2012-04-01
The lattice Boltzmann methods (LBMs) for moving boundary flows are presented. The LBM for two-phase fluid flows with the same density and the LBM combined with the immersed boundary method are described. In addition, the LBM on a moving multi-block grid is explained. Three numerical examples (a droplet moving in a constricted tube, the lift generation of a flapping wing and the sedimentation of an elliptical cylinder) are shown in order to demonstrate the applicability of the LBMs to moving boundary problems. (invited review)
Lattice Boltzmann methods for moving boundary flows
International Nuclear Information System (INIS)
The lattice Boltzmann methods (LBMs) for moving boundary flows are presented. The LBM for two-phase fluid flows with the same density and the LBM combined with the immersed boundary method are described. In addition, the LBM on a moving multi-block grid is explained. Three numerical examples (a droplet moving in a constricted tube, the lift generation of a flapping wing and the sedimentation of an elliptical cylinder) are shown in order to demonstrate the applicability of the LBMs to moving boundary problems. (invited review)
Non-orthogonal multiple-relaxation-time lattice Boltzmann method for incompressible thermal flows
Liu, Qing; Li, Dong
2015-01-01
In this paper, a non-orthogonal multiple-relaxation-time (MRT) lattice Boltzmann (LB) method for simulating incompressible thermal flows is presented. In the method, the incompressible Navier-Stokes equations and temperature equation (or convection-diffusion equation) are solved separately by two different MRT-LB models, which are proposed based on non-orthogonal transformation matrices constructed in terms of some proper non-orthogonal basis vectors obtained from the combinations of the lattice velocity components. The macroscopic equations for incompressible thermal flows can be recovered from the present method through the Chapman-Enskog analysis in the incompressible limit. Numerical simulations of several typical two-dimensional problems are carried out to validate the present method. It is found that the present numerical results are in good agreement with the analytical solutions or other numerical results of previous studies. Furthermore, the grid convergence tests indicate that the present MRT-LB met...
Convolution Inequalities for the Boltzmann Collision Operator
Alonso, Ricardo J.; Carneiro, Emanuel; Gamba, Irene M.
2010-09-01
We study integrability properties of a general version of the Boltzmann collision operator for hard and soft potentials in n-dimensions. A reformulation of the collisional integrals allows us to write the weak form of the collision operator as a weighted convolution, where the weight is given by an operator invariant under rotations. Using a symmetrization technique in L p we prove a Young’s inequality for hard potentials, which is sharp for Maxwell molecules in the L 2 case. Further, we find a new Hardy-Littlewood-Sobolev type of inequality for Boltzmann collision integrals with soft potentials. The same method extends to radially symmetric, non-increasing potentials that lie in some {Ls_{weak}} or L s . The method we use resembles a Brascamp, Lieb and Luttinger approach for multilinear weighted convolution inequalities and follows a weak formulation setting. Consequently, it is closely connected to the classical analysis of Young and Hardy-Littlewood-Sobolev inequalities. In all cases, the inequality constants are explicitly given by formulas depending on integrability conditions of the angular cross section (in the spirit of Grad cut-off). As an additional application of the technique we also obtain estimates with exponential weights for hard potentials in both conservative and dissipative interactions.
Droplet collision simulation by multi-speed lattice Boltzmann method
Lycett-Brown, D.; Karlin, I.V.; Luo, K. H.
2011-01-01
Realization of the Shan-Chen multiphase flow lattice Boltzmann model is considered in the framework of the higher-order Galilean invariant lattices. The present multiphase lattice Boltzmann model is used in two dimensional simulation of droplet collisions at high Weber numbers. Results are found to be in a good agreement with experimental findings.
The possible resolution of Boltzmann brains problem in phantom cosmology
Astashenok, Artyom V.; Yurov, Artyom V.; Yurov, Valerian V.
