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

Science.gov (United States)

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

2018-04-01

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

Exact Analytic Result of Contact Value for the Density in a Modified Poisson-Boltzmann Theory of an Electrical Double Layer.

Science.gov (United States)

Lou, Ping; Lee, Jin Yong

2009-04-14

For a simple modified Poisson-Boltzmann (SMPB) theory, taking into account the finite ionic size, we have derived the exact analytic expression for the contact values of the difference profile of the counterion and co-ion, as well as of the sum (density) and product profiles, near a charged planar electrode that is immersed in a binary symmetric electrolyte. In the zero ionic size or dilute limit, these contact values reduce to the contact values of the Poisson-Boltzmann (PB) theory. The analytic results of the SMPB theory, for the difference, sum, and product profiles were compared with the results of the Monte-Carlo (MC) simulations [ Bhuiyan, L. B.; Outhwaite, C. W.; Henderson, D. J. Electroanal. Chem. 2007, 607, 54 ; Bhuiyan, L. B.; Henderson, D. J. Chem. Phys. 2008, 128, 117101 ], as well as of the PB theory. In general, the analytic expression of the SMPB theory gives better agreement with the MC data than the PB theory does. For the difference profile, as the electrode charge increases, the result of the PB theory departs from the MC data, but the SMPB theory still reproduces the MC data quite well, which indicates the importance of including steric effects in modeling diffuse layer properties. As for the product profile, (i) it drops to zero as the electrode charge approaches infinity; (ii) the speed of the drop increases with the ionic size, and these behaviors are in contrast with the predictions of the PB theory, where the product is identically 1.

Poisson-Boltzmann theory of charged colloids: limits of the cell model for salty suspensions

International Nuclear Information System (INIS)

Denton, A R

2010-01-01

Thermodynamic properties of charge-stabilized colloidal suspensions and polyelectrolyte solutions are commonly modelled by implementing the mean-field Poisson-Boltzmann (PB) theory within a cell model. This approach models a bulk system by a single macroion, together with counterions and salt ions, confined to a symmetrically shaped, electroneutral cell. While easing numerical solution of the nonlinear PB equation, the cell model neglects microion-induced interactions and correlations between macroions, precluding modelling of macroion ordering phenomena. An alternative approach, which avoids the artificial constraints of cell geometry, exploits the mapping of a macroion-microion mixture onto a one-component model of pseudo-macroions governed by effective interparticle interactions. In practice, effective-interaction models are usually based on linear-screening approximations, which can accurately describe strong nonlinear screening only by incorporating an effective (renormalized) macroion charge. Combining charge renormalization and linearized PB theories, in both the cell model and an effective-interaction (cell-free) model, we compute osmotic pressures of highly charged colloids and monovalent microions, in Donnan equilibrium with a salt reservoir, over a range of concentrations. By comparing predictions with primitive model simulation data for salt-free suspensions, and with predictions from nonlinear PB theory for salty suspensions, we chart the limits of both the cell model and linear-screening approximations in modelling bulk thermodynamic properties. Up to moderately strong electrostatic couplings, the cell model proves accurate for predicting osmotic pressures of deionized (counterion-dominated) suspensions. With increasing salt concentration, however, the relative contribution of macroion interactions to the osmotic pressure grows, leading predictions from the cell and effective-interaction models to deviate. No evidence is found for a liquid

Quantum linear Boltzmann equation

International Nuclear Information System (INIS)

Vacchini, Bassano; Hornberger, Klaus

2009-01-01

We review the quantum version of the linear Boltzmann equation, which describes in a non-perturbative fashion, by means of scattering theory, how the quantum motion of a single test particle is affected by collisions with an ideal background gas. A heuristic derivation of this Lindblad master equation is presented, based on the requirement of translation-covariance and on the relation to the classical linear Boltzmann equation. After analyzing its general symmetry properties and the associated relaxation dynamics, we discuss a quantum Monte Carlo method for its numerical solution. We then review important limiting forms of the quantum linear Boltzmann equation, such as the case of quantum Brownian motion and pure collisional decoherence, as well as the application to matter wave optics. Finally, we point to the incorporation of quantum degeneracies and self-interactions in the gas by relating the equation to the dynamic structure factor of the ambient medium, and we provide an extension of the equation to include internal degrees of freedom.

Numerical solution of Boltzmann's equation

International Nuclear Information System (INIS)

Sod, G.A.

1976-04-01

The numerical solution of Boltzmann's equation is considered for a gas model consisting of rigid spheres by means of Hilbert's expansion. If only the first two terms of the expansion are retained, Boltzmann's equation reduces to the Boltzmann-Hilbert integral equation. Successive terms in the Hilbert expansion are obtained by solving the same integral equation with a different source term. The Boltzmann-Hilbert integral equation is solved by a new very fast numerical method. The success of the method rests upon the simultaneous use of four judiciously chosen expansions; Hilbert's expansion for the distribution function, another expansion of the distribution function in terms of Hermite polynomials, the expansion of the kernel in terms of the eigenvalues and eigenfunctions of the Hilbert operator, and an expansion involved in solving a system of linear equations through a singular value decomposition. The numerical method is applied to the study of the shock structure in one space dimension. Numerical results are presented for Mach numbers of 1.1 and 1.6. 94 refs, 7 tables, 1 fig

Ca/Na selectivity coefficients from the Poisson-Boltzmann theory

International Nuclear Information System (INIS)

Hedstroem, Magnus; Karnland, Ola

2010-01-01

Document available in extended abstract form only. A possible scenario in the post-glacial evolution of the bentonite buffer used in a KBS-3 repository for spent nuclear fuel is that parts of the buffer may erode due to sol formation caused by the extensive swelling of, in particular, Na-montmorillonite in water of low ionic strength. Presence of calcium in the interlayer has been shown to promote gel formation even in electrolytes with ionic strengths in the vicinity of those in glacial melt waters. In order to estimate the amount of calcium in the clay at the onset of glaciation one needs information of the selectivity coefficient for Ca/Na exchange. Hitherto, most experimental data for evaluating the Gaines-Thomas selectivity coefficient, K GT have been obtained in batch experiments, i.e. at high water-to-solid ratios. The conditions in highly compacted bentonite are, however, radically different in many respects, e.g. the interlayer space is on the nanometre scale and the concentration of counterions is in molar range. Therefore we would like to theoretically investigate the transferability of the selectivity coefficients, determined in batch experiments, to compacted conditions. We solve the Poisson-Boltzmann (PB) equation for two parallel charged surfaces in equilibrium with an external NaCl/CaCl 2 mixed solution. Integration of the ion concentration profiles obtained from the PB equation gives the occupancy of Na + and Ca 2+ in the clay. That information together with the composition of the external electrolyte is all that is needed for the calculation of K GT . With a surface layer-charge density of one charge per 145 A 2 , which is close to the value for Wyoming montmorillonite, we find a variation of the selectivity coefficient from about 4 M in batch to 8 M for compacted montmorillonite with dry density 1700 kg/m 3 . The significance as well as the physics behind these results will be presented in detail. The predictions, based on the PB theory, will

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

NARCIS (Netherlands)

Bijma, K; Engberts, J B F N

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

Painleve test and discrete Boltzmann equations

International Nuclear Information System (INIS)

Euler, N.; Steeb, W.H.

1989-01-01

The Painleve test for various discrete Boltzmann equations is performed. The connection with integrability is discussed. Furthermore the Lie symmetry vector fields are derived and group-theoretical reduction of the discrete Boltzmann equations to ordinary differentiable equations is performed. Lie Backlund transformations are gained by performing the Painleve analysis for the ordinary differential equations. 16 refs

An introduction to the theory of the Boltzmann equation

CERN Document Server

Harris, Stewart

2011-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-05-15

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

Kinetic Boltzmann, Vlasov and Related Equations

CERN Document Server

Sinitsyn, Alexander; Vedenyapin, Victor

2011-01-01

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

Flavored quantum Boltzmann equations

International Nuclear Information System (INIS)

Cirigliano, Vincenzo; Lee, Christopher; Ramsey-Musolf, Michael J.; Tulin, Sean

2010-01-01

We derive from first principles, using nonequilibrium field theory, the quantum Boltzmann equations that describe the dynamics of flavor oscillations, collisions, and a time-dependent mass matrix in the early universe. Working to leading nontrivial order in ratios of relevant time scales, we study in detail a toy model for weak-scale baryogenesis: two scalar species that mix through a slowly varying time-dependent and CP-violating mass matrix, and interact with a thermal bath. This model clearly illustrates how the CP asymmetry arises through coherent flavor oscillations in a nontrivial background. We solve the Boltzmann equations numerically for the density matrices, investigating the impact of collisions in various regimes.

Nonlinear Poisson equation for heterogeneous media.

Science.gov (United States)

Hu, Langhua; Wei, Guo-Wei

2012-08-22

The Poisson equation is a widely accepted model for electrostatic analysis. However, the Poisson equation is derived based on electric polarizations in a linear, isotropic, and homogeneous dielectric medium. This article introduces a nonlinear Poisson equation to take into consideration of hyperpolarization effects due to intensive charges and possible nonlinear, anisotropic, and heterogeneous media. Variational principle is utilized to derive the nonlinear Poisson model from an electrostatic energy functional. To apply the proposed nonlinear Poisson equation for the solvation analysis, we also construct a nonpolar solvation energy functional based on the nonlinear Poisson equation by using the geometric measure theory. At a fixed temperature, the proposed nonlinear Poisson theory is extensively validated by the electrostatic analysis of the Kirkwood model and a set of 20 proteins, and the solvation analysis of a set of 17 small molecules whose experimental measurements are also available for a comparison. Moreover, the nonlinear Poisson equation is further applied to the solvation analysis of 21 compounds at different temperatures. Numerical results are compared to theoretical prediction, experimental measurements, and those obtained from other theoretical methods in the literature. A good agreement between our results and experimental data as well as theoretical results suggests that the proposed nonlinear Poisson model is a potentially useful model for electrostatic analysis involving hyperpolarization effects. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

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

Directory of Open Access Journals (Sweden)

Thereza A. Soares

2004-08-01

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

POISSON SUPERFISH, Poisson Equation Solver for Radio Frequency Cavity

International Nuclear Information System (INIS)

Colman, J.

2001-01-01

1 - Description of program or function: POISSON, SUPERFISH is a group of (1) codes that solve Poisson's equation and are used to compute field quality for both magnets and fixed electric potentials and (2) RF cavity codes that calculate resonant frequencies and field distributions of the fundamental and higher modes. The group includes: POISSON, PANDIRA, SUPERFISH, AUTOMESH, LATTICE, FORCE, MIRT, PAN-T, TEKPLOT, SF01, and SHY. POISSON solves Poisson's (or Laplace's) equation for the vector (scalar) potential with nonlinear isotropic iron (dielectric) and electric current (charge) distributions for two-dimensional Cartesian or three-dimensional cylindrical symmetry. It calculates the derivatives of the potential, the stored energy, and performs harmonic (multipole) analysis of the potential. PANDIRA is similar to POISSON except it allows anisotropic and permanent magnet materials and uses a different numerical method to obtain the potential. SUPERFISH solves for the accelerating (TM) and deflecting (TE) resonant frequencies and field distributions in an RF cavity with two-dimensional Cartesian or three-dimensional cylindrical symmetry. Only the azimuthally symmetric modes are found for cylindrically symmetric cavities. AUTOMESH prepares input for LATTICE from geometrical data describing the problem, (i.e., it constructs the 'logical' mesh and generates (x,y) coordinate data for straight lines, arcs of circles, and segments of hyperbolas). LATTICE generates an irregular triangular (physical) mesh from the input data, calculates the 'point current' terms at each mesh point in regions with distributed current density, and sets up the mesh point relaxation order needed to write the binary problem file for the equation-solving POISSON, PANDIRA, or SUPERFISH. FORCE calculates forces and torques on coils and iron regions from POISSON or PANDIRA solutions for the potential. MIRT optimizes magnet profiles, coil shapes, and current densities from POISSON output based on a

Comparison of density functional and modified Poisson-Boltzmann structural properties for a spherical double layer

Directory of Open Access Journals (Sweden)

L.B.Bhuiyan

2005-01-01

Full Text Available The density functional and modified Poisson-Boltzmann descriptions of a spherical (electric double layer are compared and contrasted vis-a-vis existing Monte Carlo simulation data (for small ion diameter 4.25·10-10 m from the literature for a range of physical parameters such as macroion surface charge, macroion radius, valencies of the small ions, and electrolyte concentration. Overall, the theoretical predictions are seen to be remarkably consistent between themselves, being also in very good agreement with the simulations. Some modified Poisson-Boltzmann results for the zeta potential at small ion diameters of 3 and 2·10-10 m are also reported.

Global existence proof for relativistic Boltzmann equation

International Nuclear Information System (INIS)

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

1992-01-01

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

Poisson-Boltzmann theory of the charge-induced adsorption of semi-flexible polyelectrolytes.

Science.gov (United States)

Ubbink, Job; Khokhlov, Alexei R

2004-03-15

A model is suggested for the structure of an adsorbed layer of a highly charged semi-flexible polyelectrolyte on a weakly charged surface of opposite charge sign. The adsorbed phase is thin, owing to the effective reversal of the charge sign of the surface upon adsorption, and ordered, owing to the high surface density of polyelectrolyte strands caused by the generally strong binding between polyelectrolyte and surface. The Poisson-Boltzmann equation for the electrostatic interaction between the array of adsorbed polyelectrolytes and the charged surface is solved for a cylindrical geometry, both numerically, using a finite element method, and analytically within the weak curvature limit under the assumption of excess monovalent salt. For small separations, repulsive surface polarization and counterion osmotic pressure effects dominate over the electrostatic attraction and the resulting electrostatic interaction curve shows a minimum at nonzero separations on the Angstrom scale. The equilibrium density of the adsorbed phase is obtained by minimizing the total free energy under the condition of equality of chemical potential and osmotic pressure of the polyelectrolyte in solution and in the adsorbed phase. For a wide range of ionic conditions and charge densities of the charged surface, the interstrand separation as predicted by the Poisson-Boltzmann model and the analytical theory closely agree. For low to moderate charge densities of the adsorbing surface, the interstrand spacing decreases as a function of the charge density of the charged surface. Above about 0.1 M excess monovalent salt, it is only weakly dependent on the ionic strength. At high charge densities of the adsorbing surface, the interstrand spacing increases with increasing ionic strength, in line with the experiments by Fang and Yang [J. Phys. Chem. B 101, 441 (1997)]. (c) 2004 American Institute of Physics.

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

Science.gov (United States)

Lu, Benzhuo; Zhou, Y.C.

2011-01-01

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

Steric effects in the dynamics of electrolytes at large applied voltages. II. Modified Poisson-Nernst-Planck equations.

Science.gov (United States)

Kilic, Mustafa Sabri; Bazant, Martin Z; Ajdari, Armand

2007-02-01

In situations involving large potentials or surface charges, the Poisson-Boltzman (PB) equation has shortcomings because it neglects ion-ion interactions and steric effects. This has been widely recognized by the electrochemistry community, leading to the development of various alternative models resulting in different sets "modified PB equations," which have had at least qualitative success in predicting equilibrium ion distributions. On the other hand, the literature is scarce in terms of descriptions of concentration dynamics in these regimes. Here, adapting strategies developed to modify the PB equation, we propose a simple modification of the widely used Poisson-Nernst-Planck (PNP) equations for ionic transport, which at least qualitatively accounts for steric effects. We analyze numerical solutions of these modified PNP equations on the model problem of the charging of a simple electrolyte cell, and compare the outcome to that of the standard PNP equations. Finally, we repeat the asymptotic analysis of Bazant, Thornton, and Ajdari [Phys. Rev. E 70, 021506 (2004)] for this new system of equations to further document the interest and limits of validity of the simpler equivalent electrical circuit models introduced in Part I [Kilic, Bazant, and Ajdari, Phys. Rev. E 75, 021502 (2007)] for such problems.

Transient finite element analysis of electric double layer using Nernst-Planck-Poisson equations with a modified Stern layer.

Science.gov (United States)

Lim, Jongil; Whitcomb, John; Boyd, James; Varghese, Julian

2007-01-01

A finite element implementation of the transient nonlinear Nernst-Planck-Poisson (NPP) and Nernst-Planck-Poisson-modified Stern (NPPMS) models is presented. The NPPMS model uses multipoint constraints to account for finite ion size, resulting in realistic ion concentrations even at high surface potential. The Poisson-Boltzmann equation is used to provide a limited check of the transient models for low surface potential and dilute bulk solutions. The effects of the surface potential and bulk molarity on the electric potential and ion concentrations as functions of space and time are studied. The ability of the models to predict realistic energy storage capacity is investigated. The predicted energy is much more sensitive to surface potential than to bulk solution molarity.

CMB spectral distortions as solutions to the Boltzmann equations

Energy Technology Data Exchange (ETDEWEB)

Ota, Atsuhisa, E-mail: a.ota@th.phys.titech.ac.jp [Department of Physics, Tokyo Institute of Technology, Tokyo 152-8551 (Japan)

2017-01-01

We propose to re-interpret the cosmic microwave background spectral distortions as solutions to the Boltzmann equation. This approach makes it possible to solve the second order Boltzmann equation explicitly, with the spectral y distortion and the momentum independent second order temperature perturbation, while generation of μ distortion cannot be explained even at second order in this framework. We also extend our method to higher order Boltzmann equations systematically and find new type spectral distortions, assuming that the collision term is linear in the photon distribution functions, namely, in the Thomson scattering limit. As an example, we concretely construct solutions to the cubic order Boltzmann equation and show that the equations are closed with additional three parameters composed of a cubic order temperature perturbation and two cubic order spectral distortions. The linear Sunyaev-Zel'dovich effect whose momentum dependence is different from the usual y distortion is also discussed in the presence of the next leading order Kompaneets terms, and we show that higher order spectral distortions are also generated as a result of the diffusion process in a framework of higher order Boltzmann equations. The method may be applicable to a wider class of problems and has potential to give a general prescription to non-equilibrium physics.

Galerkin methods for Boltzmann-Poisson transport with reflection conditions on rough boundaries

Science.gov (United States)

Morales Escalante, José A.; Gamba, Irene M.

2018-06-01

We consider in this paper the mathematical and numerical modeling of reflective boundary conditions (BC) associated to Boltzmann-Poisson systems, including diffusive reflection in addition to specularity, in the context of electron transport in semiconductor device modeling at nano scales, and their implementation in Discontinuous Galerkin (DG) schemes. We study these BC on the physical boundaries of the device and develop a numerical approximation to model an insulating boundary condition, or equivalently, a pointwise zero flux mathematical condition for the electron transport equation. Such condition balances the incident and reflective momentum flux at the microscopic level, pointwise at the boundary, in the case of a more general mixed reflection with momentum dependant specularity probability p (k →). We compare the computational prediction of physical observables given by the numerical implementation of these different reflection conditions in our DG scheme for BP models, and observe that the diffusive condition influences the kinetic moments over the whole domain in position space.

Hot electrons in superlattices: quantum transport versus Boltzmann equation

DEFF Research Database (Denmark)

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

1999-01-01

A self-consistent solution of the transport equation is presented for semiconductor superlattices within different approaches: (i) a full quantum transport model based on nonequilibrium Green functions, (ii) the semiclassical Boltzmann equation for electrons in a miniband, and (iii) Boltzmann...

Boltzmann equations for a binary one-dimensional ideal gas.

Science.gov (United States)

Boozer, A D

2011-09-01

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

Analysis of spectral methods for the homogeneous Boltzmann equation

KAUST Repository

Filbet, Francis; Mouhot, Clé ment

2011-01-01

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.

Analysis of spectral methods for the homogeneous Boltzmann equation

KAUST Repository

Filbet, Francis

2011-04-01

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

Singularities in the nonisotropic Boltzmann equation

International Nuclear Information System (INIS)

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

1987-09-01

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

The lattice Boltzmann model for the second-order Benjamin–Ono equations

International Nuclear Information System (INIS)

Lai, Huilin; Ma, Changfeng

2010-01-01

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

High energy ion range and deposited energy calculation using the Boltzmann-Fokker-Planck splitting of the Boltzmann transport equation

International Nuclear Information System (INIS)

Mozolevski, I.E.

2001-01-01

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

General relativistic Boltzmann equation, II: Manifestly covariant treatment

NARCIS (Netherlands)

Debbasch, F.; van Leeuwen, W.A.

2009-01-01

In a preceding article we presented a general relativistic treatment of the derivation of the Boltzmann equation. The four-momenta occurring in this formalism were all on-shell four-momenta, verifying the mass-shell restriction p(2) = m(2)c(2). Due to this restriction, the resulting Boltzmann

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...

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

Energy Technology Data Exchange (ETDEWEB)

EL Safadi, M

2007-03-15

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

Thermal equation of state for lattice Boltzmann gases

International Nuclear Information System (INIS)

Zheng, Ran

2009-01-01

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 high order solver for the unbounded Poisson equation

DEFF Research Database (Denmark)

Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe

2013-01-01

. The method is extended to directly solve the derivatives of the solution to Poissonʼs equation. In this way differential operators such as the divergence or curl of the solution field can be solved to the same high order convergence without additional computational effort. The method, is applied......A high order converging Poisson solver is presented, based on the Greenʼs function solution to Poissonʼs equation subject to free-space boundary conditions. The high order convergence is achieved by formulating regularised integration kernels, analogous to a smoothing of the solution field...... and validated, however not restricted, to the equations of fluid mechanics, and can be used in many applications to solve Poissonʼs equation on a rectangular unbounded domain....

Application of Littlewood-Paley decomposition to the regularity of Boltzmann type kinetic equations

International Nuclear Information System (INIS)

EL Safadi, M.

2007-03-01

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)

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

International Nuclear Information System (INIS)

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

1979-01-01

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

A fast iterative scheme for the linearized Boltzmann equation

Science.gov (United States)

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

2017-06-01

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

On kinetic Boltzmann equations and related hydrodynamic flows with dry viscosity

Directory of Open Access Journals (Sweden)

Nikolai N. Bogoliubov (Jr.

2007-01-01

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

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.

Acceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units.