2013-01-01
We consider the well-known Boltzmann brains problem in frames of simple phantom energy models with little rip and big rip singularity. It is showed that these models (i) satisfy to observational data and (ii) may be free from Boltzmann brains problem. The human observers in phantom models can exist only in during for a certain period $t
Fractional Fokker-Planck Equations for Subdiffusion with Space-and-Time-Dependent Forces
Henry, B. I.; Langlands, T. A. M; Straka, P.
2010-01-01
We have derived a fractional Fokker-Planck equation for subdiffusion in a general space-and- time-dependent force field from power law waiting time continuous time random walks biased by Boltzmann weights. The governing equation is derived from a generalized master equation and is shown to be equivalent to a subordinated stochastic Langevin equation.
Thermodynamically admissible boundary conditions for the regularized 13 moment equations
International Nuclear Information System (INIS)
A phenomenological approach to the boundary conditions for linearized R13 equations is derived using the second law of thermodynamics. The phenomenological coefficients appearing in the boundary conditions are calculated by comparing the slip, jump, and thermal creep coefficients with linearized Boltzmann solutions for Maxwell’s accommodation model for different values of the accommodation coefficient. For this, the linearized R13 equations are solved for viscous slip, thermal creep, and temperature jump problems and the results are compared to the solutions of the linearized Boltzmann equation. The influence of different collision models (hard-sphere, Bhatnagar–Gross–Krook, and Maxwell molecules) and accommodation coefficients on the phenomenological coefficients is studied
Thermodynamically admissible boundary conditions for the regularized 13 moment equations
Rana, Anirudh Singh; Struchtrup, Henning
2016-02-01
A phenomenological approach to the boundary conditions for linearized R13 equations is derived using the second law of thermodynamics. The phenomenological coefficients appearing in the boundary conditions are calculated by comparing the slip, jump, and thermal creep coefficients with linearized Boltzmann solutions for Maxwell's accommodation model for different values of the accommodation coefficient. For this, the linearized R13 equations are solved for viscous slip, thermal creep, and temperature jump problems and the results are compared to the solutions of the linearized Boltzmann equation. The influence of different collision models (hard-sphere, Bhatnagar-Gross-Krook, and Maxwell molecules) and accommodation coefficients on the phenomenological coefficients is studied.
Thermodynamically admissible boundary conditions for the regularized 13 moment equations
Energy Technology Data Exchange (ETDEWEB)
Rana, Anirudh Singh, E-mail: anirudh@uvic.ca [Department of Mechanical and Aerospace Engineering, Gyeongsang National University, Jinju, Gyeongnam 52828 (Korea, Republic of); Struchtrup, Henning, E-mail: struchtr@uvic.ca [Department of Mechanical Engineering, University of Victoria, Victoria, British Columbia V8W 2Y2 (Canada)
2016-02-15
A phenomenological approach to the boundary conditions for linearized R13 equations is derived using the second law of thermodynamics. The phenomenological coefficients appearing in the boundary conditions are calculated by comparing the slip, jump, and thermal creep coefficients with linearized Boltzmann solutions for Maxwell’s accommodation model for different values of the accommodation coefficient. For this, the linearized R13 equations are solved for viscous slip, thermal creep, and temperature jump problems and the results are compared to the solutions of the linearized Boltzmann equation. The influence of different collision models (hard-sphere, Bhatnagar–Gross–Krook, and Maxwell molecules) and accommodation coefficients on the phenomenological coefficients is studied.
Entropic Lattice Boltzmann Methods for Fluid Mechanics: Thermal, Multi-phase and Turbulence
Chikatamarla, Shyam; Boesch, F.; Frapolli, N.; Mazloomi, A.; Karlin, I.
2014-11-01
With its roots in statistical mechanics and kinetic theory, the lattice Boltzmann method (LBM) is a paradigm-changing innovation, offering for the first time an intrinsically parallel CFD algorithm. Over the past two decades, LBM has achieved numerous results in the field of CFD and is now in a position to challenge state-of-the art CFD techniques. Major restyling of LBM resulted in an unconditionally stable entropic LBM which restored Second Law (Boltzmann H theorem) in the LBM kinetics and thus enabled affordable direct simulations of fluid turbulence. In this talk, we shall review recent advances in ELBM as a practical, modeling-free tool for simulation of complex flow phenomenon. We shall present recent simulations of fluid turbulence including turbulent channel flow, flow past a circular cylinder, creation and dynamics of vortex tubes, and flow past a surface mounted cube. Apart from its achievements in turbulent flow simulations, ELBM has also presented us the opportunity to extend lattice Boltzmann method to higher order lattices which shall be employed for turbulent, multi-phase and thermal flow simulations. A new class of entropy functions are proposed to handle non-ideal equation of state and surface tension terms in multi-phase flows. It is shown the entropy principle brings unconditional stability and thermodynamic consistency to all the three flow regimes considered here. Acknowledgements: ERC Advanced Grant ``ELBM'' and CSCS grant s437 are deeply acknowledged. References:
Shrestha, Kalyan; Mompean, Gilmar; Calzavarini, Enrico
2016-02-01
A finite-volume (FV) discretization method for the lattice Boltzmann (LB) equation, which combines high accuracy with limited computational cost is presented. In order to assess the performance of the FV method we carry out a systematic comparison, focused on accuracy and computational performances, with the standard streaming lattice Boltzmann equation algorithm. In particular we aim at clarifying whether and in which conditions the proposed algorithm, and more generally any FV algorithm, can be taken as the method of choice in fluid-dynamics LB simulations. For this reason the comparative analysis is further extended to the case of realistic flows, in particular thermally driven flows in turbulent conditions. We report the successful simulation of high-Rayleigh number convective flow performed by a lattice Boltzmann FV-based algorithm with wall grid refinement. PMID:26986438
Hammou, H.; Ginzburg, I.; Boulerhcha, M.
2011-01-01
We develop two-relaxation-times Lattice Boltzmann schemes (TRT) with two relaxation functions Kð~r; tÞ for solving highly non-linear equations for groundwater modeling in d-dimensions, namely, the Richards equation for water content distribution hð~r; tÞ in unsaturated flow and the associated transport equation for solute concentration Cð~r; tÞ, advected by the local Darcian water flux. The method is verified against the analytical solutions and the HYDRUS code where the TRT schemes behave mo...
The Approach to Equilibrium: Detailed Balance and the Master Equation
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…
Transport Equations for Oscillating Neutrinos
Zhang, Yunfan
2013-01-01
We derive a suite of generalized Boltzmann equations, based on the density-matrix formalism, that incorporates the physics of neutrino oscillations for two- and three-flavor oscillations, matter refraction, and self-refraction. The resulting equations are straightforward extensions of the classical transport equations that nevertheless contain the full physics of quantum oscillation phenomena. In this way, our broadened formalism provides a bridge between the familiar neutrino transport algorithms employed by supernova modelers and the more quantum-heavy approaches frequently employed to illuminate the various neutrino oscillation effects. We also provide the corresponding angular-moment versions of this generalized equation set. Our goal is to make it easier for astrophysicists to address oscillation phenomena in a language with which they are familiar. The equations we derive are simple and practical, and are intended to facilitate progress concerning oscillation phenomena in the context of core-collapse su...
Consistent lattice Boltzmann methods for incompressible axisymmetric flows
Zhang, Liangqi; Yang, Shiliang; Zeng, Zhong; Yin, Linmao; Zhao, Ya; Chew, Jia Wei
2016-08-01
In this work, consistent lattice Boltzmann (LB) methods for incompressible axisymmetric flows are developed based on two efficient axisymmetric LB models available in the literature. In accord with their respective original models, the proposed axisymmetric models evolve within the framework of the standard LB method and the source terms contain no gradient calculations. Moreover, the incompressibility conditions are realized with the Hermite expansion, thus the compressibility errors arising in the existing models are expected to be reduced by the proposed incompressible models. In addition, an extra relaxation parameter is added to the Bhatnagar-Gross-Krook collision operator to suppress the effect of the ghost variable and thus the numerical stability of the present models is significantly improved. Theoretical analyses, based on the Chapman-Enskog expansion and the equivalent moment system, are performed to derive the macroscopic equations from the LB models and the resulting truncation terms (i.e., the compressibility errors) are investigated. In addition, numerical validations are carried out based on four well-acknowledged benchmark tests and the accuracy and applicability of the proposed incompressible axisymmetric LB models are verified.