Science.gov (United States)

Qi, Ruxi; Botello-Smith, Wesley M; Luo, Ray

2017-07-11

Electrostatic interactions play crucial roles in biophysical processes such as protein folding and molecular recognition. Poisson-Boltzmann equation (PBE)-based models have emerged as widely used in modeling these important processes. Though great efforts have been put into developing efficient PBE numerical models, challenges still remain due to the high dimensionality of typical biomolecular systems. In this study, we implemented and analyzed commonly used linear PBE solvers for the ever-improving graphics processing units (GPU) for biomolecular simulations, including both standard and preconditioned conjugate gradient (CG) solvers with several alternative preconditioners. Our implementation utilizes the standard Nvidia CUDA libraries cuSPARSE, cuBLAS, and CUSP. Extensive tests show that good numerical accuracy can be achieved given that the single precision is often used for numerical applications on GPU platforms. The optimal GPU performance was observed with the Jacobi-preconditioned CG solver, with a significant speedup over standard CG solver on CPU in our diversified test cases. Our analysis further shows that different matrix storage formats also considerably affect the efficiency of different linear PBE solvers on GPU, with the diagonal format best suited for our standard finite-difference linear systems. Further efficiency may be possible with matrix-free operations and integrated grid stencil setup specifically tailored for the banded matrices in PBE-specific linear systems.

Axisymmetric multiphase lattice Boltzmann method for generic equations of state

NARCIS (Netherlands)

Reijers, S.A.; Gelderblom, H.; Toschi, F.

2016-01-01

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 103. Appropriate source terms are added to the lattice Boltzmann evolution equation to fully recover the axisymmetric multiphase conservation

Room temperature Young's modulus, shear modulus, Poisson's ratio and hardness of PbTe-PbS thermoelectric materials

Energy Technology Data Exchange (ETDEWEB)

Ni, Jennifer E [Chemical Engineering and Materials Science Department, Michigan State University, East Lansing, MI 48824 (United States); Case, Eldon D., E-mail: casee@egr.msu.edu [Chemical Engineering and Materials Science Department, Michigan State University, East Lansing, MI 48824 (United States); Khabir, Kristen N; Stewart, Ryan C [Chemical Engineering and Materials Science Department, Michigan State University, East Lansing, MI 48824 (United States); Wu, Chun-I; Hogan, Timothy P [Electrical and Computer Engineering Department, Michigan State University, East Lansing, MI 48824 (United States); Timm, Edward J [Mechanical Engineering Department, Michigan State University, East Lansing, MI 48824 (United States); Girard, Steven N; Kanatzidis, Mercouri G [Department of Chemistry, Northwestern University, Evanston, IL (United States)

2010-06-15

Two-phase PbTe-PbS materials, in which PbS is a nanostructured phase, are promising thermoelectric materials for the direct conversion of heat energy into electricity. In this study, a Vickers indentation mean hardness of 1.18 {+-} 0.09 GPa was measured for hot pressed specimens Pb{sub 0.95}Sn{sub 0.05}Te-PbS 8% while the mean hardness of cast specimens was 0.68 {+-} 0.07 GPa. The mean fracture toughness of the not pressed specimens was estimated as 0.35 {+-} 0.04 MPa m{sup 1/2} via Vickers indentation. Resonant Ultrasound Spectroscopy (RUS) measurements on hot pressed specimens gave mean values of Young's modulus, shear modulus and Poisson's ratio of 53.1 GPa, 21.4 GPa and 0.245, respectively while for the cast specimens the Young's and shear moduli were about 10% lower than for the hot pressed, with a mean value of Poisson's ratio of 0.245. The differences between the hardness and elastic moduli values for the cast and hot pressed specimens are discussed.

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

International Nuclear Information System (INIS)

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

Non-linear effects in the Boltzmann equation

International Nuclear Information System (INIS)

Barrachina, R.O.

1985-01-01

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

Solving (2 + 1)-dimensional sine-Poisson equation by a modified variable separated ordinary differential equation method

International Nuclear Information System (INIS)

Ka-Lin, Su; Yuan-Xi, Xie

2010-01-01

By introducing a more general auxiliary ordinary differential equation (ODE), a modified variable separated ordinary differential equation method is presented for solving the (2 + 1)-dimensional sine-Poisson equation. As a result, many explicit and exact solutions of the (2 + 1)-dimensional sine-Poisson equation are derived in a simple manner by this technique. (general)

The Poisson equation on Klein surfaces

Directory of Open Access Journals (Sweden)

Monica Rosiu

2016-04-01

Full Text Available We obtain a formula for the solution of the Poisson equation with Dirichlet boundary condition on a region of a Klein surface. This formula reveals the symmetric character of the solution.

Boltzmann-Langevin equation, dynamical instability and multifragmentation

International Nuclear Information System (INIS)

Feng-Shou Zhang

1993-02-01

By using simulations of the Boltzmann-Langevin equation which incorporates dynamical fluctuations beyond usual transport theories and by coupling it with a coalescence model, we obtain information on multifragmentation in heavy-ion collisions. From a calculation of the 40 Ca + 40 Ca system, we recover some trends of recent multifragmentation data

Selective Contrast Adjustment by Poisson Equation

Directory of Open Access Journals (Sweden)

Ana-Belen Petro

2013-09-01

Full Text Available Poisson Image Editing is a new technique permitting to modify the gradient vector field of an image, and then to recover an image with a gradient approaching this modified gradient field. This amounts to solve a Poisson equation, an operation which can be efficiently performed by Fast Fourier Transform (FFT. This paper describes an algorithm applying this technique, with two different variants. The first variant enhances the contrast by increasing the gradient in the dark regions of the image. This method is well adapted to images with back light or strong shadows, and reveals details in the shadows. The second variant of the same Poisson technique enhances all small gradients in the image, thus also sometimes revealing details and texture.

Boltzmann equation and hydrodynamics beyond Navier-Stokes.

Science.gov (United States)

Bobylev, A V

2018-04-28

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

Weighted particle method for solving the Boltzmann equation

International Nuclear Information System (INIS)

Tohyama, M.; Suraud, E.

1990-01-01

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 12 C. A comparison with usual stochastic methods is made. Advantages and disadvantages of the Weighted Particle Method are discussed

Direct simulation Monte Carlo method for the Uehling-Uhlenbeck-Boltzmann equation.

Science.gov (United States)

Garcia, Alejandro L; Wagner, Wolfgang

2003-11-01

In this paper we describe a direct simulation Monte Carlo algorithm for the Uehling-Uhlenbeck-Boltzmann equation in terms of Markov processes. This provides a unifying framework for both the classical Boltzmann case as well as the Fermi-Dirac and Bose-Einstein cases. We establish the foundation of the algorithm by demonstrating its link to the kinetic equation. By numerical experiments we study its sensitivity to the number of simulation particles and to the discretization of the velocity space, when approximating the steady-state distribution.

Solving the Fluid Pressure Poisson Equation Using Multigrid-Evaluation and Improvements.

Science.gov (United States)

Dick, Christian; Rogowsky, Marcus; Westermann, Rudiger

2016-11-01

In many numerical simulations of fluids governed by the incompressible Navier-Stokes equations, the pressure Poisson equation needs to be solved to enforce mass conservation. Multigrid solvers show excellent convergence in simple scenarios, yet they can converge slowly in domains where physically separated regions are combined at coarser scales. Moreover, existing multigrid solvers are tailored to specific discretizations of the pressure Poisson equation, and they cannot easily be adapted to other discretizations. In this paper we analyze the convergence properties of existing multigrid solvers for the pressure Poisson equation in different simulation domains, and we show how to further improve the multigrid convergence rate by using a graph-based extension to determine the coarse grid hierarchy. The proposed multigrid solver is generic in that it can be applied to different kinds of discretizations of the pressure Poisson equation, by using solely the specification of the simulation domain and pre-assembled computational stencils. We analyze the proposed solver in combination with finite difference and finite volume discretizations of the pressure Poisson equation. Our evaluations show that, despite the common assumption, multigrid schemes can exploit their potential even in the most complicated simulation scenarios, yet this behavior is obtained at the price of higher memory consumption.

A high order solver for the unbounded Poisson equation

DEFF Research Database (Denmark)

Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe

In mesh-free particle methods a high order solution to the unbounded Poisson equation is usually achieved by constructing regularised integration kernels for the Biot-Savart law. Here the singular, point particles are regularised using smoothed particles to obtain an accurate solution with an order...... of convergence consistent with the moments conserved by the applied smoothing function. In the hybrid particle-mesh method of Hockney and Eastwood (HE) the particles are interpolated onto a regular mesh where the unbounded Poisson equation is solved by a discrete non-cyclic convolution of the mesh values...... and the integration kernel. In this work we show an implementation of high order regularised integration kernels in the HE algorithm for the unbounded Poisson equation to formally achieve an arbitrary high order convergence. We further present a quantitative study of the convergence rate to give further insight...

Hypersonic Shock Wave Computations Using the Generalized Boltzmann Equation

Science.gov (United States)

Agarwal, Ramesh; Chen, Rui; Cheremisin, Felix G.

2006-11-01

Hypersonic shock structure in diatomic gases is computed by solving the Generalized Boltzmann Equation (GBE), where the internal and translational degrees of freedom are considered in the framework of quantum and classical mechanics respectively [1]. The computational framework available for the standard Boltzmann equation [2] is extended by including both the rotational and vibrational degrees of freedom in the GBE. There are two main difficulties encountered in computation of high Mach number flows of diatomic gases with internal degrees of freedom: (1) a large velocity domain is needed for accurate numerical description of the distribution function resulting in enormous computational effort in calculation of the collision integral, and (2) about 50 energy levels are needed for accurate representation of the rotational spectrum of the gas. Our methodology addresses these problems, and as a result the efficiency of calculations has increased by several orders of magnitude. The code has been validated by computing the shock structure in Nitrogen for Mach numbers up to 25 including the translational and rotational degrees of freedom. [1] Beylich, A., ``An Interlaced System for Nitrogen Gas,'' Proc. of CECAM Workshop, ENS de Lyon, France, 2000. [2] Cheremisin, F., ``Solution of the Boltzmann Kinetic Equation for High Speed Flows of a Rarefied Gas,'' Proc. of the 24th Int. Symp. on Rarefied Gas Dynamics, Bari, Italy, 2004.

Poisson equation for weak gravitational lensing

International Nuclear Information System (INIS)

Kling, Thomas P.; Campbell, Bryan

2008-01-01

Using the Newman and Penrose [E. T. Newman and R. Penrose, J. Math. Phys. (N.Y.) 3, 566 (1962).] spin-coefficient formalism, we examine the full Bianchi identities of general relativity in the context of gravitational lensing, where the matter and space-time curvature are projected into a lens plane perpendicular to the line of sight. From one component of the Bianchi identity, we provide a rigorous, new derivation of a Poisson equation for the projected matter density where the source term involves second derivatives of the observed weak gravitational lensing shear. We also show that the other components of the Bianchi identity reveal no new results. Numerical integration of the Poisson equation in test cases shows an accurate mass map can be constructed from the combination of a ground-based, wide-field image and a Hubble Space Telescope image of the same system

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

Directory of Open Access Journals (Sweden)

Florian Thüroff

2014-11-01

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

Generalized Boltzmann equations for on-shell particle production in a hot plasma

International Nuclear Information System (INIS)

Jakovac, A.

2002-01-01

A novel refinement of the conventional treatment of Kadanoff-Baym equations is suggested. In addition to the Boltzmann equation, another differential equation is used for calculating the evolution of the nonequilibrium 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 a smearing out of the nonanalytic threshold behavior of the spectral function. The possible consequences for the dilepton production are discussed

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

International Nuclear Information System (INIS)

Hendriks, E.M.

1983-01-01

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

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

International Nuclear Information System (INIS)

Gamba, Irene M.; Haack, Jeffrey R.

2014-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2011-04-08

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

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

International Nuclear Information System (INIS)

Uchaikin, V V; Sibatov, R T

2011-01-01

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

Ionic Liquids in Electro-active Devices (ILED)

Science.gov (United States)

2013-12-12

near a charged wall can be modeled by Poisson- Nernst -Planck (PNP) equations , Poisson-Boltzmann (PB) equations , and Gouy-Chapman-Stern (GCS) model...actuators can be calculated from the bending curvature к and the Young’s moduli of the ionic polymer layer Yi and the Au layer Ym by the equation below...Arrhenius equation exp a E p p RT (1) wherein p and aE are the conducting ion concentration as T and the activation energy for conducting

Applications of Boltzmann Langevin equation to nuclear collisions

International Nuclear Information System (INIS)

Suraud, E.; Belkacem, M.; Stryjewski, J.; Ayik, S.

1991-01-01

An approximate method for obtaining numerical solutions of the Boltzmann-Langevin equation is proposed. The method is applied to calculate the time evolution of the mean value and dispersion of the quadrupole and octupole moments of the momentum distribution in nucleus-nucleus collisions, and some consequences are discussed

A discontinuous Galerkin finite-element method for a 1D prototype of the Boltzmann equation

NARCIS (Netherlands)

Hoitinga, W.; Brummelen, van E.H.

2011-01-01

To develop and analyze new computational techniques for the Boltzmann equation based on model or approximation adaptivity, it is imperative to have disposal of a compliant model problem that displays the essential characteristics of the Boltzmann equation and that admits the extraction of highly

Collisionless Boltzmann equation approach for the study of stellar discs within barred galaxies

Science.gov (United States)

Bienaymé, Olivier

2018-04-01

We have studied the kinematics of stellar disc populations within the solar neighbourhood in order to find the imprints of the Galactic bar. We carried out the analysis by developing a numerical resolution of the 2D2V (two-dimensional in the physical space, 2D, and two-dimensional in the velocity motion, 2V) collisionless Boltzmann equation and modelling the stellar motions within the plane of the Galaxy within the solar neighbourhood. We recover similar results to those obtained by other authors using N-body simulations, but we are also able to numerically identify faint structures thanks to the cancelling of the Poisson noise. We find that the ratio of the bar pattern speed to the local circular frequency is in the range ΩB/Ω = 1.77 to 1.91. If the Galactic bar angle orientation is within the range from 24 to 45 degrees, the bar pattern speed is between 46 and 49 km s-1 kpc-1.

Coupled double-distribution-function lattice Boltzmann method for the compressible Navier-Stokes equations.

Science.gov (United States)

Li, Q; He, Y L; Wang, Y; Tao, W Q

2007-11-01

A coupled double-distribution-function lattice Boltzmann method is developed for the compressible Navier-Stokes equations. Different from existing thermal lattice Boltzmann methods, this method can recover the compressible Navier-Stokes equations with a flexible specific-heat ratio and Prandtl number. In the method, a density distribution function based on a multispeed lattice is used to recover the compressible continuity and momentum equations, while the compressible energy equation is recovered by an energy distribution function. The energy distribution function is then coupled to the density distribution function via the thermal equation of state. In order to obtain an adjustable specific-heat ratio, a constant related to the specific-heat ratio is introduced into the equilibrium energy distribution function. Two different coupled double-distribution-function lattice Boltzmann models are also proposed in the paper. Numerical simulations are performed for the Riemann problem, the double-Mach-reflection problem, and the Couette flow with a range of specific-heat ratios and Prandtl numbers. The numerical results are found to be in excellent agreement with analytical and/or other solutions.

Analytical estimation of effective charges at saturation in Poisson-Boltzmann cell models

International Nuclear Information System (INIS)

Trizac, Emmanuel; Aubouy, Miguel; Bocquet, Lyderic

2003-01-01

We propose a simple approximation scheme for computing the effective charges of highly charged colloids (spherical or cylindrical with infinite length). Within non-linear Poisson-Boltzmann theory, we start from an expression for the effective charge in the infinite-dilution limit which is asymptotically valid for large salt concentrations; this result is then extended to finite colloidal concentration, approximating the salt partitioning effect which relates the salt content in the suspension to that of a dialysing reservoir. This leads to an analytical expression for the effective charge as a function of colloid volume fraction and salt concentration. These results compare favourably with the effective charges at saturation (i.e. in the limit of large bare charge) computed numerically following the standard prescription proposed by Alexander et al within the cell model

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

International Nuclear Information System (INIS)

Zabadal, Jorge; Borges, Volnei; Van der Laan, Flavio T.; Santos, Marcio G.

2015-01-01

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)

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-07-01

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

Application of group analysis to the spatially homogeneous and isotropic Boltzmann equation with source using its Fourier image

International Nuclear Information System (INIS)

Grigoriev, Yurii N; Meleshko, Sergey V; Suriyawichitseranee, Amornrat

2015-01-01

Group analysis of the spatially homogeneous and molecular energy dependent Boltzmann equations with source term is carried out. The Fourier transform of the Boltzmann equation with respect to the molecular velocity variable is considered. The correspondent determining equation of the admitted Lie group is reduced to a partial differential equation for the admitted source. The latter equation is analyzed by an algebraic method. A complete group classification of the Fourier transform of the Boltzmann equation with respect to a source function is given. The representation of invariant solutions and corresponding reduced equations for all obtained source functions are also presented. (paper)

Experimental investigation of the Boltzmann relation for a bi-Maxwellian distribution in inductively coupled plasmas

International Nuclear Information System (INIS)

Bang, Jin Young; Chung, Chin Wook

2009-01-01

In plasma, the Boltzmann relation is often used to connect the electron density to the plasma potential because it is not easy to calculate electric potentials on the basis of the Poisson equation due to the quasineutrality. From the Boltzmann relation, the electric potential can be simply obtained from the electron density or vice versa. However, the Boltzmann relation assumes that electrons are in thermal equilibrium and have a Maxwellian distribution, so it cannot be applied to non-Maxwellian distributions. In this paper, the Boltzmann relation for bi-Maxwellian distributions was newly derived from fluid equations and the comparison with the experimental results was given by measuring electron energy probability functions in an inductively coupled plasma. It was found that the spatial distribution of the electron density in bulk plasma is governed by the effective electron temperature, while that of the cold and hot electrons are governed by each electron temperature.

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

International Nuclear Information System (INIS)

Merk, B.

2004-03-01

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

A Boltzmann equation approach to the damping of giant resonances in nuclei

International Nuclear Information System (INIS)

Schuck, P.; Winter, J.

1983-01-01

The Vlasov equation plus collision term (Boltzmann equation) represents an appropriate frame for the treatment of giant resonances (zero sound modes) in nuclei. With no adjustable parameters we obtain correct positions and widths for the giant quadrupole resonances. (author)

MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations

OpenAIRE

Vergara-Perez, Sandra; Marucho, Marcelo

2015-01-01

One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, de...

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

KAUST Repository

Allen, Rebecca

2013-01-01

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

Normal solutions of the Boltzmann equation with small Knudsen number

International Nuclear Information System (INIS)

Ding, E.J.; Huang, Z.Q.

1986-01-01

A singular perturbation method is used to find the normal solutions of the Boltzmann equation with small Knudsen number. It is proved that the secular terms may be removed by improving the Hilbert expansion and the Enskog expansion

Robust iterative observer for source localization for Poisson equation

KAUST Repository

Majeed, Muhammad Usman

2017-01-05

Source localization problem for Poisson equation with available noisy boundary data is well known to be highly sensitive to noise. The problem is ill posed and lacks to fulfill Hadamards stability criteria for well posedness. In this work, first a robust iterative observer is presented for boundary estimation problem for Laplace equation, and then this algorithm along with the available noisy boundary data from the Poisson problem is used to localize point sources inside a rectangular domain. The algorithm is inspired from Kalman filter design, however one of the space variables is used as time-like. Numerical implementation along with simulation results is detailed towards the end.

Robust iterative observer for source localization for Poisson equation

KAUST Repository

Majeed, Muhammad Usman; Laleg-Kirati, Taous-Meriem

2017-01-01

Source localization problem for Poisson equation with available noisy boundary data is well known to be highly sensitive to noise. The problem is ill posed and lacks to fulfill Hadamards stability criteria for well posedness. In this work, first a robust iterative observer is presented for boundary estimation problem for Laplace equation, and then this algorithm along with the available noisy boundary data from the Poisson problem is used to localize point sources inside a rectangular domain. The algorithm is inspired from Kalman filter design, however one of the space variables is used as time-like. Numerical implementation along with simulation results is detailed towards the end.

Exact solutions for some discrete models of the Boltzmann equation

International Nuclear Information System (INIS)

Cabannes, H.; Hong Tiem, D.

1987-01-01

For the simplest of the discrete models of the Boltzmann equation: the Broadwell model, exact solutions have been obtained by Cornille in the form of bisolitons. In the present Note, we build exact solutions for more complex models [fr

A lattice based solution of the collisional Boltzmann equation with applications to microchannel flows

International Nuclear Information System (INIS)

Green, B I; Vedula, Prakash

2013-01-01

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)

Temperature waves and the Boltzmann kinetic equation for phonons

International Nuclear Information System (INIS)

Urushev, D.; Borisov, M.; Vavrek, A.

1988-01-01

The ordinary parabolic equation for thermal conduction based on the Fourier empiric law as well as the generalized thermal conduction equation based on the Maxwell law have been derived from the Boltzmann equation for the phonons within the relaxation time approximation. The temperature waves of the so-called second sound in crystals at low temperatures are transformed into Fourier waves at low frequencies with respect to the characteristic frequency of the U-processes. These waves are transformed into temperature waves similar to the second sound waves in He II at frequences higher than the U-processes characteristic. 1 fig., 19 refs

A lattice Boltzmann model with an amending function for simulating nonlinear partial differential equations

International Nuclear Information System (INIS)

Lin-Jie, Chen; Chang-Feng, Ma

2010-01-01

This paper proposes a lattice Boltzmann model with an amending function for one-dimensional nonlinear partial differential equations (NPDEs) in the form u t + αuu x + βu n u x + γu xx + δu xxx + ζu xxxx = 0. This model is different from existing models because it lets the time step be equivalent to the square of the space step and derives higher accuracy and nonlinear terms in NPDEs. With the Chapman–Enskog expansion, the governing evolution equation is recovered correctly from the continuous Boltzmann equation. The numerical results agree well with the analytical solutions. (general)

On the Boltzmann Equation of Thermal Transport for Interacting Phonons and Electrons

Directory of Open Access Journals (Sweden)

Amelia Carolina Sparavigna

2016-05-01

Full Text Available The thermal transport in a solid can be determined by means of the Boltzmann equations regarding its distributions of phonons and electrons, when the solid is subjected to a thermal gradient. After solving the coupled equations, the related thermal conductivities can be obtained. Here we show how to determine the coupled equations for phonons and electrons.