One-dimensional transient radiative transfer by lattice Boltzmann method.
Zhang, Yong; Yi, Hongliang; Tan, Heping
2013-10-21
The lattice Boltzmann method (LBM) is extended to solve transient radiative transfer in one-dimensional slab containing scattering media subjected to a collimated short laser irradiation. By using a fully implicit backward differencing scheme to discretize the transient term in the radiative transfer equation, a new type of lattice structure is devised. The accuracy and computational efficiency of this algorithm are examined firstly. Afterwards, effects of the medium properties such as the extinction coefficient, the scattering albedo and the anisotropy factor, and the shapes of laser pulse on time-resolved signals of transmittance and reflectance are investigated. Results of the present method are found to compare very well with the data from the literature. For an oblique incidence, the LBM results in this paper are compared with those by Monte Carlo method generated by ourselves. In addition, transient radiative transfer in a two-Layer inhomogeneous media subjected to a short square pulse irradiation is investigated. At last, the LBM is further extended to study the transient radiative transfer in homogeneous medium with a refractive index discontinuity irradiated by the short pulse laser. Several trends on the time-resolved signals different from those for refractive index of 1 (i.e. refractive-index-matched boundary) are observed and analysed. PMID:24150298
Boltzmann electron PIC simulation of the E-sail effect
Janhunen, Pekka
2015-01-01
The solar wind electric sail (E-sail) is a planned in-space propulsion device that uses the natural solar wind momentum flux for spacecraft propulsion with the help of long, charged, centrifugally stretched tethers. The problem of accurately predicting the E-sail thrust is still somewhat open, however, due to a possible electron population trapped by the tether. Here we develop a new type of particle-in-cell (PIC) simulation for predicting E-sail thrust. In the new simulation, electrons are modelled as a fluid, hence resembling hydrid simulation, but in contrast to normal hybrid simulation, the Poisson equation is used as in normal PIC to calculate the self-consistent electrostatic field. For electron-repulsive parts of the potential, the Boltzmann relation is used. For electron-attractive parts of the potential we employ a power law which contains a parameter that can be used to control the number of trapped electrons. We perform a set of runs varying the parameter and select the one with the smallest number...
Finite-difference lattice Boltzmann simulation on acoustics-induced particle deposition
Fu, Sau-Chung; Yuen, Wai-Tung; Wu, Chili; Chao, Christopher Yu-Hang
2015-10-01
Particle manipulation by acoustics has been investigated for many years. By a proper design, particle deposition can be induced by the same principle. The use of acoustics can potentially be developed into an energy-efficient technique for particle removal or filtration system as the pressure drop due to acoustic effects is low and the flow velocity is not necessary to be high. Two nonlinear acoustic effects, acoustic streaming and acoustic radiation pressure, are important. Acoustic streaming introduces vortices and stagnation points on the surface of an air duct and removes the particles by deposition. Acoustic radiation pressure causes particles to form agglomerates and enhances inertial impaction and/or gravitational sedimentation. The objective of this paper is to develop a numerical model to investigate the particle deposition induced by acoustic effects. A three-step approach is adopted and lattice Boltzamnn technique is employed as the numerical method. This is because the lattice Boltzmann equation is hyperbolic and can be solved locally, explicitly, and efficiently on parallel computers. In the first step, the acoustic field and its mean square fluctuation values are calculated. Due to the advantage of the lattice Boltzmann technique, a simple, stable and fast lattice Boltzmann method is proposed and verified. The result of the first step is input into the second step to solve for acoustic streaming. Another finite difference lattice Boltzmann method, which has been validated by a number of flows and benchmark cases in the literature, is used. The third step consists in tracking the particle's motion by a Lagrangian approach where the acoustic radiation pressure is considered. The influence of the acoustics effects on particle deposition is explained. The numerical result matches with an experiment. The model is a useful tool for optimizing the design and helps to further develop the technique.
Mohammadipoor, O R; Niazmand, H; Mirbozorgi, S A
2014-01-01
Since the lattice Boltzmann method originally carries out the simulations on the regular Cartesian lattices, curved boundaries are often approximated as a series of stair steps. The most commonly employed technique for resolving curved-boundary problems is extrapolating or interpolating macroscopic properties of boundary nodes. Previous investigations have indicated that using more than one equation for extrapolation or interpolation in boundary conditions potentially causes abrupt changes in particle distributions. Therefore, a curved-boundary treatment is introduced to improve computational accuracy of the conventional stair-shaped approximation used in lattice Boltzmann simulations by using a unified equation for extrapolation of macroscopic variables. This boundary condition is not limited to fluid flow and can be extended to potential fields. The proposed treatment is tested against several well-established problems and the solutions order of accuracy is evaluated. Numerical results show that the present treatment is of second-order accuracy and has reliable stability characteristics. PMID:24580362
Training Restricted Boltzmann Machines on Word Observations
Dahl, George E; Larochelle, Hugo
2012-01-01
The restricted Boltzmann machine (RBM) is a flexible tool for modeling complex data, however there have been significant computational difficulties in using RBMs to model high-dimensional multinomial observations. In natural language processing applications, words are naturally modeled by K-ary discrete distributions, where K is determined by the vocabulary size and can easily be in the hundred thousands. The conventional approach to training RBMs on word observations is limited because it requires sampling the states of K-way softmax visible units during block Gibbs updates, an operation that takes time linear in K. In this work, we address this issue by employing a more general class of Markov chain Monte Carlo operators on the visible units, yielding updates with computational complexity independent of K. We demonstrate the success of our approach by training RBMs on hundreds of millions of word n-grams using larger vocabularies than previously feasible with RBMs and using the learned features to improve p...
Lattice-Boltzmann Simulation of Tablet Disintegration
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.
Ordinal Boltzmann Machines for Collaborative Filtering
Truyen, Tran The; Venkatesh, Svetha
2012-01-01
Collaborative filtering is an effective recommendation technique wherein the preference of an individual can potentially be predicted based on preferences of other members. Early algorithms often relied on the strong locality in the preference data, that is, it is enough to predict preference of a user on a particular item based on a small subset of other users with similar tastes or of other items with similar properties. More recently, dimensionality reduction techniques have proved to be equally competitive, and these are based on the co-occurrence patterns rather than locality. This paper explores and extends a probabilistic model known as Boltzmann Machine for collaborative filtering tasks. It seamlessly integrates both the similarity and co-occurrence in a principled manner. In particular, we study parameterisation options to deal with the ordinal nature of the preferences, and propose a joint modelling of both the user-based and item-based processes. Experiments on moderate and large-scale movie recomm...
Autotagging music with conditional restricted Boltzmann machines
Mandel, Michael; Larochelle, Hugo; Bengio, Yoshua
2011-01-01
This paper describes two applications of conditional restricted Boltzmann machines (CRBMs) to the task of autotagging music. The first consists of training a CRBM to predict tags that a user would apply to a clip of a song based on tags already applied by other users. By learning the relationships between tags, this model is able to pre-process training data to significantly improve the performance of a support vector machine (SVM) autotagging. The second is the use of a discriminative RBM, a type of CRBM, to autotag music. By simultaneously exploiting the relationships among tags and between tags and audio-based features, this model is able to significantly outperform SVMs, logistic regression, and multi-layer perceptrons. In order to be applied to this problem, the discriminative RBM was generalized to the multi-label setting and four different learning algorithms for it were evaluated, the first such in-depth analysis of which we are aware.