Solution of spatially homogeneous model Boltzmann equations by means of Lie groups of transformations

International Nuclear Information System (INIS)

Foroutan, A.

1992-05-01

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)

Diffusion equations and hard collisions in multiple scattering of charged particles

International Nuclear Information System (INIS)

Papiez, Lech; Tulovsky, Vladimir

1998-01-01

The processes of angular-spatial evolution of multiple scattering of charged particles are described by the Lewis (special case of Boltzmann) integro-differential equation. The underlying stochastic process for this evolution is the compound Poisson process with transition densities satisfying the Lewis equation. In this paper we derive the Lewis equation from the compound Poisson process and show that the effective method of the solution of this equation can be based on the idea of decomposition of the compound Poisson process into processes of soft and hard collisions. Formulas for transition densities of soft and hard collision processes are provided in this paper together with the formula expressing the general solution of the Lewis equation in terms of those transition densities

Diffusion equations and hard collisions in multiple scattering of charged particles

Energy Technology Data Exchange (ETDEWEB)

Papiez, Lech [Department of Radiation Oncology, Indiana University, Indianapolis, IN (United States); Tulovsky, Vladimir [Department of Mathematics, St. John' s College, Staten Island, New York, NY (United States)

1998-09-01

The processes of angular-spatial evolution of multiple scattering of charged particles are described by the Lewis (special case of Boltzmann) integro-differential equation. The underlying stochastic process for this evolution is the compound Poisson process with transition densities satisfying the Lewis equation. In this paper we derive the Lewis equation from the compound Poisson process and show that the effective method of the solution of this equation can be based on the idea of decomposition of the compound Poisson process into processes of soft and hard collisions. Formulas for transition densities of soft and hard collision processes are provided in this paper together with the formula expressing the general solution of the Lewis equation in terms of those transition densities.

An Eulerian description of the streaming process in the lattice Boltzmann equation

CERN Document Server

Lee Tae Hun

2003-01-01

This paper presents a novel strategy for solving discrete Boltzmann equation (DBE) for simulation of fluid flows. This strategy splits the solution procedure into streaming and collision steps as in the lattice Boltzmann equation (LBE) method. The streaming step can then be carried out by solving pure linear advection equations in an Eulerian framework. This offers two significant advantages over previous methods. First, the relationship between the relaxation parameter and the discretization of the collision term developed from the LBE method is directly applicable to the DBE method. The resulting DBE collision step remains local and poses no constraint on time step. Second, decoupling of the advection step from the collision step facilitates implicit discretization of the advection equation on arbitrary meshes. An implicit unstructured DBE method is constructed based on this strategy and is evaluated using several test cases of flow over a backward-facing step, lid-driven cavity flow, and flow past a circul...

Poisson's theorem and integrals of KdV equation

International Nuclear Information System (INIS)

Tasso, H.

1978-01-01

Using Poisson's theorem it is proved that if F = integral sub(-infinity)sup(+infinity) T(u,usub(x),...usub(n,t))dx is an invariant functional of KdV equation, then integral sub(-infinity)sup(+infinity) delta F/delta u dx integral sub(-infinity)sup(+infinity) delta T/delta u dx is also an invariant functional. In the case of a polynomial T, one finds in a simple way the known recursion ΔTr/Δu = Tsub(r-1). This note gives an example of the usefulness of Poisson's theorem. (author)

Poisson's equation in de Sitter space-time

Energy Technology Data Exchange (ETDEWEB)

Pessa, E [Rome Univ. (Italy). Ist. di Matematica

1980-11-01

Based on a suitable generalization of Poisson's equation for de Sitter space-time the form of gravitation's law in 'projective relativity' is examined; it is found that, in the interior case, a small difference with the customary Newtonian law arises. This difference, of a repulsive character, can be very important in cosmological problems.

Hamiltonian field description of the one-dimensional Poisson-Vlasov equations

International Nuclear Information System (INIS)

Morrison, P.J.

1981-07-01

The one-dimensional Poisson-Vlasov equations are cast into Hamiltonian form. A Poisson Bracket in terms of the phase space density, as sole dynamical variable, is presented. This Poisson bracket is not of the usual form, but possesses the commutator properties of antisymmetry, bilinearity, and nonassociativity by virtue of the Jacobi requirement. Clebsch potentials are seen to yield a conventional (canonical) formulation. This formulation is discretized by expansion in terms of an arbitrary complete set of basis functions. In particular, a wave field representation is obtained

Stability of the trivial solution for linear stochastic differential equations with Poisson white noise

International Nuclear Information System (INIS)

Grigoriu, Mircea; Samorodnitsky, Gennady

2004-01-01

Two methods are considered for assessing the asymptotic stability of the trivial solution of linear stochastic differential equations driven by Poisson white noise, interpreted as the formal derivative of a compound Poisson process. The first method attempts to extend a result for diffusion processes satisfying linear stochastic differential equations to the case of linear equations with Poisson white noise. The developments for the method are based on Ito's formula for semimartingales and Lyapunov exponents. The second method is based on a geometric ergodic theorem for Markov chains providing a criterion for the asymptotic stability of the solution of linear stochastic differential equations with Poisson white noise. Two examples are presented to illustrate the use and evaluate the potential of the two methods. The examples demonstrate limitations of the first method and the generality of the second method

The Integral Equation Method and the Neumann Problem for the Poisson Equation on NTA Domains

Czech Academy of Sciences Publication Activity Database

Medková, Dagmar

2009-01-01

Roč. 63, č. 21 (2009), s. 227-247 ISSN 0378-620X Institutional research plan: CEZ:AV0Z10190503 Keywords : Poisson equation * Neumann problem * integral equation method Subject RIV: BA - General Mathematics Impact factor: 0.477, year: 2009

The C{sub n} method for approximation of the Boltzmann equation; La methode C{sub n} d'approximation de l'equation de Boltzmann

Energy Technology Data Exchange (ETDEWEB)

Benoist, P; Kavenoky, A [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1968-01-15

In a new method of approximation of the Boltzmann equation, one starts from a particular form of the equation which involves only the angular flux at the boundary of the considered medium and where the space variable does not appear explicitly. Expanding in orthogonal polynomials the angular flux of neutrons leaking from the medium and making no assumption about the angular flux within the medium, very good approximations to several classical plane geometry problems, i.e. the albedo of slabs and the transmission by slabs, the extrapolation length of the Milne problem, the spectrum of neutrons reflected by a semi-infinite slowing down medium. The method can be extended to other geometries. (authors) [French] On etablit une nouvelle methode d'approximation pour l'equation de Boltzmann en partant d'une forme particuliere de cette equation qui n'implique que le flux angulaire a la frontiere du milieu et ou les variables d'espace n'apparaissent pas explicitement. Par un developpement en polynomes orthogonaux du flux angulaire sortant du milieu et sans faire d'hypothese sur le flux angulaire a l'interieur du milieu, on obtient de tres bonnes approximations pour plusieurs problemes classiques en geometrie plane: l'albedo et le facteur de transmission des plaques, la longueur d'extrapolation du probleme de Milne, le spectre des neutrons reflechis par un milieu semi-infini ralentisseur. La methode se generalise a d'autres geometries. (auteurs)

An efficient numerical method for solving the Boltzmann equation in multidimensions

Science.gov (United States)

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

2018-01-01

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

Generalized master equations for non-Poisson dynamics on networks.

Science.gov (United States)

Hoffmann, Till; Porter, Mason A; Lambiotte, Renaud

2012-10-01

The traditional way of studying temporal networks is to aggregate the dynamics of the edges to create a static weighted network. This implicitly assumes that the edges are governed by Poisson processes, which is not typically the case in empirical temporal networks. Accordingly, we examine the effects of non-Poisson inter-event statistics on the dynamics of edges, and we apply the concept of a generalized master equation to the study of continuous-time random walks on networks. We show that this equation reduces to the standard rate equations when the underlying process is Poissonian and that its stationary solution is determined by an effective transition matrix whose leading eigenvector is easy to calculate. We conduct numerical simulations and also derive analytical results for the stationary solution under the assumption that all edges have the same waiting-time distribution. We discuss the implications of our work for dynamical processes on temporal networks and for the construction of network diagnostics that take into account their nontrivial stochastic nature.

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

International Nuclear Information System (INIS)

Schofield, S.L.

1988-01-01

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

An introduction to the Boltzmann equation and transport processes in gases

CERN Document Server

Kremer, Gilberto M; Colton, David

2010-01-01

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

High-Order Finite-Difference Solution of the Poisson Equation Involving Complex Geometries in Embedded Meshes

Science.gov (United States)

Marques, Alexandre; Nave, Jean-Christophe; Rosales, Ruben

2011-11-01

The Poisson equation is of central importance in the description of fluid flows and other physical phenomena. In prior work, Marques, Nave, and Rosales introduced the Correction Function Method (CFM) to obtain fourth-order accurate solutions for the constant coefficient Poisson problem with prescribed jump conditions for the solution and its normal derivative across arbitrary interfaces. Here we combine this method with the ideas introduced by Mayo to solve other Poisson problems involving complex geometries. In summary, we are able to rewrite the problem as a boundary integral equation in terms of a potential distribution over the boundary or interface. The solution of this integral equation is discontinuous across the boundary or interface. Hence, after this integral equation is solved using standard techniques, the potential distribution can be used to determine the jump discontinuities. We are then able to use the CFM to solve the resulting Poisson equation with jump discontinuities. The outcome is a fourth-order accurate scheme to solve general Poisson problems which, over arbitrary geometries, has a cost that is approximately twice that of a fast Poisson solver using FFT on a rectangular geometry of the same size. Details of the method and applications will be presented.

Poisson equation in the Kohn-Sham Coulomb problem

OpenAIRE

Manby, F. R.; Knowles, Peter James

2001-01-01

We apply the Poisson equation to the quantum mechanical Coulomb problem for many-particle systems. By introducing a suitable basis set, the two-electron Coulomb integrals become simple overlaps. This offers the possibility of very rapid linear-scaling treatment of the Coulomb contribution to Kohn-Sham theory.

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

International Nuclear Information System (INIS)

Zanette, D.

1990-09-01

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

Electro-osmosis of non-Newtonian fluids in porous media using lattice Poisson-Boltzmann method.

Science.gov (United States)

Chen, Simeng; He, Xinting; Bertola, Volfango; Wang, Moran

2014-12-15

Electro-osmosis in porous media has many important applications in various areas such as oil and gas exploitation and biomedical detection. Very often, fluids relevant to these applications are non-Newtonian because of the shear-rate dependent viscosity. The purpose of this study was to investigate the behaviors and physical mechanism of electro-osmosis of non-Newtonian fluids in porous media. Model porous microstructures (granular, fibrous, and network) were created by a random generation-growth method. The nonlinear governing equations of electro-kinetic transport for a power-law fluid were solved by the lattice Poisson-Boltzmann method (LPBM). The model results indicate that: (i) the electro-osmosis of non-Newtonian fluids exhibits distinct nonlinear behaviors compared to that of Newtonian fluids; (ii) when the bulk ion concentration or zeta potential is high enough, shear-thinning fluids exhibit higher electro-osmotic permeability, while shear-thickening fluids lead to the higher electro-osmotic permeability for very low bulk ion concentration or zeta potential; (iii) the effect of the porous medium structure depends significantly on the constitutive parameters: for fluids with large constitutive coefficients strongly dependent on the power-law index, the network structure shows the highest electro-osmotic permeability while the granular structure exhibits the lowest permeability on the entire range of power law indices considered; when the dependence of the constitutive coefficient on the power law index is weaker, different behaviors can be observed especially in case of strong shear thinning. Copyright © 2014 Elsevier Inc. All rights reserved.

A System of Poisson Equations for a Nonconstant Varadhan Functional on a Finite State Space

International Nuclear Information System (INIS)

Cavazos-Cadena, Rolando; Hernandez-Hernandez, Daniel

2006-01-01

Given a discrete-time Markov chain with finite state space and a stationary transition matrix, a system of 'local' Poisson equations characterizing the (exponential) Varadhan's functional J(.) is given. The main results, which are derived for an arbitrary transition structure so that J(.) may be nonconstant, are as follows: (i) Any solution to the local Poisson equations immediately renders Varadhan's functional, and (ii) a solution of the system always exist. The proof of this latter result is constructive and suggests a method to solve the local Poisson equations

The polaron problem and the Boltzmann equation

International Nuclear Information System (INIS)

Devreese, J.

1979-01-01

A mobility theory for the Feynman polaron is developed. It is shown that the Boltzmann equation for polarons is valid for weak coupling and not too high electric fields. The analytical results indicate that for E → 0 the relaxation time approximation is valid. A comparison is made of three methods to calculate the mobility in a linear electron transport theory. An approximation to the Kubo formula, a mobility calculation using path integrals by Feynman and a calculation based on the displaced Maxwell distribution function are considered. The three methods lead to equivalent results in the weak scattering and small electric field limit

A modified Poisson-Boltmann model including charge regulation for the adsorption of ionizable polyelectrolytes to charged interfaces, applied to lysozyme adsorption on silica

NARCIS (Netherlands)

Biesheuvel, P.M.; Veen, van der M.; Norde, W.

2005-01-01

The equilibrium adsorption of polyelectrolytes with multiple types of ionizable groups is described using a modified Poisson-Boltzmann equation including charge regulation of both the polymer and the interface. A one-dimensional mean-field model is used in which the electrostatic potential is

Modifying Poisson equation for near-solute dielectric polarization and solvation free energy

Energy Technology Data Exchange (ETDEWEB)

Yang, Pei-Kun, E-mail: peikun@isu.edu.tw

2016-06-15

Highlights: • We modify the Poisson equation. • The dielectric polarization was calculated from the modified Poisson equation. • The solvation free energies of the solutes were calculated from the dielectric polarization. • The calculated solvation free energies were similar to those obtained from MD simulations. - Abstract: The dielectric polarization P is important for calculating the stability of protein conformation and the binding affinity of protein–protein/ligand interactions and for exploring the nonthermal effect of an external electric field on biomolecules. P was decomposed into the product of the electric dipole moment per molecule p; bulk solvent density N{sub bulk}; and relative solvent molecular density g. For a molecular solute, 4πr{sup 2}p(r) oscillates with the distance r to the solute, and g(r) has a large peak in the near-solute region, as observed in molecular dynamics (MD) simulations. Herein, the Poisson equation was modified for computing p based on the modified Gauss’s law of Maxwell’s equations, and the potential of the mean force was used for computing g. For one or two charged atoms in a water cluster, the solvation free energies of the solutes obtained by these equations were similar to those obtained from MD simulations.

Global Well-Posedness of the Boltzmann Equation with Large Amplitude Initial Data

Science.gov (United States)

Duan, Renjun; Huang, Feimin; Wang, Yong; Yang, Tong

2017-07-01

The global well-posedness of the Boltzmann equation with initial data of large amplitude has remained a long-standing open problem. In this paper, by developing a new {L^∞_xL^1v\\cap L^∞_{x,v}} approach, we prove the global existence and uniqueness of mild solutions to the Boltzmann equation in the whole space or torus for a class of initial data with bounded velocity-weighted {L^∞} norm under some smallness condition on the {L^1_xL^∞_v} norm as well as defect mass, energy and entropy so that the initial data allow large amplitude oscillations. Both the hard and soft potentials with angular cut-off are considered, and the large time behavior of solutions in the {L^∞_{x,v}} norm with explicit rates of convergence are also studied.

A high order solver for the unbounded Poisson equation

DEFF Research Database (Denmark)

Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe

2012-01-01

This work improves upon Hockney and Eastwood's Fourier-based algorithm for the unbounded Poisson equation to formally achieve arbitrary high order of convergence without any additional computational cost. We assess the methodology on the kinematic relations between the velocity and vorticity fields....

Application of Boltzmann equation to electron transmission and seconary electron emission

International Nuclear Information System (INIS)

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

1979-01-01

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

A lattice Boltzmann model for the Burgers-Fisher equation.

Science.gov (United States)

Zhang, Jianying; Yan, Guangwu

2010-06-01

A lattice Boltzmann model is developed for the one- and two-dimensional Burgers-Fisher equation based on the method of the higher-order moment of equilibrium distribution functions and a series of partial differential equations in different time scales. In order to obtain the two-dimensional Burgers-Fisher equation, vector sigma(j) has been used. And in order to overcome the drawbacks of "error rebound," a new assumption of additional distribution is presented, where two additional terms, in first order and second order separately, are used. Comparisons with the results obtained by other methods reveal that the numerical solutions obtained by the proposed method converge to exact solutions. The model under new assumption gives better results than that with second order assumption. (c) 2010 American Institute of Physics.

Extending the Solvation-Layer Interface Condition Continum Electrostatic Model to a Linearized Poisson-Boltzmann Solvent.

Science.gov (United States)

Molavi Tabrizi, Amirhossein; Goossens, Spencer; Mehdizadeh Rahimi, Ali; Cooper, Christopher D; Knepley, Matthew G; Bardhan, Jaydeep P

2017-06-13

We extend the linearized Poisson-Boltzmann (LPB) continuum electrostatic model for molecular solvation to address charge-hydration asymmetry. Our new solvation-layer interface condition (SLIC)/LPB corrects for first-shell response by perturbing the traditional continuum-theory interface conditions at the protein-solvent and the Stern-layer interfaces. We also present a GPU-accelerated treecode implementation capable of simulating large proteins, and our results demonstrate that the new model exhibits significant accuracy improvements over traditional LPB models, while reducing the number of fitting parameters from dozens (atomic radii) to just five parameters, which have physical meanings related to first-shell water behavior at an uncharged interface. In particular, atom radii in the SLIC model are not optimized but uniformly scaled from their Lennard-Jones radii. Compared to explicit-solvent free-energy calculations of individual atoms in small molecules, SLIC/LPB is significantly more accurate than standard parametrizations (RMS error 0.55 kcal/mol for SLIC, compared to RMS error of 3.05 kcal/mol for standard LPB). On parametrizing the electrostatic model with a simple nonpolar component for total molecular solvation free energies, our model predicts octanol/water transfer free energies with an RMS error 1.07 kcal/mol. A more detailed assessment illustrates that standard continuum electrostatic models reproduce total charging free energies via a compensation of significant errors in atomic self-energies; this finding offers a window into improving the accuracy of Generalized-Born theories and other coarse-grained models. Most remarkably, the SLIC model also reproduces positive charging free energies for atoms in hydrophobic groups, whereas standard PB models are unable to generate positive charging free energies regardless of the parametrized radii. The GPU-accelerated solver is freely available online, as is a MATLAB implementation.

Coefficient Inverse Problem for Poisson's Equation in a Cylinder

NARCIS (Netherlands)

Solov'ev, V. V.

2011-01-01

The inverse problem of determining the coefficient on the right-hand side of Poisson's equation in a cylindrical domain is considered. The Dirichlet boundary value problem is studied. Two types of additional information (overdetermination) can be specified: (i) the trace of the solution to the

Nonlinear stationary solutions of the Wigner and Wigner-Poisson equations

OpenAIRE

Haas, F.; Shukla, P. K.

2008-01-01

Exact nonlinear stationary solutions of the one-dimensional Wigner and Wigner-Poisson equations in the terms of the Wigner functions that depend not only on the energy but also on position are presented. In this way, the Bernstein-Greene-Kruskal modes of the classical plasma are adapted for the quantum formalism in the phase space. The solutions are constructed for the case of a quartic oscillator potential, as well as for the self-consistent Wigner-Poisson case. Conditions for well-behaved p...

Poisson structure of the equations of ideal multispecies fluid electrodynamics

International Nuclear Information System (INIS)

Spencer, R.G.

1984-01-01

The equations of the two- (or multi-) fluid model of plasma physics are recast in Hamiltonian form, following general methods of symplectic geometry. The dynamical variables are the fields of physical interest, but are noncanonical, so that the Poisson bracket in the theory is not the standard one. However, it is a skew-symmetric bilinear form which, from the method of derivation, automatically satisfies the Jacobi identity; therefore, this noncanonical structure has all the essential properties of a canonical Poisson bracket

Equal-Time and Equal-Space Poisson Brackets of the N -Component Coupled NLS Equation

International Nuclear Information System (INIS)

Zhou Ru-Guang; Li Pei-Yao; Gao Yuan

2017-01-01

Two Poisson brackets for the N-component coupled nonlinear Schrödinger (NLS) equation are derived by using the variantional principle. The first one is called the equal-time Poisson bracket which does not depend on time but only on the space variable. Actually it is just the usual one describing the time evolution of system in the traditional theory of integrable Hamiltonian systems. The second one is equal-space and new. It is shown that the spatial part of Lax pair with respect to the equal-time Poisson bracket and temporal part of Lax pair with respect to the equal-space Poisson bracket share the same r-matrix formulation. These properties are similar to that of the NLS equation. (paper)

A one-level FETI method for the drift–diffusion-Poisson system with discontinuities at an interface

KAUST Repository

Baumgartner, Stefan

2013-06-01

A 3d feti method for the drift-diffusion-Poisson system including discontinuities at a 2d interface is developed. The motivation for this work is to provide a parallel numerical algorithm for a system of PDEs that are the basic model equations for the simulation of semiconductor devices such as transistors and sensors. Moreover, discontinuities or jumps in the potential and its normal derivative at a 2d surface are included for the simulation of nanowire sensors based on a homogenized model. Using the feti method, these jump conditions can be included with the usual numerical properties and the original Farhat-Roux feti method is extended to the drift-diffusion-Poisson equations including discontinuities. We show two numerical examples. The first example verifies the correct implementation including the discontinuities on a 2d grid divided into eight subdomains. The second example is 3d and shows the application of the algorithm to the simulation of nanowire sensors with high aspect ratios. The Poisson-Boltzmann equation and the drift-diffusion-Poisson system with jump conditions are solved on a 3d grid with real-world boundary conditions. © 2013 Elsevier Inc..

Cellular solutions for the Poisson equation in extended systems

International Nuclear Information System (INIS)

Zhang, X.; Butler, W.H.; MacLaren, J.M.; van Ek, J.

1994-01-01

The Poisson equation for the electrostatic potential in a solid is solved using three different cellular techniques. The relative merits of these different approaches are discussed for two test charge densities for which an analytic solution to the Poisson equation is known. The first approach uses full-cell multiple-scattering theory and results in the famililar structure constant and multipole moment expansion. This solution is shown to be valid everywhere inside the cell, although for points outside the muffin-tin sphere but inside the cell the sums must be performed in the correct order to yield meaningful results. A modification of the multiple-scattering-theory approach yields a second method, a Green-function cellular method, which only requires the solution of a nearest-neighbor linear system of equations. A third approach, a related variational cellular method, is also derived. The variational cellular approach is shown to be the most accurate and reliable, and to have the best convergence in angular momentum of the three methods. Coulomb energies accurate to within 10 -6 hartree are easily achieved with the variational cellular approach, demonstrating the practicality of the approach in electronic structure calculations

Charge reversal and surface charge amplification in asymmetric valence restricted primitive model planar electric double layers in the modified Poisson-Boltzmann theory

Directory of Open Access Journals (Sweden)

L.B. Bhuiyan

2017-12-01

Full Text Available The modified Poisson-Boltzmann theory of the restricted primitive model double layer is revisited and recast in a fresh, slightly broader perspective. Derivation of relevant equations follow the techniques utilized in the earlier MPB4 and MPB5 formulations and clarifies the relationship between these. The MPB4, MPB5, and a new formulation of the theory are employed in an analysis of the structure and charge reversal phenomenon in asymmetric 2:1/1:2 valence electrolytes. Furthermore, polarization induced surface charge amplification is studied in 3:1/1:3 systems. The results are compared to the corresponding Monte Carlo simulations. The theories are seen to predict the "exact" simulation data to varying degrees of accuracy ranging from qualitative to almost quantitative. The results from a new version of the theory are found to be of comparable accuracy as the MPB5 results in many situations. However, in some cases involving low electrolyte concentrations, theoretical artifacts in the form of un-physical "shoulders" in the singlet ionic distribution functions are observed.

Hydrodynamic Limit with Geometric Correction of Stationary Boltzmann Equation

OpenAIRE

Wu, Lei

2014-01-01

We consider the hydrodynamic limit of a stationary Boltzmann equation in a unit plate with in-flow boundary. We prove the solution can be approximated in $L^{\\infty}$ by the sum of interior solution which satisfies steady incompressible Navier-Stokes-Fourier system, and boundary layer with geometric correction. Also, we construct a counterexample to the classical theory which states the behavior of solution near boundary can be described by the Knudsen layer derived from the Milne problem.

A unified gas-kinetic scheme for continuum and rarefied flows IV: Full Boltzmann and model equations

Energy Technology Data Exchange (ETDEWEB)

Liu, Chang, E-mail: cliuaa@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Xu, Kun, E-mail: makxu@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Sun, Quanhua, E-mail: qsun@imech.ac.cn [State Key Laboratory of High-temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences, No. 15 Beisihuan Xi Rd, Beijing 100190 (China); Cai, Qingdong, E-mail: caiqd@mech.pku.edu.cn [Department of Mechanics and Aerospace Engineering, College of Engineering, Peking University, Beijing 100871 (China)

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

MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations.

Science.gov (United States)

Vergara-Perez, Sandra; Marucho, Marcelo

2016-01-01

One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article we present MPBEC, a free, cross-platform, open-source software that provides non-experts in the field an easy and efficient way to perform biomolecular electrostatic calculations on single processor computers. MPBEC is a Matlab script based on the Adaptative Poisson Boltzmann Solver, one of the most popular approaches used to solve the PB equation. MPBEC does not require any user programming, text editing or extensive statistical skills, and comes with detailed user-guide documentation. As a unique feature, MPBEC includes a useful graphical user interface (GUI) application which helps and guides users to configure and setup the optimal parameters and approximations to successfully perform the required biomolecular electrostatic calculations. The GUI also incorporates visualization tools to facilitate users pre- and post- analysis of structural and electrical properties of biomolecules.

MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations

Science.gov (United States)

Vergara-Perez, Sandra; Marucho, Marcelo

2016-01-01

One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article we present MPBEC, a free, cross-platform, open-source software that provides non-experts in the field an easy and efficient way to perform biomolecular electrostatic calculations on single processor computers. MPBEC is a Matlab script based on the Adaptative Poisson-Boltzmann Solver, one of the most popular approaches used to solve the PB equation. MPBEC does not require any user programming, text editing or extensive statistical skills, and comes with detailed user-guide documentation. As a unique feature, MPBEC includes a useful graphical user interface (GUI) application which helps and guides users to configure and setup the optimal parameters and approximations to successfully perform the required biomolecular electrostatic calculations. The GUI also incorporates visualization tools to facilitate users pre- and post-analysis of structural and electrical properties of biomolecules.

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

DEFF Research Database (Denmark)

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

1999-01-01

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

Nonlinear stationary solutions of the Wigner and Wigner-Poisson equations

International Nuclear Information System (INIS)

Haas, F.; Shukla, P. K.

2008-01-01

Exact nonlinear stationary solutions of the one-dimensional Wigner and Wigner-Poisson equations in the terms of the Wigner functions that depend not only on the energy but also on position are presented. In this way, the Bernstein-Greene-Kruskal modes of the classical plasma are adapted for the quantum formalism in the phase space. The solutions are constructed for the case of a quartic oscillator potential, as well as for the self-consistent Wigner-Poisson case. Conditions for well-behaved physically meaningful equilibrium Wigner functions are discussed.

Appearance of eigen modes for the linearized Vlasov-Poisson equation

International Nuclear Information System (INIS)

Degond, P.

1983-01-01

In order to determine the asymptotic behaviour, when the time goes to infinity, of the solution of the linearized Vlasov-Poisson equation, we use eigen modes, associated to continuous linear functionals on a Banach space of analytic functions [fr

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

KAUST Repository

Allen, Rebecca; Reis, Tim; Sun, Shuyu

2013-01-01

-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

Application of the Poisson-Nernst-Planck equations to the migration test

DEFF Research Database (Denmark)

Krabbenhøft, Kristian; Krabbenhøft, Jørgen

2008-01-01

The Poisson-Nernst-Planck (PNP) equations are applied to model the migration test. A detailed analysis of the equations is presented and the effects of a number of common, simplifying assumptions are quantified. In addition, closed-form solutions for the effective chloride diffusivity based...... on the full PNP equations are derived, a number of experiments are analyzed in detail, and a new, truly accelerated migration test is proposed. Finally, we present a finite element procedure for numerical solution of the PNP equations....

The Poisson equation at second order in relativistic cosmology

International Nuclear Information System (INIS)

Hidalgo, J.C.; Christopherson, Adam J.; Malik, Karim A.

2013-01-01

We calculate the relativistic constraint equation which relates the curvature perturbation to the matter density contrast at second order in cosmological perturbation theory. This relativistic ''second order Poisson equation'' is presented in a gauge where the hydrodynamical inhomogeneities coincide with their Newtonian counterparts exactly for a perfect fluid with constant equation of state. We use this constraint to introduce primordial non-Gaussianity in the density contrast in the framework of General Relativity. We then derive expressions that can be used as the initial conditions of N-body codes for structure formation which probe the observable signature of primordial non-Gaussianity in the statistics of the evolved matter density field

Steady state solution of the Poisson-Nernst-Planck equations

International Nuclear Information System (INIS)

Golovnev, A.; Trimper, S.

2010-01-01

The exact steady state solution of the Poisson-Nernst-Planck equations (PNP) is given in terms of Jacobi elliptic functions. A more tractable approximate solution is derived which can be used to compare the results with experimental observations in binary electrolytes. The breakdown of the PNP for high concentration and high applied voltage is discussed.

A multiresolution method for solving the Poisson equation using high order regularization

DEFF Research Database (Denmark)

Hejlesen, Mads Mølholm; Walther, Jens Honore

2016-01-01

We present a novel high order multiresolution Poisson solver based on regularized Green's function solutions to obtain exact free-space boundary conditions while using fast Fourier transforms for computational efficiency. Multiresolution is a achieved through local refinement patches and regulari......We present a novel high order multiresolution Poisson solver based on regularized Green's function solutions to obtain exact free-space boundary conditions while using fast Fourier transforms for computational efficiency. Multiresolution is a achieved through local refinement patches...... and regularized Green's functions corresponding to the difference in the spatial resolution between the patches. The full solution is obtained utilizing the linearity of the Poisson equation enabling super-position of solutions. We show that the multiresolution Poisson solver produces convergence rates...

Electron kinetics with attachment and ionization from higher order solutions of Boltzmann's equation

International Nuclear Information System (INIS)

Winkler, R.; Wilhelm, J.; Braglia, G.L.

1989-01-01

An appropriate approach is presented for solving the Boltzmann equation for electron swarms and nonstationary weakly ionized plasmas in the hydrodynamic stage, including ionization and attachment processes. Using a Legendre-polynomial expansion of the electron velocity distribution function the resulting eigenvalue problem has been solved at any even truncation-order. The technique has been used to study velocity distribution, mean collision frequencies, energy transfer rates, nonstationary behaviour and power balance in hydrodynamic stage, of electrons in a model plasma and a plasma of pure SF 6 . The calculations have been performed for increasing approximation-orders, up to the converged solution of the problem. In particular, the transition from dominant attachment to prevailing ionization when increasing the field strength has been studied. Finally the establishment of the hydrodynamic stage for a selected case in the model plasma has been investigated by solving the nonstationary, spatially homogeneous Boltzmann equation in twoterm approximation. (author)

Information Geometry Formalism for the Spatially Homogeneous Boltzmann Equation

Directory of Open Access Journals (Sweden)

Bertrand Lods

2015-06-01

Full Text Available Information Geometry generalizes to infinite dimension by modeling the tangent space of the relevant manifold of probability densities with exponential Orlicz spaces. We review here several properties of the exponential manifold on a suitable set Ɛ of mutually absolutely continuous densities. We study in particular the fine properties of the Kullback-Liebler divergence in this context. We also show that this setting is well-suited for the study of the spatially homogeneous Boltzmann equation if Ɛ is a set of positive densities with finite relative entropy with respect to the Maxwell density. More precisely, we analyze the Boltzmann operator in the geometric setting from the point of its Maxwell’s weak form as a composition of elementary operations in the exponential manifold, namely tensor product, conditioning, marginalization and we prove in a geometric way the basic facts, i.e., the H-theorem. We also illustrate the robustness of our method by discussing, besides the Kullback-Leibler divergence, also the property of Hyvärinen divergence. This requires us to generalize our approach to Orlicz–Sobolev spaces to include derivatives.

Controllability of nonlocal second-order impulsive neutral stochastic functional integro-differential equations with delay and Poisson jumps

Directory of Open Access Journals (Sweden)

Diem Dang Huan

2015-12-01

Full Text Available The current paper is concerned with the controllability of nonlocal second-order impulsive neutral stochastic functional integro-differential equations with infinite delay and Poisson jumps in Hilbert spaces. Using the theory of a strongly continuous cosine family of bounded linear operators, stochastic analysis theory and with the help of the Banach fixed point theorem, we derive a new set of sufficient conditions for the controllability of nonlocal second-order impulsive neutral stochastic functional integro-differential equations with infinite delay and Poisson jumps. Finally, an application to the stochastic nonlinear wave equation with infinite delay and Poisson jumps is given.

Stability analysis for neutral stochastic differential equation of second order driven by Poisson jumps

Science.gov (United States)

Chadha, Alka; Bora, Swaroop Nandan

2017-11-01

This paper studies the existence, uniqueness, and exponential stability in mean square for the mild solution of neutral second order stochastic partial differential equations with infinite delay and Poisson jumps. By utilizing the Banach fixed point theorem, first the existence and uniqueness of the mild solution of neutral second order stochastic differential equations is established. Then, the mean square exponential stability for the mild solution of the stochastic system with Poisson jumps is obtained with the help of an established integral inequality.

An Implicit Scheme of Lattice Boltzmann Method for Sine-Gordon Equation

International Nuclear Information System (INIS)

Hui-Lin, Lai; Chang-Feng, Ma

2008-01-01

We establish an implicit scheme of lattice Boltzmann method for simulating the sine-Gordon equation, which can be transformed into the explicit one, so the computation of the scheme is simple. Moreover, the parameter θ of the implicit scheme is independent of the relaxation time, which makes the model more flexible. The numerical results show that this method is very effective. (fundamental areas of phenomenology (including applications))

A stochastic model of multiple scattering of charged particles: process, transport equation and solutions

International Nuclear Information System (INIS)

Papiez, L.; Moskvin, V.; Tulovsky, V.

2001-01-01

The process of angular-spatial evolution of multiple scattering of charged particles can be described by a special case of Boltzmann integro-differential equation called Lewis equation. The underlying stochastic process for this evolution is the compound Poisson process on the surface of the unit sphere. The significant portion of events that constitute compound Poisson process that describes multiple scattering have diffusional character. This property allows to analyze the process of angular-spatial evolution of multiple scattering of charged particles as combination of soft and hard collision processes and compute appropriately its transition densities. These computations provide a method of the approximate solution to the Lewis equation. (orig.)

Solution of the non-stationary electron Boltzmann equation for a weakly ionized collision dominated plasma

International Nuclear Information System (INIS)

Winkler, R.; Wilhelm, J.

A detailed description is presented of calculating the nonstationary electron distribution function in a weakly ionized collision-dominated plasma from the Boltzmann kinetic equation respecting the effects of the time-dependent electric field, collision processes and the electron formation and loss. The finite difference approximation was used for numerical solution. Using the Crank-Nicolson method and parabolic interpolation between the grid points the Boltzmann equation was transformed to a system of linear equations which was then solved by iterations at a preset accuracy. Using the calculated distribution function values, the macroscopic plasma parameters were determined and the balance of electron density and energy checked in each time step. The mathematical procedure is illustrated using a neon plasma perturbed by a rectangular electric pulse. The time development shown of the distribution function at moments when the pulse was switched on and off demonstrates the great stability of the numerical solution. (J.U.)

Nonaligned shocks for discrete velocity models of the Boltzmann equation

Directory of Open Access Journals (Sweden)

J. M. Greenberg

1991-05-01

Full Text Available At the conclusion of I. Bonzani's presentation on the existence of structured shock solutions to the six-velocity, planar, discrete Boltzmann equation (with binary and triple collisions, Greenberg asked whether such solutions were possible in directions e(α=(cosα ,sinα when α was not one of the particle flow directions. This question generated a spirited discussion but the question was still open at the conclusion of the conference. In this note the author will provide a partial resolution to the question raised above. Using formal perturbation arguments he will produce approximate solutions to the equation considered by Bonzani which represent traveling waves propagating in any direction e(α=(cosα ,sinα.

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

Science.gov (United States)

Ayi, Nathalie

2017-03-01

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

APBSmem: a graphical interface for electrostatic calculations at the membrane.

Directory of Open Access Journals (Sweden)

Keith M Callenberg

2010-09-01

Full Text Available Electrostatic forces are one of the primary determinants of molecular interactions. They help guide the folding of proteins, increase the binding of one protein to another and facilitate protein-DNA and protein-ligand binding. A popular method for computing the electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB equation, and there are several easy-to-use software packages available that solve the PB equation for soluble proteins. Here we present a freely available program, called APBSmem, for carrying out these calculations in the presence of a membrane. The Adaptive Poisson-Boltzmann Solver (APBS is used as a back-end for solving the PB equation, and a Java-based graphical user interface (GUI coordinates a set of routines that introduce the influence of the membrane, determine its placement relative to the protein, and set the membrane potential. The software Jmol is embedded in the GUI to visualize the protein inserted in the membrane before the calculation and the electrostatic potential after completing the computation. We expect that the ease with which the GUI allows one to carry out these calculations will make this software a useful resource for experimenters and computational researchers alike. Three examples of membrane protein electrostatic calculations are carried out to illustrate how to use APBSmem and to highlight the different quantities of interest that can be calculated.

Intensity-interferometric test of nuclear collision geometries obtained from the Boltzmann-Uehling-Uhlenbeck equation

International Nuclear Information System (INIS)

Gong, W.G.; Bauer, W.; Gelbke, C.K.; Carlin, N.; de Souza, R.T.; Kim, Y.D.; Lynch, W.G.; Murakami, T.; Poggi, G.; Sanderson, D.P.; Tsang, M.B.; Xu, H.M.; Pratt, S.; Fields, D.E.; Kwiatkowski, K.; Planeta, R.; Viola, V.E. Jr.; Yennello, S.J.

1990-01-01

Two-proton correlation functions measured for the 14 N+ 27 Al reaction at E/A=75 MeV are compared to correlation functions predicted for collision geometries obtained from numerical solutions of the Boltzmann-Uehling-Uhlenbeck (BUU) equation. The calculations are in rather good agreement with the experimental correlation function, indicating that the BUU equation gives a reasonable description of the space-time evolution of the reaction

Lyapunov stability and poisson structure of the thermal TDHF and RPA equations

International Nuclear Information System (INIS)

Balian, R.; Veneroni, M.

1989-01-01

The thermal TDHF equation is analyzed in the Liouville representation of quantum mechanics, where the matrix elements of the single-particle (s.p) density ρ behave as classical dynamical variables. By introducing the Lie--Poisson bracket associated with the unitary group of the s.p. Hilbert space, we show that TDHF has a Hamiltonian, but non-canonical, classical form. Within this Poisson structure, either the s.p. energy or the s.p. grand potential Ω(ρ) act as a Hamilton function. The Lyapunov stability of both the TDHF and RPA equations around a HF state then follows, since the HF approximation for thermal equilibrium is determined by minimizing Ω(ρ). The RPA matrix in the Liouville space is expressed as the product of the Poisson tensor with the HF stability matrix, interpreted as a metric tensor generated by the entropy. This factorization displays the roles of the energy and entropy terms arising from Ω(ρ) in the RPA dynamics, and it helps to construct the RPA modes. Several extensions are considered. copyright 1989 Academic Press, Inc

Lyapunov stability and Poisson structure of the thermal TDHF and RPA equations

International Nuclear Information System (INIS)

Veneroni, M.; Balian, R.

1989-01-01

The thermal TDHF equation is analyzed in the Liouville representation of quantum mechanics, where the matrix elements of the single-particle (s.p.) density ρ behave as classical dynamical variables. By introducing the Lie-Poisson bracket associated with the unitary group of the s.p. Hilbert space, we show that TDHF has a hamiltonian, but non-canonical, classical form. Within this Poisson structure, either the s.p. energy or the s.p. grand potential Ω(ρ) act as a Hamilton function. The Lyapunov stability of both the TDHF and RPA equations around a HF state then follows, since the HF approximation for thermal equilibrium is determined by minimizing Ω(ρ). The RPA matrix in the Liouville space is expressed as the product of the Poisson tensor with the HF stability matrix, interpreted as a metric tensor generated by the entropy. This factorization displays the roles of the energy and entropy terms arising from Ω(ρ) in the RPA dynamics, and it helps to construct the RPA modes. Several extensions are considered

Poisson-Fermi Formulation of Nonlocal Electrostatics in Electrolyte Solutions

Directory of Open Access Journals (Sweden)

Liu Jinn-Liang

2017-10-01

Full Text Available We present a nonlocal electrostatic formulation of nonuniform ions and water molecules with interstitial voids that uses a Fermi-like distribution to account for steric and correlation efects in electrolyte solutions. The formulation is based on the volume exclusion of hard spheres leading to a steric potential and Maxwell’s displacement field with Yukawa-type interactions resulting in a nonlocal electric potential. The classical Poisson-Boltzmann model fails to describe steric and correlation effects important in a variety of chemical and biological systems, especially in high field or large concentration conditions found in and near binding sites, ion channels, and electrodes. Steric effects and correlations are apparent when we compare nonlocal Poisson-Fermi results to Poisson-Boltzmann calculations in electric double layer and to experimental measurements on the selectivity of potassium channels for K+ over Na+.

Rarefied gas flow simulations using high-order gas-kinetic unified algorithms for Boltzmann model equations

Science.gov (United States)

Li, Zhi-Hui; Peng, Ao-Ping; Zhang, Han-Xin; Yang, Jaw-Yen

2015-04-01

This article reviews rarefied gas flow computations based on nonlinear model Boltzmann equations using deterministic high-order gas-kinetic unified algorithms (GKUA) in phase space. The nonlinear Boltzmann model equations considered include the BGK model, the Shakhov model, the Ellipsoidal Statistical model and the Morse model. Several high-order gas-kinetic unified algorithms, which combine the discrete velocity ordinate method in velocity space and the compact high-order finite-difference schemes in physical space, are developed. The parallel strategies implemented with the accompanying algorithms are of equal importance. Accurate computations of rarefied gas flow problems using various kinetic models over wide ranges of Mach numbers 1.2-20 and Knudsen numbers 0.0001-5 are reported. The effects of different high resolution schemes on the flow resolution under the same discrete velocity ordinate method are studied. A conservative discrete velocity ordinate method to ensure the kinetic compatibility condition is also implemented. The present algorithms are tested for the one-dimensional unsteady shock-tube problems with various Knudsen numbers, the steady normal shock wave structures for different Mach numbers, the two-dimensional flows past a circular cylinder and a NACA 0012 airfoil to verify the present methodology and to simulate gas transport phenomena covering various flow regimes. Illustrations of large scale parallel computations of three-dimensional hypersonic rarefied flows over the reusable sphere-cone satellite and the re-entry spacecraft using almost the largest computer systems available in China are also reported. The present computed results are compared with the theoretical prediction from gas dynamics, related DSMC results, slip N-S solutions and experimental data, and good agreement can be found. The numerical experience indicates that although the direct model Boltzmann equation solver in phase space can be computationally expensive

Direct solution of the biharmonic equation on rectangular regions and the Poisson equation on irregular regions

International Nuclear Information System (INIS)

Buzbee, B.L.; Dorr, F.W.

1974-01-01

The discrete biharmonic equation on a rectangular region and the discrete Poisson equation on an irregular region can be treated as modifications to matrix problems with very special structure. It is shown how to use the direct method of matrix decomposition to formulate an effective numerical algorithm for these problems. For typical applications the operation count is O(N 3 ) for an N x N grid. Numerical comparisons with other techniques are included. (U.S.)