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.
Lattice Boltzmann model for resistive relativistic magnetohydrodynamics
Mohseni, F; Succi, S; Herrmann, H J
2015-01-01
In this paper, we develop a lattice Boltzmann model for relativistic magnetohydrodynamics (MHD). Even though the model is derived for resistive MHD, it is shown that it is numerically robust even in the high conductivity (ideal MHD) limit. In order to validate the numerical method, test simulations are carried out for both ideal and resistive limits, namely the propagation of Alfv\\'en waves in the ideal MHD and the evolution of current sheets in the resistive regime, where very good agreement is observed comparing to the analytical results. Additionally, two-dimensional magnetic reconnection driven by Kelvin-Helmholtz instability is studied and the effects of different parameters on the reconnection rate are investigated. It is shown that the density ratio has negligible effect on the magnetic reconnection rate, while an increase in shear velocity decreases the reconnection rate. Additionally, it is found that the reconnection rate is proportional to $\\sigma^{-\\frac{1}{2}}$, $\\sigma$ being the conductivity, w...
Thermal lattice Boltzmann method for complex microflows
Yasuoka, Haruka; Kaneda, Masayuki; Suga, Kazuhiko
2016-07-01
A methodology to simulate thermal fields in complex microflow geometries is proposed. For the flow fields, the regularized multiple-relaxation-time lattice Boltzmann method (LBM) is applied coupled with the diffusive-bounce-back boundary condition for wall boundaries. For the thermal fields, the regularized lattice Bhatnagar-Gross-Krook model is applied. For the thermal wall boundary condition, a newly developed boundary condition, which is a mixture of the diffuse scattering and constant temperature conditions, is applied. The proposed set of schemes is validated by reference data in the Fourier flows and square cylinder flows confined in a microchannel. The obtained results confirm that it is essential to apply the regularization to the thermal LBM for avoiding kinked temperature profiles in complex thermal flows. The proposed wall boundary condition is successful to obtain thermal jumps at the walls with good accuracy.
Bounds for the state-modulated resolvent of a linear Boltzmann generator
Clark, Jeremy
2011-01-01
We study a generalized resolvent for the generator of a Markovian semigroup. The Markovian generator appears in a linear Boltzmann equation modeling a one-dimensional test particle in a periodic potential and colliding elastically with particles from an ideal background gas. We obtain bounds for the state-modulated resolvent which are relevant in the regime where the mass ratio between the test particle and a particle from the gas is large. These bounds relate to the typical amount of time that the particle spends in different regions of phase space before arriving to a region around the origin.
Geng, Weihua; Krasny, Robert
2013-08-01
We present a treecode-accelerated boundary integral (TABI) solver for electrostatics of solvated biomolecules described by the linear Poisson-Boltzmann equation. The method employs a well-conditioned boundary integral formulation for the electrostatic potential and its normal derivative on the molecular surface. The surface is triangulated and the integral equations are discretized by centroid collocation. The linear system is solved by GMRES iteration and the matrix-vector product is carried out by a Cartesian treecode which reduces the cost from O(N2) to O(NlogN), where N is the number of faces in the triangulation. The TABI solver is applied to compute the electrostatic solvation energy in two cases, the Kirkwood sphere and a solvated protein. We present the error, CPU time, and memory usage, and compare results for the Poisson-Boltzmann and Poisson equations. We show that the treecode approximation error can be made smaller than the discretization error, and we compare two versions of the treecode, one with uniform clusters and one with non-uniform clusters adapted to the molecular surface. For the protein test case, we compare TABI results with those obtained using the grid-based APBS code, and we also present parallel TABI simulations using up to eight processors. We find that the TABI solver exhibits good serial and parallel performance combined with relatively simple implementation, efficient memory usage, and geometric adaptability.