Supersymmetric electroweak baryogenesis, nonequilibrium field theory and quantum Boltzmann equations

CERN Document Server

Riotto, Antonio

1998-01-01

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

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

DEFF Research Database (Denmark)

Johannessen, Kim

2014-01-01

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

Direct numerical solution of Poisson's equation in cylindrical (r, z) coordinates

International Nuclear Information System (INIS)

Chao, E.H.; Paul, S.F.; Davidson, R.C.; Fine, K.S.

1997-01-01

A direct solver method is developed for solving Poisson's equation numerically for the electrostatic potential φ(r,z) in a cylindrical region (r wall , 0 wall , z) are specified, and ∂φ/∂z = 0 at the axial boundaries (z = 0, L)

Description of the approach to equilibrium in the Boltzmann equation

Energy Technology Data Exchange (ETDEWEB)

Barrachina, R.O.; Fujii, D.H.; Garibotti, C.R.

1985-06-01

An integral transform of the Boltzmann equation with a clear physical interpretation is introduced. It is applied to different interaction models and initial conditions, relevant information about the way the equilibrium is reached. This method leads quite naturally to the introduction of an N-pole approximant of the distribution function which seems to be a rather useful technique not only in view of its simplicity but also because of its capability to keep track of the temporal evolution features of the chosen interaction model. 6 references.

Modelling and nonlinear shock waves for binary gas mixtures by the discrete Boltzmann equation with multiple collisions

International Nuclear Information System (INIS)

Bianchi, M.P.

1991-01-01

The discrete Boltzmann equation is a mathematical model in the kinetic theory of gases which defines the time and space evolution of a system of gas particles with a finite number of selected velocities. Discrete kinetic theory is an interesting field of research in mathematical physics and applied mathematics for several reasons. One of the relevant fields of application of the discrete Boltzmann equation is the analysis of nonlinear shock wave phenomena. Here, a new multiple collision regular plane model for binary gas mixtures is proposed within the discrete theory of gases and applied to the analysis of the classical problems of shock wave propagation

Numerical simulations of a family of the coupled viscous Burgers, equation using the lattice Boltzmann method

International Nuclear Information System (INIS)

He, Y B; Tang, X H

2016-01-01

In this paper, in order to extend the lattice Boltzmann method (LBM) to deal with more nonlinear systems, a one-dimensional and five-velocity lattice Boltzmann scheme with an amending function for a family of the coupled viscous Burgers’ equation (CVBE) is proposed. With the Taylor and Chapman–Enskog expansion, a family of the CVBE is recovered correctly from the lattice Boltzmann equation through selecting the equilibrium distribution functions and amending functions properly. The method is applied to some test examples with an analytical solution. The results are compared with those obtained by the finite difference method (FDM); it is shown that the numerical solutions agree well with the analytical solutions and the errors obtained by the present method are smaller than the FDM. Furthermore, some problems without analytical solutions are numerically studied by the present method and the FDM. The results show that the numerical solutions of the LBM are in good agreement with those obtained by the FDM, which can validate the effectiveness and stability of the LBM. (paper: classical statistical mechanics, equilibrium and non-equilibrium)

Semiconductor device simulation by a new method of solving poisson, Laplace and Schrodinger equations

International Nuclear Information System (INIS)

Sharifi, M. J.; Adibi, A.

2000-01-01

In this paper, we have extended and completed our previous work, that was introducing a new method for finite differentiation. We show the applicability of the method for solving a wide variety of equations such as poisson, Laplace and Schrodinger. These equations are fundamental to the most semiconductor device simulators. In a section, we solve the Shordinger equation by this method in several cases including the problem of finding electron concentration profile in the channel of a HEMT. In another section, we solve the Poisson equation by this method, choosing the problem of SBD as an example. Finally we solve the Laplace equation in two dimensions and as an example, we focus on the VED. In this paper, we have shown that, the method can get stable and precise results in solving all of these problems. Also the programs which have been written based on this method become considerably faster, more clear, and more abstract

Analysis of a bubble coalescence in the multiphase lattice Boltzmann method

International Nuclear Information System (INIS)

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

2008-01-01

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

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

Science.gov (United States)

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

2017-10-01

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

Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations

Directory of Open Access Journals (Sweden)

V.Dorvilien

2013-01-01

Full Text Available The structure of cylindrical double layers is studied using a modified Poisson Boltzmann theory and the density functional approach. In the model double layer the electrode is a cylindrical polyion that is infinitely long, impenetrable, and uniformly charged. The polyion is immersed in a sea of equi-sized rigid ions embedded in a dielectric continuum. An in-depth comparison of the theoretically predicted zeta potentials, the mean electrostatic potentials, and the electrode-ion singlet density distributions is made with the corresponding Monte Carlo simulation data. The theories are seen to be consistent in their predictions that include variations in ionic diameters, electrolyte concentrations, and electrode surface charge densities, and are also able to reproduce well some new and existing Monte Carlo results.

Solution of the Dirichlet Problem for the Poisson's Equation in a Multidimensional Infinite Layer

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O. D. Algazin

2015-01-01

Full Text Available The paper considers the multidimensional Poisson equation in the domain bounded by two parallel hyperplanes (in the multidimensional infinite layer. For an n-dimensional half-space method of solving boundary value problems for linear partial differential equations with constant coefficients is a Fourier transform to the variables in the boundary hyperplane. The same method can be used for an infinite layer, as is done in this paper in the case of the Dirichlet problem for the Poisson equation. For strip and infinite layer in three-dimensional space the solutions of this problem are known. And in the three-dimensional case Green's function is written as an infinite series. In this paper, the solution is obtained in the integral form and kernels of integrals are expressed in a finite form in terms of elementary functions and Bessel functions. A recurrence relation between the kernels of integrals for n-dimensional and (n + 2 -dimensional layers was obtained. In particular, is built the Green's function of the Laplace operator for the Dirichlet problem, through which the solution of the problem is recorded. Even in three-dimensional case we obtained new formula compared to the known. It is shown that the kernel of the integral representation of the solution of the Dirichlet problem for a homogeneous Poisson equation (Laplace equation is an approximate identity (δ-shaped system of functions. Therefore, if the boundary values are generalized functions of slow growth, the solution of the Dirichlet problem for the homogeneous equation (Laplace is written as a convolution of kernels with these functions.

Which solutions of the third problem for the Poisson equation are bounded?

Czech Academy of Sciences Publication Activity Database

Medková, Dagmar

-, č. 6 (2004), s. 501-510 ISSN 1085-3375 R&D Projects: GA ČR GA201/00/1515 Institutional research plan: CEZ:AV0Z1019905 Keywords : Poisson equation * Robin problem * boundedness Subject RIV: BA - General Mathematics

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

International Nuclear Information System (INIS)

Martiarena, M.L.

1989-01-01

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

POSSOL, 2-D Poisson Equation Solver for Nonuniform Grid

International Nuclear Information System (INIS)

Orvis, W.J.

1988-01-01

1 - Description of program or function: POSSOL is a two-dimensional Poisson equation solver for problems with arbitrary non-uniform gridding in Cartesian coordinates. It is an adaptation of the uniform grid PWSCRT routine developed by Schwarztrauber and Sweet at the National Center for Atmospheric Research (NCAR). 2 - Method of solution: POSSOL will solve the Helmholtz equation on an arbitrary, non-uniform grid on a rectangular domain allowing only one type of boundary condition on any one side. It can also be used to handle more than one type of boundary condition on a side by means of a capacitance matrix technique. There are three types of boundary conditions that can be applied: fixed, derivative, or periodic

Wigner distribution functions for complex dynamical systems: the emergence of the Wigner-Boltzmann equation.

Science.gov (United States)

Sels, Dries; Brosens, Fons

2013-10-01

The equation of motion for the reduced Wigner function of a system coupled to an external quantum system is presented for the specific case when the external quantum system can be modeled as a set of harmonic oscillators. The result is derived from the Wigner function formulation of the Feynman-Vernon influence functional theory. It is shown how the true self-energy for the equation of motion is connected with the influence functional for the path integral. Explicit expressions are derived in terms of the bare Wigner propagator. Finally, we show under which approximations the resulting equation of motion reduces to the Wigner-Boltzmann equation.

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

Science.gov (United States)

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

2018-01-01

In this paper, a general lattice Boltzmann (LB) model is proposed for the high-order nonlinear partial differential equation with the form ∂_{t}ϕ+∑_{k=1}^{m}α_{k}∂_{x}^{k}Π_{k}(ϕ)=0 (1≤k≤m≤6), α_{k} are constant coefficients, Π_{k}(ϕ) are some known differential functions of ϕ. As some special cases of the high-order nonlinear partial differential equation, the classical (m)KdV equation, KdV-Burgers equation, K(n,n)-Burgers equation, Kuramoto-Sivashinsky equation, and Kawahara equation can be solved by the present LB model. Compared to the available LB models, the most distinct characteristic of the present model is to introduce some suitable auxiliary moments such that the correct moments of equilibrium distribution function can be achieved. In addition, we also conducted a detailed Chapman-Enskog analysis, and found that the high-order nonlinear partial differential equation can be correctly recovered from the proposed LB model. Finally, a large number of simulations are performed, and it is found that the numerical results agree with the analytical solutions, and usually the present model is also more accurate than the existing LB models [H. Lai and C. Ma, Sci. China Ser. G 52, 1053 (2009)1672-179910.1007/s11433-009-0149-3; H. Lai and C. Ma, Phys. A (Amsterdam) 388, 1405 (2009)PHYADX0378-437110.1016/j.physa.2009.01.005] for high-order nonlinear partial differential equations.

Lattice Boltzmann model for high-order nonlinear partial differential equations

Science.gov (United States)

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

2018-01-01

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

Ludwig Boltzmann - pioneer of atomistics and evolution

International Nuclear Information System (INIS)

Stiller, W.

1986-01-01

At first a short introduction to Ludwig Boltzmann's life (1844 - 1906) and work is given. Some theoretical results of his work (H-theorem, classical Boltzmann statistics, Boltzmann's kinetic equation) are treated in detail. His experimental work is briefly discussed. In addition Boltzmann's philosophical work is characterized. Finally, the influence of Boltzmann's ideas on our time is investigated. (author)

Matrix-valued Boltzmann equation for the nonintegrable Hubbard chain.

Science.gov (United States)

Fürst, Martin L R; Mendl, Christian B; Spohn, Herbert

2013-07-01

The standard Fermi-Hubbard chain becomes nonintegrable by adding to the nearest neighbor hopping additional longer range hopping amplitudes. We assume that the quartic interaction is weak and investigate numerically the dynamics of the chain on the level of the Boltzmann type kinetic equation. Only the spatially homogeneous case is considered. We observe that the huge degeneracy of stationary states in the case of nearest neighbor hopping is lost and the convergence to the thermal Fermi-Dirac distribution is restored. The convergence to equilibrium is exponentially fast. However for small next-nearest neighbor hopping amplitudes one has a rapid relaxation towards the manifold of quasistationary states and slow relaxation to the final equilibrium state.

Behavior of Poisson Bracket Mapping Equation in Studying Excitation Energy Transfer Dynamics of Cryptophyte Phycocyanin 645 Complex

International Nuclear Information System (INIS)

Lee, Weon Gyu; Kelly, Aaron; Rhee, Young Min

2012-01-01

Recently, it has been shown that quantum coherence appears in energy transfers of various photosynthetic light harvesting complexes at from cryogenic to even room temperatures. Because the photosynthetic systems are inherently complex, these findings have subsequently interested many researchers in the field of both experiment and theory. From the theoretical part, simplified dynamics or semiclassical approaches have been widely used. In these approaches, the quantum-classical Liouville equation (QCLE) is the fundamental starting point. Toward the semiclassical scheme, approximations are needed to simplify the equations of motion of various degrees of freedom. Here, we have adopted the Poisson bracket mapping equation (PBME) as an approximate form of QCLE and applied it to find the time evolution of the excitation in a photosynthetic complex from marine algae. The benefit of using PBME is its similarity to conventional Hamiltonian dynamics. Through this, we confirmed the coherent population transfer behaviors in short time domain as previously reported with a more accurate but more time-consuming iterative linearized density matrix approach. However, we find that the site populations do not behave according to the Boltzmann law in the long time limit. We also test the effect of adding spurious high frequency vibrations to the spectral density of the bath, and find that their existence does not alter the dynamics to any significant extent as long as the associated reorganization energy is changed not too drastically. This suggests that adopting classical trajectory based ensembles in semiclassical simulations should not influence the coherence dynamics in any practical manner, even though the classical trajectories often yield spurious high frequency vibrational features in the spectral density

A new scheme for solving inhomogeneous Boltzmann equation for electrons in weakly ionised gases

International Nuclear Information System (INIS)

Mahmoud, M.O.M.; Yousfi, M.

1995-01-01

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)

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

International Nuclear Information System (INIS)

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

2003-01-01

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

Quadratic inner element subgrid scale discretisation of the Boltzmann transport equation

International Nuclear Information System (INIS)

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

2012-01-01

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

A Poisson equation formulation for pressure calculations in penalty finite element models for viscous incompressible flows

Science.gov (United States)

Sohn, J. L.; Heinrich, J. C.

1990-01-01

The calculation of pressures when the penalty-function approximation is used in finite-element solutions of laminar incompressible flows is addressed. A Poisson equation for the pressure is formulated that involves third derivatives of the velocity field. The second derivatives appearing in the weak formulation of the Poisson equation are calculated from the C0 velocity approximation using a least-squares method. The present scheme is shown to be efficient, free of spurious oscillations, and accurate. Examples of applications are given and compared with results obtained using mixed formulations.

Monte Carlo method implementation on IPSC 860 for the resolution of the Boltzmann equation

International Nuclear Information System (INIS)

AloUGES, Francois

1993-01-01

This note deals with the implementation on a massively parallel machine (IPSC-860) of a Monte-Carlo method aiming at resolving the Boltzmann equation. The parallelism of the machine incites to consider a multi-domain approach and poses the problem of the automatic generation of local meshes from a non-structured 3-D global mesh [fr

On the effects of the reactive terms in the Boltzmann equation

Directory of Open Access Journals (Sweden)

C. J. Zamlutti

Full Text Available The effects of the production and loss mechanisms that affect the Boltzmann equations are considered by the inclusion of a reactive term. The necessary elements to develop a proper form for this term are revised and the current trends analyzed. Although no accurate theoretical treatment of the problem is possible due to the many body nature of it, important relations can be derived which, besides being representative of the quantitative aspects of the matter, are illustrative of the qualitative features of the phenomenon. The overall procedure is detailed in this revision.

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

International Nuclear Information System (INIS)

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

1996-01-01

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

Navier-Stokes Dynamics by a Discrete Boltzmann Model

Science.gov (United States)

Rubinstein, Robet

2010-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-08-15

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

Asymptotic solution of the Vlasov and Poisson equations for an inhomogeneous plasma

International Nuclear Information System (INIS)

Croci, R.

1991-01-01

The asymptotic solutions to a class of inhomogeneous integral equations that reduce to algebraic equations when a parameter η goes to zero (the kernel becoming proportional to a Dirac δ function) are derived. This class includes the integral equations obtained from the system of Vlasov and Poisson equations for the Fourier transform in space and the Laplace transform in time of the electrostatic potential, when the equilibrium magnetic field is uniform and the equilibrium plasma density depends on ηx, with the co-ordinate z being the direction of the magnetic field. In this case the inhomogeneous term is given by the initial conditions and possibly by sources, and the Laplace-transform variable ω is the eigenvalue parameter. (Author)

Particular solutions of generalized Euler-Poisson-Darboux equation

Directory of Open Access Journals (Sweden)

Rakhila B. Seilkhanova

2015-01-01

Full Text Available In this article we consider the generalized Euler-Poisson-Darboux equation $$ {u}_{tt}+\\frac{2\\gamma }{t}{{u}_{t}}={u}_{xx}+{u}_{yy} +\\frac{2\\alpha }{x}{{u}_{x}}+\\frac{2\\beta }{y}{{u}_y},\\quad x>0,\\;y>0,\\;t>0. $$ We construct particular solutions in an explicit form expressed by the Lauricella hypergeometric function of three variables. Properties of each constructed solutions have been investigated in sections of surfaces of the characteristic cone. Precisely, we prove that found solutions have singularity $1/r$ at $r\\to 0$, where ${{r}^2}={{( x-{{x}_0}}^2}+{{( y-{{y}_0}}^2}-{{( t-{{t}_0}}^2}$.

Celebrating Cercignani's conjecture for the Boltzmann equation

KAUST Repository

Villani, Cédric

2011-01-01

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

Team behaviour analysis in sports using the poisson equation

OpenAIRE

Direkoglu, Cem; O'Connor, Noel E.

2012-01-01

We propose a novel physics-based model for analysing team play- ers’ positions and movements on a sports playing field. The goal is to detect for each frame the region with the highest population of a given team’s players and the region towards which the team is moving as they press for territorial advancement, termed the region of intent. Given the positions of team players from a plan view of the playing field at any given time, we solve a particular Poisson equation to generate a smooth di...

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

International Nuclear Information System (INIS)

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

1995-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

1995-01-01

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

Transport methods: general. 7. Formulation of a Fourier-Boltzmann Transformation to Solve the Three-Dimensional Transport Equation

International Nuclear Information System (INIS)

Stancic, V.

2001-01-01

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

Ludwig Boltzmann: Atomic genius

Energy Technology Data Exchange (ETDEWEB)

Cercignani, C. [Department of Mathematics, Politecnico di Milano (Italy)]. E-mail: carcer@mate.polimi.it

2006-09-15

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.)

General solution of Poisson equation in three dimensions for disk-like galaxies

International Nuclear Information System (INIS)

Tong, Y.; Zheng, X.; Peng, O.

1982-01-01

The general solution of the Poisson equation is solved by means of integral transformations for Vertical BarkVertical Barr>>1 provided that the perturbed density of disk-like galaxies distributes along the radial direction according to the Hankel function. This solution can more accurately represent the outer spiral arms of disk-like galaxies

Relativistic Boltzmann theory for a plasma

International Nuclear Information System (INIS)

Erkelens, H. van.

1984-01-01

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

Lattice Boltzmann simulations of the contact angle in a liquid-gas system

International Nuclear Information System (INIS)

Ryu, Seung Yeob; Park, Cheon Tae; Kim, Keung Koo

2008-01-01

Recently, the lattice Boltzmann method (LBM) has gained much attention for its ability to simulate fluid flows, and for its potential advantages over a conventional CFD method. The key advantages of LBM are, (1) suitability for parallel computations, (2) absence of the need to solve the time-consuming Poisson equation for a pressure, and (3) an ease with multiphase flows, complex geometries and interfacial dynamics may be treated. The shape of a moving droplet is difficult to investigate analytically because the classical continuum hydrodynamic equations of motion with the usual no-slip condition at the surface predict a singularity in the stress at the contact line. Briant et al. have proposed a wetting boundary condition by using the wetting potential. In this study, we introduce the wetting boundary condition into the LBM proposed by Zheng et al. The static contact angle of a droplet onto a wall in order to validate the method is calculated. By adopting a finite difference gradient operator of a sufficient isotropy, the spurious currents can be made small in the wall surface. The main objective of the present work is to establish the lattice Boltzmann method as a viable tool for the simulation of multiphase or multi-component flows

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

Science.gov (United States)

Verschaeve, Joris C G

2011-06-13

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

A differential equation for the Generalized Born radii.

Science.gov (United States)

Fogolari, Federico; Corazza, Alessandra; Esposito, Gennaro

2013-06-28

The Generalized Born (GB) model offers a convenient way of representing electrostatics in complex macromolecules like proteins or nucleic acids. The computation of atomic GB radii is currently performed by different non-local approaches involving volume or surface integrals. Here we obtain a non-linear second-order partial differential equation for the Generalized Born radius, which may be solved using local iterative algorithms. The equation is derived under the assumption that the usual GB approximation to the reaction field obeys Laplace's equation. The equation admits as particular solutions the correct GB radii for the sphere and the plane. The tests performed on a set of 55 different proteins show an overall agreement with other reference GB models and "perfect" Poisson-Boltzmann based values.

The Boltzmann-Langevin Equation derived from the real-time path formalism

International Nuclear Information System (INIS)

Suraud, E.; Reinhard, P.G.

1991-01-01

We derive the Boltzmann-Langevin equation using Green's functions techniques in the real-time path formalism. We start from the Martin-Schwinger hierarchy and close it approximately at the two-body level. A careful discussion of the initial conditions for the free two-body Green's function provides the flexibility to recover the discarded correlations as fluctuations leading to the Langevin force. The derivation is generalized to the T-matrix approach which allows to prove that one can use the same effective interaction in the mean-field as well as in the collision term and Langevin force

Derivation of Poisson and Nernst-Planck equations in a bath and channel from a molecular model.

Science.gov (United States)

Schuss, Z; Nadler, B; Eisenberg, R S

2001-09-01

Permeation of ions from one electrolytic solution to another, through a protein channel, is a biological process of considerable importance. Permeation occurs on a time scale of micro- to milliseconds, far longer than the femtosecond time scales of atomic motion. Direct simulations of atomic dynamics are not yet possible for such long-time scales; thus, averaging is unavoidable. The question is what and how to average. In this paper, we average a Langevin model of ionic motion in a bulk solution and protein channel. The main result is a coupled system of averaged Poisson and Nernst-Planck equations (CPNP) involving conditional and unconditional charge densities and conditional potentials. The resulting NP equations contain the averaged force on a single ion, which is the sum of two components. The first component is the gradient of a conditional electric potential that is the solution of Poisson's equation with conditional and permanent charge densities and boundary conditions of the applied voltage. The second component is the self-induced force on an ion due to surface charges induced only by that ion at dielectric interfaces. The ion induces surface polarization charge that exerts a significant force on the ion itself, not present in earlier PNP equations. The proposed CPNP system is not complete, however, because the electric potential satisfies Poisson's equation with conditional charge densities, conditioned on the location of an ion, while the NP equations contain unconditional densities. The conditional densities are closely related to the well-studied pair-correlation functions of equilibrium statistical mechanics. We examine a specific closure relation, which on the one hand replaces the conditional charge densities by the unconditional ones in the Poisson equation, and on the other hand replaces the self-induced force in the NP equation by an effective self-induced force. This effective self-induced force is nearly zero in the baths but is approximately

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

Science.gov (United States)

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

2010-09-20

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

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

Science.gov (United States)

Asinari, Pietro

2010-10-01

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

Simplified simulation of Boltzmann-Langevin equation

International Nuclear Information System (INIS)

Ayik, S.; Randrup, J.

1994-01-01

We briefly recall the Boltzmann-Langevin model of nuclear dynamics. We then summarize recent progress in deriving approximate analytical expressions for the associated transport coefficients and describe a numerical method for simulating the stochastic evolution of the phase-space density. (orig.)

High-Order Finite-Difference Solution of the Poisson Equation with Interface Jump Conditions II

Science.gov (United States)

Marques, Alexandre; Nave, Jean-Christophe; Rosales, Rodolfo

2010-11-01

The Poisson equation with jump discontinuities across an interface is of central importance in Computational Fluid Dynamics. In prior work, Marques, Nave, and Rosales have introduced a method to obtain fourth-order accurate solutions for the constant coefficient Poisson problem. Here we present an extension of this method to solve the variable coefficient Poisson problem to fourth-order of accuracy. The extended method is based on local smooth extrapolations of the solution field across the interface. The extrapolation procedure uses a combination of cubic Hermite interpolants and a high-order representation of the interface using the Gradient-Augmented Level-Set technique. This procedure is compatible with the use of standard discretizations for the Laplace operator, and leads to modified linear systems which have the same sparsity pattern as the standard discretizations. As a result, standard Poisson solvers can be used with only minimal modifications. Details of the method and applications will be presented.

Iterative observer based method for source localization problem for Poisson equation in 3D

KAUST Repository

Majeed, Muhammad Usman; Laleg-Kirati, Taous-Meriem

2017-01-01

A state-observer based method is developed to solve point source localization problem for Poisson equation in a 3D rectangular prism with available boundary data. The technique requires a weighted sum of solutions of multiple boundary data

Development of a Generalized Version of the Poisson-Nernst-Planck Equations Using the Hybrid Mixture Theory: Presentation of 2D Numerical Examples

DEFF Research Database (Denmark)

Johannesson, Björn

2010-01-01

A numerical scheme for the transient solution of generalized version of the Poisson-Nernst-Planck equations is presented. The finite element method is used to establish the coupled non-linear matrix system of equations capable of solving the present problem iteratively. The Poisson......-scale and that it includes the volume fractions of phases in its structure. The background to the Poisson-Nernst-Planck equations can by the HMT approach be described by using the postulates of mass conservation of constituents together with the Gauss’ law used together with consistent constitutive laws. The HMT theory......-Nernst-Planck equations represent a set of diffusion equations for charged species, i.e. dissolved ions. These equations are coupled to the ‘internally’ induced electrical field and to the velocity field of the fluid. The Nernst-Planck equations describing the diffusion of the ionic species and the Gauss’ law in used are...

Isospin dependent Boltzmann-langevin equation and the production cross section of 19Na

International Nuclear Information System (INIS)

Ming Zhaoyu; Zhang Fengshou; Chen Liewen; Zhu Zhiyuan; Zhang Wenlong; Guo Zhongyan; Xiao Guoqing

2000-01-01

A new transport model (isospin dependent Boltzmann-Langevin equation) is developed and it is shown that this model can regenerate the experimental data for reaction of 12 C + 12 C at 28.7 MeV/u. The production cross section of 19 Na is systematically studied for reactions of 17-20,22 Ne + 12 C at 28.7 MeV/u. It is found that a neutron deficient projectile has larger 19 Na cross section than a stable projectile

Recent applications of the Boltzmann master equation to heavy ion precompound decay phenomena

International Nuclear Information System (INIS)

Blann, M.; Remington, B.A.

1988-06-01

The Boltzmann master equation (BME) is described and used as a tool to interpret preequilibrium neutron emission from heavy ion collisions gated on evaporation residue or fission fragments. The same approach is used to interpret neutron spectra gated on deep inelastic and quasi-elastic heavy ion collisions. Less successful applications of BME to proton inclusive data with 40 MeV/u incident 12 C ions are presented, and improvements required in the exciton injection term are discussed

Variational multiscale models for charge transport.

Science.gov (United States)

Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin

2012-01-01

This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle

Variational multiscale models for charge transport

Science.gov (United States)

Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin

2012-01-01

This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle

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

International Nuclear Information System (INIS)

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

2013-01-01

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

Poisson-Nernst-Planck equations with steric effects - non-convexity and multiple stationary solutions

Science.gov (United States)

Gavish, Nir

2018-04-01

We study the existence and stability of stationary solutions of Poisson-Nernst-Planck equations with steric effects (PNP-steric equations) with two counter-charged species. We show that within a range of parameters, steric effects give rise to multiple solutions of the corresponding stationary equation that are smooth. The PNP-steric equation, however, is found to be ill-posed at the parameter regime where multiple solutions arise. Following these findings, we introduce a novel PNP-Cahn-Hilliard model, show that it is well-posed and that it admits multiple stationary solutions that are smooth and stable. The various branches of stationary solutions and their stability are mapped utilizing bifurcation analysis and numerical continuation methods.

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

International Nuclear Information System (INIS)

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

2014-01-01

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

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

Science.gov (United States)

Guo, Yangyu; Wang, Moran

2017-10-01

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

Unbiased minimum variance estimator of a matrix exponential function. Application to Boltzmann/Bateman coupled equations solving

International Nuclear Information System (INIS)

Dumonteil, E.; Diop, C. M.

2009-01-01

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)

Mean electrostatic and Poisson-Boltzmann models for multicomponent transport through compacted clay

International Nuclear Information System (INIS)

Steefel, C.I.; Galindez, J.M.

2012-01-01

Document available in extended abstract form only. Electrical double layer effects in the pore space of clays become increasingly important as the level of compaction increases and intergrain and interlayer spacings shift towards the range of nano-meters. At such scales, solute transport can no longer be explained by concentration gradients alone and it becomes necessary to include the electrostatic effects on chemical potentials. In fact, the electrical double layer (EDL) that develops in the neighborhood of the negatively charged clay surfaces can extend well into the aqueous phase, effectively constraining the space available to anions (known as anion exclusion), thus distorting the spatial distribution of ionic species in solution. In this study, we make use of two approaches for addressing the accumulation and transport of charged ionic species in the electrical double layers of compacted bentonite: 1) a mean electrostatic approach based on the assumption of Donnan equilibrium, and 2) a 2D numerical approach based on the multicomponent Poisson-Nernst-Planck (NPP) set of equations. For the mean electrostatic or Donnan approach to the electrical double layer [1], two options are considered: 1) a model in which surface complexation in the Stern layer may partly balance the fixed charge of the montmorillonite making up the bentonite buffer, and 2) a model in which the fixed mineral charge is balanced completely by the diffuse layer. In the mean electrostatic approach, one additional equation that balances the charge between the Stern layer and the diffuse layer is added to the multicomponent reactive transport code CrunchFlow. The only additional unknown that is required is the mean electrostatic potential, although it may be necessary in certain cases to consider the volume (or width) of the electrical double layer as an additional implicit unknown. Both ions and neutral species may diffuse within the diffuse layer according to their gradients and species

Heat conduction in multifunctional nanotrusses studied using Boltzmann transport equation

International Nuclear Information System (INIS)

Dou, Nicholas G.; Minnich, Austin J.

2016-01-01

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

Mathematical modeling of influence of ion size effects in an electrolyte in a nanoslit with overlapped EDL

Science.gov (United States)

Rajni, Kumar, Prashant

2017-10-01

Many nanofluidic systems are being used in a wide range of applications due to advances in nanotechnology. Due to nanoscale size of the system, the physics involved in the electric double layer and consequently the different phenomena related to it are different than those at microscale. The Poisson-Boltzmann equation governing the electric double layer in the system has many shortcomings such as point sized ions. The inclusion of finite size of ions give rise to various electrokinetic phenomena. Electrocapillarity is one such phenomena where the size effect plays an important role. Theeffect of asymmetric finite ion sizes in nano-confinement in the view of osmotic pressure and electrocapillarity is analyzed. As the confinement width of the system becomes comparable with the Debye length, the overlapped electric double layer (EDL) is influenced and significantly deformed by the steric effects. The osmotic pressure from the modified Poisson-Boltzmann equation in nanoslit is obtained. Due to nonlinear nature of the modified PB equation, the solution is obtained through numerical method. Afterwards, the electrocapillarity due to the steric effect is analyzed under constant surface potential condition at the walls of the nanoslit along with the flat interface assumption.

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

Science.gov (United States)

Hu, Kainan; Zhang, Hongwu; Geng, Shaojuan

2016-10-01

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

Localization of Point Sources for Poisson Equation using State Observers

KAUST Repository

Majeed, Muhammad Usman

2016-08-09

A method based On iterative observer design is presented to solve point source localization problem for Poisson equation with riven boundary data. The procedure involves solution of multiple boundary estimation sub problems using the available Dirichlet and Neumann data from different parts of the boundary. A weighted sum of these solution profiles of sub-problems localizes point sources inside the domain. Method to compute these weights is also provided. Numerical results are presented using finite differences in a rectangular domain. (C) 2016, IFAC (International Federation of Automatic Control) Hosting by Elsevier Ltd. All rights reserved.

Localization of Point Sources for Poisson Equation using State Observers

KAUST Repository

Majeed, Muhammad Usman; Laleg-Kirati, Taous-Meriem

2016-01-01

A method based On iterative observer design is presented to solve point source localization problem for Poisson equation with riven boundary data. The procedure involves solution of multiple boundary estimation sub problems using the available Dirichlet and Neumann data from different parts of the boundary. A weighted sum of these solution profiles of sub-problems localizes point sources inside the domain. Method to compute these weights is also provided. Numerical results are presented using finite differences in a rectangular domain. (C) 2016, IFAC (International Federation of Automatic Control) Hosting by Elsevier Ltd. All rights reserved.

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

International Nuclear Information System (INIS)

Toledo, P.S. de

1974-01-01

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

Accurate Solution of Multi-Region Continuum Biomolecule Electrostatic Problems Using the Linearized Poisson-Boltzmann Equation with Curved Boundary Elements

Science.gov (United States)

Altman, Michael D.; Bardhan, Jaydeep P.; White, Jacob K.; Tidor, Bruce

2009-01-01

We present a boundary-element method (BEM) implementation for accurately solving problems in biomolecular electrostatics using the linearized Poisson–Boltzmann equation. Motivating this implementation is the desire to create a solver capable of precisely describing the geometries and topologies prevalent in continuum models of biological molecules. This implementation is enabled by the synthesis of four technologies developed or implemented specifically for this work. First, molecular and accessible surfaces used to describe dielectric and ion-exclusion boundaries were discretized with curved boundary elements that faithfully reproduce molecular geometries. Second, we avoided explicitly forming the dense BEM matrices and instead solved the linear systems with a preconditioned iterative method (GMRES), using a matrix compression algorithm (FFTSVD) to accelerate matrix-vector multiplication. Third, robust numerical integration methods were employed to accurately evaluate singular and near-singular integrals over the curved boundary elements. Finally, we present a general boundary-integral approach capable of modeling an arbitrary number of embedded homogeneous dielectric regions with differing dielectric constants, possible salt treatment, and point charges. A comparison of the presented BEM implementation and standard finite-difference techniques demonstrates that for certain classes of electrostatic calculations, such as determining absolute electrostatic solvation and rigid-binding free energies, the improved convergence properties of the BEM approach can have a significant impact on computed energetics. We also demonstrate that the improved accuracy offered by the curved-element BEM is important when more sophisticated techniques, such as non-rigid-binding models, are used to compute the relative electrostatic effects of molecular modifications. In addition, we show that electrostatic calculations requiring multiple solves using the same molecular geometry

A Unified Theory of Non-Ideal Gas Lattice Boltzmann Models

Science.gov (United States)

Luo, Li-Shi

1998-01-01

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

Construction of Nodal Bubbling Solutions for the Weighted Sinh-Poisson Equation

Directory of Open Access Journals (Sweden)

Yibin Zhang

2013-01-01

Full Text Available We consider the weighted sinh-Poisson equation in , on , where is a small parameter, , and is a unit ball in . By a constructive way, we prove that for any positive integer , there exists a nodal bubbling solution which concentrates at the origin and the other -points , , such that as , , where and is an odd integer with , or is an even integer. The same techniques lead also to a more general result on general domains.

Comment on 'On higher order corrections to gyrokinetic Vlasov-Poisson equations in the long wavelength limit' [Phys. Plasmas 16, 044506 (2009)

International Nuclear Information System (INIS)

Parra, Felix I.; Catto, Peter J.

2009-01-01

A recent publication [F. I. Parra and P. J. Catto, Plasma Phys. Controlled Fusion 50, 065014 (2008)] warned against the use of the lower order gyrokinetic Poisson equation at long wavelengths because the long wavelength, radial electric field must remain undetermined to the order the equation is obtained. Another reference [W. W. Lee and R. A. Kolesnikov, Phys. Plasmas 16, 044506 (2009)] criticizes these results by arguing that the higher order terms neglected in the most common gyrokinetic Poisson equation are formally smaller than the terms that are retained. This argument is flawed and ignores that the lower order terms, although formally larger, must cancel without determining the long wavelength, radial electric field. The reason for this cancellation is discussed. In addition, the origin of a nonlinear term present in the gyrokinetic Poisson equation [F. I. Parra and P. J. Catto, Plasma Phys. Controlled Fusion 50, 065014 (2008)] is explained.

A modified SOR method for the Poisson equation in unsteady free-surface flow calculations.

NARCIS (Netherlands)

Botta, E.F.F.; Ellenbroek, Marcellinus Hermannus Maria

1985-01-01

Convergence difficulties that sometimes occur if the successive overrelaxation (SOR) method is applied to the Poisson equation on a region with irregular free boundaries are analyzed. It is shown that these difficulties are related to the treatment of the free boundaries and caused by the appearance

Finite difference method and algebraic polynomial interpolation for numerically solving Poisson's equation over arbitrary domains

Directory of Open Access Journals (Sweden)

Tsugio Fukuchi

2014-06-01

Full Text Available The finite difference method (FDM based on Cartesian coordinate systems can be applied to numerical analyses over any complex domain. A complex domain is usually taken to mean that the geometry of an immersed body in a fluid is complex; here, it means simply an analytical domain of arbitrary configuration. In such an approach, we do not need to treat the outer and inner boundaries differently in numerical calculations; both are treated in the same way. Using a method that adopts algebraic polynomial interpolations in the calculation around near-wall elements, all the calculations over irregular domains reduce to those over regular domains. Discretization of the space differential in the FDM is usually derived using the Taylor series expansion; however, if we use the polynomial interpolation systematically, exceptional advantages are gained in deriving high-order differences. In using the polynomial interpolations, we can numerically solve the Poisson equation freely over any complex domain. Only a particular type of partial differential equation, Poisson's equations, is treated; however, the arguments put forward have wider generality in numerical calculations using the FDM.

A Hartree-Fock-Slater-Boltzmann-Saha method for detailed atomic structure and equation of state of plasmas

International Nuclear Information System (INIS)

Jiang Minhao; Meng Xujun

2005-01-01

The effect of the free electron background in plasmas is introduced in Hartree-Fock-Slater self-consistent field atomic model to correct the single electron energies for each electron configuration, and to provide accurate atomic data for Boltzmann-Saha equation. In the iteration process chemical potential is adjusted to change the free electron background to satisfy simultaneously the conservation of the free electrons in Saha equation as well as in Hartree-Fock-Slater self-consistent field atomic model. As examples the equations of state of the carbon and aluminum plasmas are calculated to show the applicability of this method. (authors)

A Stabilized Finite Element Method for Modified Poisson-Nernst-Planck Equations to Determine Ion Flow Through a Nanopore

Science.gov (United States)

Chaudhry, Jehanzeb Hameed; Comer, Jeffrey; Aksimentiev, Aleksei; Olson, Luke N.

2013-01-01

The conventional Poisson-Nernst-Planck equations do not account for the finite size of ions explicitly. This leads to solutions featuring unrealistically high ionic concentrations in the regions subject to external potentials, in particular, near highly charged surfaces. A modified form of the Poisson-Nernst-Planck equations accounts for steric effects and results in solutions with finite ion concentrations. Here, we evaluate numerical methods for solving the modified Poisson-Nernst-Planck equations by modeling electric field-driven transport of ions through a nanopore. We describe a novel, robust finite element solver that combines the applications of the Newton's method to the nonlinear Galerkin form of the equations, augmented with stabilization terms to appropriately handle the drift-diffusion processes. To make direct comparison with particle-based simulations possible, our method is specifically designed to produce solutions under periodic boundary conditions and to conserve the number of ions in the solution domain. We test our finite element solver on a set of challenging numerical experiments that include calculations of the ion distribution in a volume confined between two charged plates, calculations of the ionic current though a nanopore subject to an external electric field, and modeling the effect of a DNA molecule on the ion concentration and nanopore current. PMID:24363784

Transition flow ion transport via integral Boltzmann equation

International Nuclear Information System (INIS)

Darcie, T.E.

1983-10-01

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

An inverse source problem of the Poisson equation with Cauchy data

Directory of Open Access Journals (Sweden)

Ji-Chuan Liu

2017-05-01

Full Text Available In this article, we study an inverse source problem of the Poisson equation with Cauchy data. We want to find iterative algorithms to detect the hidden source within a body from measurements on the boundary. Our goal is to reconstruct the location, the size and the shape of the hidden source. This problem is ill-posed, regularization techniques should be employed to obtain the regularized solution. Numerical examples show that our proposed algorithms are valid and effective.

Poisson Stochastic Process and Basic Schauder and Sobolev Estimates in the Theory of Parabolic Equations

Science.gov (United States)

Krylov, N. V.; Priola, E.

2017-09-01

We show, among other things, how knowing Schauder or Sobolev-space estimates for the one-dimensional heat equation allows one to derive their multidimensional analogs for equations with coefficients depending only on the time variable with the same constants as in the case of the one-dimensional heat equation. The method is quite general and is based on using the Poisson stochastic process. It also applies to equations involving non-local operators. It looks like no other methods are available at this time and it is a very challenging problem to find a purely analytical approach to proving such results.

Transport Equations Resolution By N-BEE Anti-Dissipative Scheme In 2D Model Of Low Pressure Glow Discharge

International Nuclear Information System (INIS)

Kraloua, B.; Hennad, A.

2008-01-01

The aim of this paper is to determine electric and physical properties by 2D modelling of glow discharge low pressure in continuous regime maintained by term constant source. This electric discharge is confined in reactor plan-parallel geometry. This reactor is filled by Argon monatomic gas. Our continuum model the order two is composed the first three moments the Boltzmann's equations coupled with Poisson's equation by self consistent method. These transport equations are discretized by the finite volumes method. The equations system is resolved by a new technique, it is about the N-BEE explicit scheme using the time splitting method.

Statistical shape analysis using 3D Poisson equation--A quantitatively validated approach.

Science.gov (United States)

Gao, Yi; Bouix, Sylvain

2016-05-01

Statistical shape analysis has been an important area of research with applications in biology, anatomy, neuroscience, agriculture, paleontology, etc. Unfortunately, the proposed methods are rarely quantitatively evaluated, and as shown in recent studies, when they are evaluated, significant discrepancies exist in their outputs. In this work, we concentrate on the problem of finding the consistent location of deformation between two population of shapes. We propose a new shape analysis algorithm along with a framework to perform a quantitative evaluation of its performance. Specifically, the algorithm constructs a Signed Poisson Map (SPoM) by solving two Poisson equations on the volumetric shapes of arbitrary topology, and statistical analysis is then carried out on the SPoMs. The method is quantitatively evaluated on synthetic shapes and applied on real shape data sets in brain structures. Copyright © 2016 Elsevier B.V. All rights reserved.

Revisiting Wiedemann-Franz law through Boltzmann transport equations and ab-initio density functional theory

Science.gov (United States)

Nag, Abhinav; Kumari, Anuja; Kumar, Jagdish

2018-05-01

We have investigated structural, electronic and transport properties of the alkali metals using ab-initio density functional theory. The electron energy dispersions are found parabolic free electron like which is expected for alkali metals. The lattice constants for all the studied metals are also in good agreement within 98% with experiments. We have further computed their transport properties using semi-classical Boltzmann transport equations with special focus on electrical and thermal conductivity. Our objective was to obtain Wiedemann-Franz law and hence Lorenz number. The motivation to do these calculations is to see that how the incorporation of different interactions such as electron-lattice, electron-electron interaction affect the Wiedeman-Franz law. By solving Boltzmann transport equations, we have obtained electrical conductivity (σ/τ) and thermal conductivity (κ0 /τ) at different temperatures and then calculated Lorenz number using L = κ0 /(σT). The obtained value of Lorenz number has been found to match with value derived for free electron Fermi gas 2.44× 10-8 WΩK-2. Our results prove that the Wiedemann-Franz law as derived for free electron gas does not change much for alkali metals, even when one incorporates interaction of electrons with atomic nuclei and other electrons. However, at lower temperatures, the Lorenz number, was found to be deviating from its theoretical value.

Poisson hierarchy of discrete strings

International Nuclear Information System (INIS)

Ioannidou, Theodora; Niemi, Antti J.

2016-01-01

The Poisson geometry of a discrete string in three dimensional Euclidean space is investigated. For this the Frenet frames are converted into a spinorial representation, the discrete spinor Frenet equation is interpreted in terms of a transfer matrix formalism, and Poisson brackets are introduced in terms of the spinor components. The construction is then generalised, in a self-similar manner, into an infinite hierarchy of Poisson algebras. As an example, the classical Virasoro (Witt) algebra that determines reparametrisation diffeomorphism along a continuous string, is identified as a particular sub-algebra, in the hierarchy of the discrete string Poisson algebra. - Highlights: • Witt (classical Virasoro) algebra is derived in the case of discrete string. • Infinite dimensional hierarchy of Poisson bracket algebras is constructed for discrete strings. • Spinor representation of discrete Frenet equations is developed.

Poisson hierarchy of discrete strings

Energy Technology Data Exchange (ETDEWEB)

Ioannidou, Theodora, E-mail: ti3@auth.gr [Faculty of Civil Engineering, School of Engineering, Aristotle University of Thessaloniki, 54249, Thessaloniki (Greece); Niemi, Antti J., E-mail: Antti.Niemi@physics.uu.se [Department of Physics and Astronomy, Uppsala University, P.O. Box 803, S-75108, Uppsala (Sweden); Laboratoire de Mathematiques et Physique Theorique CNRS UMR 6083, Fédération Denis Poisson, Université de Tours, Parc de Grandmont, F37200, Tours (France); Department of Physics, Beijing Institute of Technology, Haidian District, Beijing 100081 (China)

2016-01-28

The Poisson geometry of a discrete string in three dimensional Euclidean space is investigated. For this the Frenet frames are converted into a spinorial representation, the discrete spinor Frenet equation is interpreted in terms of a transfer matrix formalism, and Poisson brackets are introduced in terms of the spinor components. The construction is then generalised, in a self-similar manner, into an infinite hierarchy of Poisson algebras. As an example, the classical Virasoro (Witt) algebra that determines reparametrisation diffeomorphism along a continuous string, is identified as a particular sub-algebra, in the hierarchy of the discrete string Poisson algebra. - Highlights: • Witt (classical Virasoro) algebra is derived in the case of discrete string. • Infinite dimensional hierarchy of Poisson bracket algebras is constructed for discrete strings. • Spinor representation of discrete Frenet equations is developed.

Relative and Absolute Error Control in a Finite-Difference Method Solution of Poisson's Equation

Science.gov (United States)

Prentice, J. S. C.

2012-01-01

An algorithm for error control (absolute and relative) in the five-point finite-difference method applied to Poisson's equation is described. The algorithm is based on discretization of the domain of the problem by means of three rectilinear grids, each of different resolution. We discuss some hardware limitations associated with the algorithm,…

A high order multi-resolution solver for the Poisson equation with application to vortex methods

DEFF Research Database (Denmark)

Hejlesen, Mads Mølholm; Spietz, Henrik Juul; Walther, Jens Honore

A high order method is presented for solving the Poisson equation subject to mixed free-space and periodic boundary conditions by using fast Fourier transforms (FFT). The high order convergence is achieved by deriving mollified Green’s functions from a high order regularization function which...

A vectorized Poisson solver over a spherical shell and its application to the quasi-geostrophic omega-equation

Science.gov (United States)

Mullenmeister, Paul

1988-01-01

The quasi-geostrophic omega-equation in flux form is developed as an example of a Poisson problem over a spherical shell. Solutions of this equation are obtained by applying a two-parameter Chebyshev solver in vector layout for CDC 200 series computers. The performance of this vectorized algorithm greatly exceeds the performance of its scalar analog. The algorithm generates solutions of the omega-equation which are compared with the omega fields calculated with the aid of the mass continuity equation.

A Generalized FDM for solving the Poisson's Equation on 3D Irregular Domains

Directory of Open Access Journals (Sweden)

J. Izadian

2014-01-01

Full Text Available In this paper a new method for solving the Poisson's equation with Dirichlet conditions on irregular domains is presented. For this purpose a generalized finite differences method is applied for numerical differentiation on irregular meshes. Three examples on cylindrical and spherical domains are considered. The numerical results are compared with analytical solution. These results show the performance and efficiency of the proposed method.

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

International Nuclear Information System (INIS)

Zheng, Lin; Zheng, Song; Zhai, Qinglan

2016-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-02-05

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

A Fortran program (RELAX3D) to solve the 3 dimensional Poisson (Laplace) equation

International Nuclear Information System (INIS)

Houtman, H.; Kost, C.J.

1983-09-01

RELAX3D is an efficient, user friendly, interactive FORTRAN program which solves the Poisson (Laplace) equation Λ 2 =p for a general 3 dimensional geometry consisting of Dirichlet and Neumann boundaries approximated to lie on a regular 3 dimensional mesh. The finite difference equations at these nodes are solved using a successive point-iterative over-relaxation method. A menu of commands, supplemented by HELP facility, controls the dynamic loading of the subroutine describing the problem case, the iterations to converge to a solution, and the contour plotting of any desired slices, etc

Response to Comment on 'On Higher-Order Corrections to Gyrokinetic Vlasov-Poisson Equations in the Long Wavelength Limit [Phys. Plasmas 16,044506 (2009)]'

International Nuclear Information System (INIS)

Lee, W.W.; Kolesnikov, R.A.

2009-01-01

We show in this Response that the nonlinear Poisson's equation in our original paper derived from the drift kinetic approach can be verified by using the nonlinear gyrokinetic Poisson's equation of Dubin et al. (Phys. Fluids 26, 3524 (1983)). This nonlinear contribution in φ 2 is indeed of the order of k # perpendicular# 4 in the long wavelength limit and remains finite for zero ion temperature, in contrast to the nonlinear term by Parra and Catto (Plasma Phys. Control. Fusion 50, 065014 (2008)), which is of the order of k # perpendicular# 2 and diverges for T i → 0. For comparison, the leading term for the gyrokinetic Poisson's equation in this limit is of the order of k # perpendicular# 2 φ.

Truncated Painleve expansion: Tanh-traveling wave solutions and reduction of sine-Poisson equation to a quadrature for stationary and nonstationary three-dimensional collisionless cold plasma

International Nuclear Information System (INIS)

Ibrahim, R. S.; El-Kalaawy, O. H.

2006-01-01

The relativistic nonlinear self-consistent equations for a collisionless cold plasma with stationary ions [R. S. Ibrahim, IMA J. Appl. Math. 68, 523 (2003)] are extended to 3 and 3+1 dimensions. The resulting system of equations is reduced to the sine-Poisson equation. The truncated Painleve expansion and reduction of the partial differential equation to a quadrature problem (RQ method) are described and applied to obtain the traveling wave solutions of the sine-Poisson equation for stationary and nonstationary equations in 3 and 3+1 dimensions describing the charge-density equilibrium configuration model

Geometric discretization of the multidimensional Dirac delta distribution - Application to the Poisson equation with singular source terms

Science.gov (United States)

Egan, Raphael; Gibou, Frédéric

2017-10-01

We present a discretization method for the multidimensional Dirac distribution. We show its applicability in the context of integration problems, and for discretizing Dirac-distributed source terms in Poisson equations with constant or variable diffusion coefficients. The discretization is cell-based and can thus be applied in a straightforward fashion to Quadtree/Octree grids. The method produces second-order accurate results for integration. Superlinear convergence is observed when it is used to model Dirac-distributed source terms in Poisson equations: the observed order of convergence is 2 or slightly smaller. The method is consistent with the discretization of Dirac delta distribution for codimension one surfaces presented in [1,2]. We present Quadtree/Octree construction procedures to preserve convergence and present various numerical examples, including multi-scale problems that are intractable with uniform grids.

Simulation of Cavity Flow by the Lattice Boltzmann Method using Multiple-Relaxation-Time scheme

International Nuclear Information System (INIS)

Ryu, Seung Yeob; Kang, Ha Nok; Seo, Jae Kwang; Yun, Ju Hyeon; Zee, Sung Quun

2006-01-01

Recently, the lattice Boltzmann method(LBM) has gained much attention for its ability to simulate fluid flows, and for its potential advantages over 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 pressure, and (3) ease with multiphase flows, complex geometries and interfacial dynamics may be treated. The LBM using relaxation technique was introduced by Higuerea and Jimenez to overcome some drawbacks of lattice gas automata(LGA) such as large statistical noise, limited range of physical parameters, non- Galilean invariance, and implementation difficulty in three-dimensional problem. The simplest LBM is the lattice Bhatnager-Gross-Krook(LBGK) equation, which based on a single-relaxation-time(SRT) approximation. Due to its extreme simplicity, the lattice BGK(LBGK) equation has become the most popular lattice Boltzmann model in spite of its well-known deficiencies, for example, in simulating high-Reynolds numbers flow. The Multiple-Relaxation-Time(MRT) LBM was originally developed by D'Humieres. Lallemand and Luo suggests that the use of a Multiple-Relaxation-Time(MRT) models are much more stable than LBGK, because the different relaxation times can be individually tuned to achieve 'optimal' stability. A lid-driven cavity flow is selected as the test problem because it has geometrically singular points in the flow, but geometrically simple. Results are compared with those using SRT, MRT model in the LBGK method and previous simulation data using Navier-Stokes equations for the same flow conditions. In summary, LBM using MRT model introduces much less spatial oscillations near geometrical singular points, which is important for the successful simulation of higher Reynolds number flows

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

Energy Technology Data Exchange (ETDEWEB)

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

2003-07-01

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

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

Science.gov (United States)

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

2017-11-01

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

Discrete maximum principle for Poisson equation with mixed boundary conditions solved by hp-FEM

Czech Academy of Sciences Publication Activity Database

Vejchodský, Tomáš; Šolín, P.

2009-01-01

Roč. 1, č. 2 (2009), s. 201-214 ISSN 2070-0733 R&D Projects: GA AV ČR IAA100760702; GA ČR(CZ) GA102/07/0496; GA ČR GA102/05/0629 Institutional research plan: CEZ:AV0Z10190503 Keywords : discrete maximum principle * hp-FEM * Poisson equation * mixed boundary conditions Subject RIV: BA - General Mathematics

Stochastic foundations of undulatory transport phenomena: generalized Poisson-Kac processes—part III extensions and applications to kinetic theory and transport

Science.gov (United States)

Giona, Massimiliano; Brasiello, Antonio; Crescitelli, Silvestro

2017-08-01

This third part extends the theory of Generalized Poisson-Kac (GPK) processes to nonlinear stochastic models and to a continuum of states. Nonlinearity is treated in two ways: (i) as a dependence of the parameters (intensity of the stochastic velocity, transition rates) of the stochastic perturbation on the state variable, similarly to the case of nonlinear Langevin equations, and (ii) as the dependence of the stochastic microdynamic equations of motion on the statistical description of the process itself (nonlinear Fokker-Planck-Kac models). Several numerical and physical examples illustrate the theory. Gathering nonlinearity and a continuum of states, GPK theory provides a stochastic derivation of the nonlinear Boltzmann equation, furnishing a positive answer to the Kac’s program in kinetic theory. The transition from stochastic microdynamics to transport theory within the framework of the GPK paradigm is also addressed.

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.)

General form of the Euler-Poisson-Darboux equation and application of the transmutation method

Directory of Open Access Journals (Sweden)

Elina L. Shishkina

2017-07-01

Full Text Available In this article, we find solution representations in the compact integral form to the Cauchy problem for a general form of the Euler-Poisson-Darboux equation with Bessel operators via generalized translation and spherical mean operators for all values of the parameter k, including also not studying before exceptional odd negative values. We use a Hankel transform method to prove results in a unified way. Under additional conditions we prove that a distributional solution is a classical one too. A transmutation property for connected generalized spherical mean is proved and importance of applying transmutation methods for differential equations with Bessel operators is emphasized. The paper also contains a short historical introduction on differential equations with Bessel operators and a rather detailed reference list of monographs and papers on mathematical theory and applications of this class of differential equations.

A simple Boltzmann transport equation for ballistic to diffusive transient heat transport

International Nuclear Information System (INIS)

Maassen, Jesse; Lundstrom, Mark

2015-01-01

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

Analytic Approximation of the Solutions of Stochastic Differential Delay Equations with Poisson Jump and Markovian Switching

Directory of Open Access Journals (Sweden)

Hua Yang

2012-01-01

Full Text Available We are concerned with the stochastic differential delay equations with Poisson jump and Markovian switching (SDDEsPJMSs. Most SDDEsPJMSs cannot be solved explicitly as stochastic differential equations. Therefore, numerical solutions have become an important issue in the study of SDDEsPJMSs. The key contribution of this paper is to investigate the strong convergence between the true solutions and the numerical solutions to SDDEsPJMSs when the drift and diffusion coefficients are Taylor approximations.

Classical r-matrices and Poisson bracket structures on infinite-dimensional groups

International Nuclear Information System (INIS)

Aratyn, H.; Nissimov, E.; Pacheva, S.

1992-01-01

Starting with a canonical symplectic structure defined on the contangent bundle T * G we derive, via Dirac hamiltonian reduction, Poisson brackets (PBs) on an arbitrary infinite-dimensional group G (admitting central extension). The PB structures are given in terms of an r-operator kernel related to the two-cocycle of the underlying Lie algebra and satisfying a differential classical Yang-Baxter equation. The explicit expressions of the PBs among the group variables for the (N, 0) for N=0, 1, ..., 4 (super-) Virasoro groups and the group of area-preserving diffeomorphisms on the torus are presented. (orig.)

The Fractional Poisson Process and the Inverse Stable Subordinator

OpenAIRE

Meerschaert, Mark; Nane, Erkan; Vellaisamy, P.

2011-01-01

The fractional Poisson process is a renewal process with Mittag-Leffler waiting times. Its distributions solve a time-fractional analogue of the Kolmogorov forward equation for a Poisson process. This paper shows that a traditional Poisson process, with the time variable replaced by an independent inverse stable subordinator, is also a fractional Poisson process. This result unifies the two main approaches in the stochastic theory of time-fractional diffusion equations. The equivalence extend...

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

International Nuclear Information System (INIS)

Morel, J.E.

1987-01-01

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

Transport of Multivalent Electrolyte Mixtures in Micro- and Nanochannels

Science.gov (United States)

2013-11-08

equations for this process are the unsteady Navier-Stokes equations along with continuity and the Poisson- Nernst -Planck system for the electro- static part...about five times the Debye screening length D (the 1/e lengthscale for the potential from the solution of the linearized Poisson- Boltzmann equation

Singular Poisson tensors

International Nuclear Information System (INIS)

Littlejohn, R.G.

1982-01-01

The Hamiltonian structures discovered by Morrison and Greene for various fluid equations were obtained by guessing a Hamiltonian and a suitable Poisson bracket formula, expressed in terms of noncanonical (but physical) coordinates. In general, such a procedure for obtaining a Hamiltonian system does not produce a Hamiltonian phase space in the usual sense (a symplectic manifold), but rather a family of symplectic manifolds. To state the matter in terms of a system with a finite number of degrees of freedom, the family of symplectic manifolds is parametrized by a set of Casimir functions, which are characterized by having vanishing Poisson brackets with all other functions. The number of independent Casimir functions is the corank of the Poisson tensor J/sup ij/, the components of which are the Poisson brackets of the coordinates among themselves. Thus, these Casimir functions exist only when the Poisson tensor is singular

New Monte Carlo approach to the adjoint Boltzmann equation

International Nuclear Information System (INIS)

De Matteis, A.; Simonini, R.

1978-01-01

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

A lattice Boltzmann model for solute transport in open channel flow

Science.gov (United States)

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

2018-01-01

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

On Stable Wall Boundary Conditions for the Hermite Discretization of the Linearised Boltzmann Equation

Science.gov (United States)

Sarna, Neeraj; Torrilhon, Manuel

2018-01-01

We define certain criteria, using the characteristic decomposition of the boundary conditions and energy estimates, which a set of stable boundary conditions for a linear initial boundary value problem, involving a symmetric hyperbolic system, must satisfy. We first use these stability criteria to show the instability of the Maxwell boundary conditions proposed by Grad (Commun Pure Appl Math 2(4):331-407, 1949). We then recognise a special block structure of the moment equations which arises due to the recursion relations and the orthogonality of the Hermite polynomials; the block structure will help us in formulating stable boundary conditions for an arbitrary order Hermite discretization of the Boltzmann equation. The formulation of stable boundary conditions relies upon an Onsager matrix which will be constructed such that the newly proposed boundary conditions stay close to the Maxwell boundary conditions at least in the lower order moments.

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

Science.gov (United States)

Zhang, Chuang; Guo, Zhaoli; Chen, Songze

2017-12-01

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

Poisson solvers for self-consistent multi-particle simulations

International Nuclear Information System (INIS)

Qiang, J; Paret, S

2014-01-01

Self-consistent multi-particle simulation plays an important role in studying beam-beam effects and space charge effects in high-intensity beams. The Poisson equation has to be solved at each time-step based on the particle density distribution in the multi-particle simulation. In this paper, we review a number of numerical methods that can be used to solve the Poisson equation efficiently. The computational complexity of those numerical methods will be O(N log(N)) or O(N) instead of O(N2), where N is the total number of grid points used to solve the Poisson equation

Quasistationary model of high-current relativistic electron beam. 1. Exact solution of Poisson equations

International Nuclear Information System (INIS)

Brenner, S.E.; Gandyl', E.M.; Podkopaev, A.P.

1995-01-01

The dynamics of high-current relativistic electron beam moving trough the cylindrical drift space has been modelled by the large particles, the shape of which allows to solve the Poisson equations exactly, and in such a way to avoid the linearization being usually used in those problems. The expressions for the components of own electric field of electron beam passing through the cylindrical drift space have been obtained. (author). 11 refs., 1 fig

Lattice Boltzmann simulation of antiplane shear loading of a stationary crack

Science.gov (United States)

Schlüter, Alexander; Kuhn, Charlotte; Müller, Ralf

2018-01-01

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

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

Science.gov (United States)

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

2018-03-01

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

Poisson equations of rotational motion for a rigid triaxial body with application to a tumbling artificial satellite

Science.gov (United States)

Liu, J. J. F.; Fitzpatrick, P. M.

1975-01-01

A mathematical model is developed for studying the effects of gravity gradient torque on the attitude stability of a tumbling triaxial rigid satellite. Poisson equations are used to investigate the rotation of the satellite (which is in elliptical orbit about an attracting point mass) about its center of mass. An averaging method is employed to obtain an intermediate set of differential equations for the nonresonant, secular behavior of the osculating elements which describe the rotational motions of the satellite, and the averaged equations are then integrated to obtain long-term secular solutions for the osculating elements.

Monte Carlo variance reduction approaches for non-Boltzmann tallies

International Nuclear Information System (INIS)

Booth, T.E.

1992-12-01

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

Use of the Boltzmann equation for calculating the scattering law in gas mixtures

International Nuclear Information System (INIS)

Eder, O.J.; Lackner, T.

1989-01-01

A new approach is presented for the calculation of the dynamical incoherent structure factor S s (q, ω) for a dilute binary gas mixture. The starting point is the linearized one-dimensional Boltzmann equation for a mixture of particles interacting via a quasi-Maxwell potential (V(r) ≅ 1/r ν , ν=4). It is shown how - in the Fourier-Laplace space (q, ω) - the solution of the Boltzman equation can be expressed as an infinite continued fraction. The well known hydrodynamic limit (q→0) and the free gas limit (q→∞) are correctly reproduced as the appropriate limits of the continued fraction. A brief comparison between S s (q, ω) for two interaction potentials (quasi-Maxwell potential, ν=4, and hard core potential, ν=∞) is presented, and it is found that, after scaling the variables to the respective diffusion coefficients, only little dependence on the potential remains. Furthermore, for a one-component system in three dimensions results are summarized for the dynamical incoherent and coherent structure factor. (orig.) [de

Thermodynamics of Highly Concentrated Aqueous Electrolytes: Based on Boltzmann's eponymous equation

Energy Technology Data Exchange (ETDEWEB)

Ally, Moonis Raza [ORNL

2018-05-01

This sharply focused book invites the reader to explore the chemical thermodynamics of highly concentrated aqueous electrolytes from a different vantage point than traditional methods. The book's foundation is deeply rooted in Ludwig Boltzmann's eponymous equation. The pathway from micro to macro thermodynamics is explained heuristically, in a step-by-step approach. Concepts and mathematical formalism are explained in detail to captivate and maintain interest as the algebra twists and turns. Every significant result is derived in a lucid and piecemeal fashion. Application of the theory is exemplified with examples. It is amazing to realize that Boltamann's simple equation contains sufficient information from which such an elaborate theory can emerge. This book is suitable for undergraduate and graduate level classes in chemical engineering, chemistry, geochemistry, environmental sciences, and those studying aerosol particles in the troposphere. Students interested in understanding how thermodynamic theories may be developed would be inspired by the methodology. The author wishes that readers get as much excitement reading this book as he did writing it.

Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

International Nuclear Information System (INIS)

Sherrill, M.E.; Abdallah, J. Jr.; Csanak, G.; Kilcrease, D.P.; Dodd, E.S.; Fukuda, Y.; Akahane, Y.; Aoyama, M.; Inoue, N.; Ueda, H.; Yamakawa, K.; Faenov, A.Ya.; Magunov, A.I.; Pikuz, T.A.; Skobelev, I.Yu.

2006-01-01

In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He α spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model

Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

Energy Technology Data Exchange (ETDEWEB)

Sherrill, M.E. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States)]. E-mail: manolo@t4.lanl.gov; Abdallah, J. Jr. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Csanak, G. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Kilcrease, D.P. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Dodd, E.S. [Los Alamos National Laboratory, X-1, Los Alamos, NM 87545 (United States); Fukuda, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Akahane, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Aoyama, M. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Inoue, N. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Ueda, H. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Yamakawa, K. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Faenov, A.Ya. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Magunov, A.I. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Pikuz, T.A. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Skobelev, I.Yu. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation)

2006-05-15

In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He{sub {alpha}} spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model.

A Finite Element Solution of Lateral Periodic Poisson–Boltzmann Model for Membrane Channel Proteins

Science.gov (United States)

Xu, Jingjie; Lu, Benzhuo

2018-01-01

Membrane channel proteins control the diffusion of ions across biological membranes. They are closely related to the processes of various organizational mechanisms, such as: cardiac impulse, muscle contraction and hormone secretion. Introducing a membrane region into implicit solvation models extends the ability of the Poisson–Boltzmann (PB) equation to handle membrane proteins. The use of lateral periodic boundary conditions can properly simulate the discrete distribution of membrane proteins on the membrane plane and avoid boundary effects, which are caused by the finite box size in the traditional PB calculations. In this work, we: (1) develop a first finite element solver (FEPB) to solve the PB equation with a two-dimensional periodicity for membrane channel proteins, with different numerical treatments of the singular charges distributions in the channel protein; (2) add the membrane as a dielectric slab in the PB model, and use an improved mesh construction method to automatically identify the membrane channel/pore region even with a tilt angle relative to the z-axis; and (3) add a non-polar solvation energy term to complete the estimation of the total solvation energy of a membrane protein. A mesh resolution of about 0.25 Å (cubic grid space)/0.36 Å (tetrahedron edge length) is found to be most accurate in linear finite element calculation of the PB solvation energy. Computational studies are performed on a few exemplary molecules. The results indicate that all factors, the membrane thickness, the length of periodic box, membrane dielectric constant, pore region dielectric constant, and ionic strength, have individually considerable influence on the solvation energy of a channel protein. This demonstrates the necessity to treat all of those effects in the PB model for membrane protein simulations. PMID:29495644

Multivariate fractional Poisson processes and compound sums

OpenAIRE

Beghin, Luisa; Macci, Claudio

2015-01-01

In this paper we present multivariate space-time fractional Poisson processes by considering common random time-changes of a (finite-dimensional) vector of independent classical (non-fractional) Poisson processes. In some cases we also consider compound processes. We obtain some equations in terms of some suitable fractional derivatives and fractional difference operators, which provides the extension of known equations for the univariate processes.

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

International Nuclear Information System (INIS)

Farrell, Patricio; Koprucki, Thomas; Fuhrmann, Jürgen

2017-01-01

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

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

Science.gov (United States)

Farrell, Patricio; Koprucki, Thomas; Fuhrmann, Jürgen

2017-10-01

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

An exterior Poisson solver using fast direct methods and boundary integral equations with applications to nonlinear potential flow

Science.gov (United States)

Young, D. P.; Woo, A. C.; Bussoletti, J. E.; Johnson, F. T.

1986-01-01

A general method is developed combining fast direct methods and boundary integral equation methods to solve Poisson's equation on irregular exterior regions. The method requires O(N log N) operations where N is the number of grid points. Error estimates are given that hold for regions with corners and other boundary irregularities. Computational results are given in the context of computational aerodynamics for a two-dimensional lifting airfoil. Solutions of boundary integral equations for lifting and nonlifting aerodynamic configurations using preconditioned conjugate gradient are examined for varying degrees of thinness.

Non-isothermal Smoluchowski-Poisson equation as a singular limit of the Navier-Stokes-Fourier-Poisson system

Czech Academy of Sciences Publication Activity Database

Feireisl, Eduard; Laurençot, P.

2007-01-01

Roč. 88, - (2007), s. 325-349 ISSN 0021-7824 R&D Projects: GA ČR GA201/05/0164 Institutional research plan: CEZ:AV0Z10190503 Keywords : Navier-Stokes-Fourier- Poisson system * Smoluchowski- Poisson system * singular limit Subject RIV: BA - General Mathematics Impact factor: 1.118, year: 2007

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

International Nuclear Information System (INIS)

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

2002-01-01

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

Distributional Monte Carlo Methods for the Boltzmann Equation

Science.gov (United States)

2013-03-01

postulated by Ludwig Boltzmann [23] at a time when the atomic makeup of matter was not an accepted concept. Modern physics realizes Boltzmann’s vision...über Gastheorie 1898. Translated by S.G. Brush ., 1964. [24] Boyles, K.A., G.J. LeBeau, and M.A. Gallis. “DSMC Simulations in Support of the Columbia

Boltzmann's "H"-Theorem and the Assumption of Molecular Chaos

Science.gov (United States)

Boozer, A. D.

2011-01-01

We describe a simple dynamical model of a one-dimensional ideal gas and use computer simulations of the model to illustrate two fundamental results of kinetic theory: the Boltzmann transport equation and the Boltzmann "H"-theorem. Although the model is time-reversal invariant, both results predict that the behaviour of the gas is time-asymmetric.…

Boltzmann electron PIC simulation of the E-sail effect

Directory of Open Access Journals (Sweden)

P. Janhunen

2015-12-01

Full Text Available 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.

A Seemingly Unrelated Poisson Regression Model

OpenAIRE

King, Gary

1989-01-01

This article introduces a new estimator for the analysis of two contemporaneously correlated endogenous event count variables. This seemingly unrelated Poisson regression model (SUPREME) estimator combines the efficiencies created by single equation Poisson regression model estimators and insights from "seemingly unrelated" linear regression models.

A Van der Pol-Mathieu equation for the dynamics of dust grain charge in dusty plasmas

International Nuclear Information System (INIS)

Momeni, M; Kourakis, I; Moslehi-Fard, M; Shukla, P K

2007-01-01

The chaotic profile of dust grain dynamics associated with dust-acoustic oscillations in a dusty plasma is considered. The collective behaviour of the dust plasma component is described via a multi-fluid model, comprising Boltzmann distributed electrons and ions, as well as an equation of continuity possessing a source term for the dust grains, the dust momentum and Poisson's equations. A Van der Pol-Mathieu-type nonlinear ordinary differential equation for the dust grain density dynamics is derived. The dynamical system is cast into an autonomous form by employing an averaging method. Critical stability boundaries for a particular trivial solution of the governing equation with varying parameters are specified. The equation is analysed to determine the resonance region, and finally numerically solved by using a fourth-order Runge-Kutta method. The presence of chaotic limit cycles is pointed out. (fast track communication)

Lattice Boltzmann approach for complex nonequilibrium flows.

Science.gov (United States)

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

2015-10-01

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

Penyelesaian Persamaan Poisson 2D dengan Menggunakan Metode Gauss-Seidel dan Conjugate Gradien

OpenAIRE

Mahmudah, Dewi Erla; Naf'an, Muhammad Zidny

2017-01-01

In this paper we focus on solution of 2D Poisson equation numerically. 2D Poisson equation is a partial differential equation of second order elliptical type. This equation is a particular form or non-homogeneous form of the Laplace equation. The solution of 2D Poisson equation is performed numerically using Gauss Seidel method and Conjugate Gradient method. The result is the value using Gauss Seidel method and Conjugate Gradient method is same. But, consider the iteration process, the conver...

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

Science.gov (United States)

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

2017-10-01

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

High order Poisson Solver for unbounded flows

DEFF Research Database (Denmark)

Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe

2015-01-01

This paper presents a high order method for solving the unbounded Poisson equation on a regular mesh using a Green’s function solution. The high order convergence was achieved by formulating mollified integration kernels, that were derived from a filter regularisation of the solution field....... The method was implemented on a rectangular domain using fast Fourier transforms (FFT) to increase computational efficiency. The Poisson solver was extended to directly solve the derivatives of the solution. This is achieved either by including the differential operator in the integration kernel...... the equations of fluid mechanics as an example, but can be used in many physical problems to solve the Poisson equation on a rectangular unbounded domain. For the two-dimensional case we propose an infinitely smooth test function which allows for arbitrary high order convergence. Using Gaussian smoothing...

STEADY STATE AND PSEUDO-TRANSIENT ELECTRIC POTENTIAL USING THE POISSONBOLTZMANN EQUATION

Directory of Open Access Journals (Sweden)

L. C. dos Santos

2015-03-01

Full Text Available A method for analysis of the electric potential profile in saline solutions was developed for systems with one or two infinite flat plates. A modified Poisson-Boltzmann equation, taking into account nonelectrostatic interactions between ions and surfaces, was used. To solve the stated problem in the steady-state approach the finite-difference method was used. For the formulated pseudo-transient problem, we solved the set of ordinary differential equations generated from the algebraic equations of the stationary case. A case study was also carried out in relation to temperature, solution concentration, surface charge and salt-type. The results were validated by the stationary problem solution, which had also been used to verify the ionic specificity for different salts. The pseudo-transient approach allowed a better understanding of the dynamic behavior of the ion-concentration profile and other properties due to the surface charge variation.

Computational Aeroacoustics Using the Generalized Lattice Boltzmann Equation, Phase I

Data.gov (United States)

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

Celebrating Cercignani's conjecture for the Boltzmann equation

KAUST Repository

Villani, Cé dric; Mouhot, Clé ment; Desvillettes, Laurent

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.

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.

Science.gov (United States)

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J Andrew

2015-12-28

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson-Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum-Chandler-Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods.

Self-energy-modified Poisson-Nernst-Planck equations: WKB approximation and finite-difference approaches.

Science.gov (United States)

Xu, Zhenli; Ma, Manman; Liu, Pei

2014-07-01

We propose a modified Poisson-Nernst-Planck (PNP) model to investigate charge transport in electrolytes of inhomogeneous dielectric environment. The model includes the ionic polarization due to the dielectric inhomogeneity and the ion-ion correlation. This is achieved by the self energy of test ions through solving a generalized Debye-Hückel (DH) equation. We develop numerical methods for the system composed of the PNP and DH equations. Particularly, toward the numerical challenge of solving the high-dimensional DH equation, we developed an analytical WKB approximation and a numerical approach based on the selective inversion of sparse matrices. The model and numerical methods are validated by simulating the charge diffusion in electrolytes between two electrodes, for which effects of dielectrics and correlation are investigated by comparing the results with the prediction by the classical PNP theory. We find that, at the length scale of the interface separation comparable to the Bjerrum length, the results of the modified equations are significantly different from the classical PNP predictions mostly due to the dielectric effect. It is also shown that when the ion self energy is in weak or mediate strength, the WKB approximation presents a high accuracy, compared to precise finite-difference results.

A fast Poisson solver for unsteady incompressible Navier-Stokes equations on the half-staggered grid

Science.gov (United States)

Golub, G. H.; Huang, L. C.; Simon, H.; Tang, W. -P.

1995-01-01

In this paper, a fast Poisson solver for unsteady, incompressible Navier-Stokes equations with finite difference methods on the non-uniform, half-staggered grid is presented. To achieve this, new algorithms for diagonalizing a semi-definite pair are developed. Our fast solver can also be extended to the three dimensional case. The motivation and related issues in using this second kind of staggered grid are also discussed. Numerical testing has indicated the effectiveness of this algorithm.

Quantitative Pointwise Estimate of the Solution of the Linearized Boltzmann Equation

Science.gov (United States)

Lin, Yu-Chu; Wang, Haitao; Wu, Kung-Chien

2018-04-01

We study the quantitative pointwise behavior of the solutions of the linearized Boltzmann equation for hard potentials, Maxwellian molecules and soft potentials, with Grad's angular cutoff assumption. More precisely, for solutions inside the finite Mach number region (time like region), we obtain the pointwise fluid structure for hard potentials and Maxwellian molecules, and optimal time decay in the fluid part and sub-exponential time decay in the non-fluid part for soft potentials. For solutions outside the finite Mach number region (space like region), we obtain sub-exponential decay in the space variable. The singular wave estimate, regularization estimate and refined weighted energy estimate play important roles in this paper. Our results extend the classical results of Liu and Yu (Commun Pure Appl Math 57:1543-1608, 2004), (Bull Inst Math Acad Sin 1:1-78, 2006), (Bull Inst Math Acad Sin 6:151-243, 2011) and Lee et al. (Commun Math Phys 269:17-37, 2007) to hard and soft potentials by imposing suitable exponential velocity weight on the initial condition.

Quantitative Pointwise Estimate of the Solution of the Linearized Boltzmann Equation

Science.gov (United States)

Lin, Yu-Chu; Wang, Haitao; Wu, Kung-Chien

2018-06-01

We study the quantitative pointwise behavior of the solutions of the linearized Boltzmann equation for hard potentials, Maxwellian molecules and soft potentials, with Grad's angular cutoff assumption. More precisely, for solutions inside the finite Mach number region (time like region), we obtain the pointwise fluid structure for hard potentials and Maxwellian molecules, and optimal time decay in the fluid part and sub-exponential time decay in the non-fluid part for soft potentials. For solutions outside the finite Mach number region (space like region), we obtain sub-exponential decay in the space variable. The singular wave estimate, regularization estimate and refined weighted energy estimate play important roles in this paper. Our results extend the classical results of Liu and Yu (Commun Pure Appl Math 57:1543-1608, 2004), (Bull Inst Math Acad Sin 1:1-78, 2006), (Bull Inst Math Acad Sin 6:151-243, 2011) and Lee et al. (Commun Math Phys 269:17-37, 2007) to hard and soft potentials by imposing suitable exponential velocity weight on the initial condition.

Poisson's ratio of fiber-reinforced composites

Science.gov (United States)

Christiansson, Henrik; Helsing, Johan

1996-05-01

Poisson's ratio flow diagrams, that is, the Poisson's ratio versus the fiber fraction, are obtained numerically for hexagonal arrays of elastic circular fibers in an elastic matrix. High numerical accuracy is achieved through the use of an interface integral equation method. Questions concerning fixed point theorems and the validity of existing asymptotic relations are investigated and partially resolved. Our findings for the transverse effective Poisson's ratio, together with earlier results for random systems by other authors, make it possible to formulate a general statement for Poisson's ratio flow diagrams: For composites with circular fibers and where the phase Poisson's ratios are equal to 1/3, the system with the lowest stiffness ratio has the highest Poisson's ratio. For other choices of the elastic moduli for the phases, no simple statement can be made.

First error bounds for the porous media approximation of the Poisson-Nernst-Planck equations

Energy Technology Data Exchange (ETDEWEB)

Schmuck, Markus [Imperial College, London (United Kingdom). Depts. of Chemical Engineering and Mathematics

2012-04-15

We study the well-accepted Poisson-Nernst-Planck equations modeling transport of charged particles. By formal multiscale expansions we rederive the porous media formulation obtained by two-scale convergence in [42, 43]. The main result is the derivation of the error which occurs after replacing a highly heterogeneous solid-electrolyte composite by a homogeneous one. The derived estimates show that the approximation errors for both, the ion densities quantified in L{sup 2}-norm and the electric potential measured in H{sup 1}-norm, are of order O(s{sup 1/2}). (orig.)

Development of kinetics equations from the Boltzmann equation; Etablissement des equations de la cinetique a partir de l'equation de Boltzmann

Energy Technology Data Exchange (ETDEWEB)

Plas, R.

1962-07-01

The author reports a study on kinetics equations for a reactor. He uses the conventional form of these equations but by using a dynamic multiplication factor. Thus, constants related to delayed neutrons are not modified by efficiency factors. The author first describes the theoretic kinetic operation of a reactor and develops the associated equations. He reports the development of equations for multiplication factors.

Finite difference numerical method for the superlattice Boltzmann transport equation and case comparison of CPU(C) and GPU(CUDA) implementations

Energy Technology Data Exchange (ETDEWEB)

Priimak, Dmitri

2014-12-01

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 optimisation techniques.

Finite difference numerical method for the superlattice Boltzmann transport equation and case comparison of CPU(C) and GPU(CUDA) implementations

International Nuclear Information System (INIS)

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 optimisation techniques

A node-centered local refinement algorithm for poisson's equation in complex geometries

International Nuclear Information System (INIS)

McCorquodale, Peter; Colella, Phillip; Grote, David P.; Vay, Jean-Luc

2004-01-01

This paper presents a method for solving Poisson's equation with Dirichlet boundary conditions on an irregular bounded three-dimensional region. The method uses a nodal-point discretization and adaptive mesh refinement (AMR) on Cartesian grids, and the AMR multigrid solver of Almgren. The discrete Laplacian operator at internal boundaries comes from either linear or quadratic (Shortley-Weller) extrapolation, and the two methods are compared. It is shown that either way, solution error is second order in the mesh spacing. Error in the gradient of the solution is first order with linear extrapolation, but second order with Shortley-Weller. Examples are given with comparison with the exact solution. The method is also applied to a heavy-ion fusion accelerator problem, showing the advantage of adaptivity

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

Science.gov (United States)

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

2007-03-01

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

Galilean-Invariant Lattice-Boltzmann Models with H Theorem

National Research Council Canada - National Science Library

Boghosian, Bruce

2003-01-01

The authors demonstrate that the requirement of Galilean invariance determines the choice of H function for a wide class of entropic lattice-Boltzmann models for the incompressible Navier-Stokes equations...

Hodograph solutions of the dispersionless coupled KdV hierarchies, critical points and the Euler-Poisson-Darboux equation

International Nuclear Information System (INIS)

Konopelchenko, B; Alonso, L MartInez; Medina, E

2010-01-01

It is shown that the hodograph solutions of the dispersionless coupled KdV (dcKdV) hierarchies describe critical and degenerate critical points of a scalar function which obeys the Euler-Poisson-Darboux equation. Singular sectors of each dcKdV hierarchy are found to be described by solutions of higher genus dcKdV hierarchies. Concrete solutions exhibiting shock-type singularities are presented.

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

International Nuclear Information System (INIS)

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

1999-01-01

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

On a Poisson homogeneous space of bilinear forms with a Poisson-Lie action

Science.gov (United States)

Chekhov, L. O.; Mazzocco, M.

2017-12-01

Let \\mathscr A be the space of bilinear forms on C^N with defining matrices A endowed with a quadratic Poisson structure of reflection equation type. The paper begins with a short description of previous studies of the structure, and then this structure is extended to systems of bilinear forms whose dynamics is governed by the natural action A\\mapsto B ABT} of the {GL}_N Poisson-Lie group on \\mathscr A. A classification is given of all possible quadratic brackets on (B, A)\\in {GL}_N× \\mathscr A preserving the Poisson property of the action, thus endowing \\mathscr A with the structure of a Poisson homogeneous space. Besides the product Poisson structure on {GL}_N× \\mathscr A, there are two other (mutually dual) structures, which (unlike the product Poisson structure) admit reductions by the Dirac procedure to a space of bilinear forms with block upper triangular defining matrices. Further generalisations of this construction are considered, to triples (B,C, A)\\in {GL}_N× {GL}_N× \\mathscr A with the Poisson action A\\mapsto B ACT}, and it is shown that \\mathscr A then acquires the structure of a Poisson symmetric space. Generalisations to chains of transformations and to the quantum and quantum affine algebras are investigated, as well as the relations between constructions of Poisson symmetric spaces and the Poisson groupoid. Bibliography: 30 titles.

A spatially adaptive grid-refinement approach for the finite element solution of the even-parity Boltzmann transport equation

International Nuclear Information System (INIS)

Mirza, Anwar M.; Iqbal, Shaukat; Rahman, Faizur

2007-01-01

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 10 2 has been achieved using the new approach in some cases

A spatially adaptive grid-refinement approach for the finite element solution of the even-parity Boltzmann transport equation

Energy Technology Data Exchange (ETDEWEB)

Mirza, Anwar M. [Department of Computer Science, National University of Computer and Emerging Sciences, NUCES-FAST, A.K. Brohi Road, H-11, Islamabad (Pakistan)], E-mail: anwar.m.mirza@gmail.com; Iqbal, Shaukat [Faculty of Computer Science and Engineering, Ghulam Ishaq Khan (GIK) Institute of Engineering Science and Technology, Topi-23460, Swabi (Pakistan)], E-mail: shaukat@giki.edu.pk; Rahman, Faizur [Department of Physics, Allama Iqbal Open University, H-8 Islamabad (Pakistan)

2007-07-15

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{sup +} variational principle for slab geometry. The program has a core K{sup +} 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 10{sup 2} has been achieved using the new approach in some cases.

Lattice Boltzmann method for solving the bioheat equation

International Nuclear Information System (INIS)

Zhang Haifeng

2008-01-01

In this work, we develop the lattice Boltzmann method (LBM) as a potential solver for the bioheat problems. The accuracy of the present LBM algorithm is validated through comparison with the analytical solution and the finite element simulation. The results show that the LBM can give a precise prediction of the temperature distribution, and it is efficient to deal with the space- and time-dependent heat source, which are often encountered in the treatment planning of tumor hyperthermia. (note)

The Poisson equation in axisymmetric domains with conical points

International Nuclear Information System (INIS)

Nkemzi, B.

2003-01-01

This paper analyzes the application of the Fourier-finite-element method (FFEM) for the resolution of the Derichlet problem for the Poisson equation -Δu-circumflex = f-circumflex in axisymmetric domains Ω-circumflex subset of R 3 with conical points on the rotation axis. The FFEM combines the approximate Fourier method with respect to one space direction with the finite element method for the approximate calculation of the Fourier coefficients of the solution. Here, the influence of the conical points on the regularity of the Fourier coefficients of the solution is analyzed and the asymptotic behaviour of the coefficients near the conical points is described by some singularity functions and treated numerically by mesh grading in the two-dimensional meridian of Ω-circumflex. It is proved that for f-circumflex in L 2 (Ω-circumflex), the rate of convergence of the combined approximations in the Sobolev space W 2 1 (Ω-circumflex) is of the order O(h + N -1 ), where h and N represent, respectively, the parameters of the finite-element- and the Fourier-approximation, with h → 0 and n → ∞. (author)

A comparative study of the lattice Boltzmann and volume of fluid method for the rising bubble flows

Energy Technology Data Exchange (ETDEWEB)

Ryu, Seung Yeob; Park, Cheon Tae; Choi, Suhn [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2010-10-15

Recently, the lattice Boltzmann method (LBM) has gained much attention for its ability to simulate fluid flows, and for its potential advantages over a conventional CFD method. The key advantages of LBM are, (1) suitability for parallel computations, (2) absence of the need to solve the time-consuming Poisson equation for a pressure, and (3) an ease with the way multiphase flows, complex geometries and interfacial dynamics may be treated. Nevertheless, the LBM is considered as a mere alternative CFD tools, not a promising approach. The motion of the bubbles in a liquid has been the focus of both academic and practical interest. The central problem is the relationship between the rise velocity, bubble shape due to the interface deformation and flow field. The buoyancy effect due to density difference in the two phase flows is characterized with Eotvos and Morton numbers. In this study, a single bubble rising under a buoyancy is simulated with LBM and VOF based on conventional CFD method. The two simulation results are compared with the previous experiments. The main objective of the present work is to establish the lattice Boltzmann method as a viable tool for the simulation of multiphase or multi-component flows

A comparative study of the lattice Boltzmann and volume of fluid method for the rising bubble flows

International Nuclear Information System (INIS)

Ryu, Seung Yeob; Park, Cheon Tae; Choi, Suhn

2010-01-01

Recently, the lattice Boltzmann method (LBM) has gained much attention for its ability to simulate fluid flows, and for its potential advantages over a conventional CFD method. The key advantages of LBM are, (1) suitability for parallel computations, (2) absence of the need to solve the time-consuming Poisson equation for a pressure, and (3) an ease with the way multiphase flows, complex geometries and interfacial dynamics may be treated. Nevertheless, the LBM is considered as a mere alternative CFD tools, not a promising approach. The motion of the bubbles in a liquid has been the focus of both academic and practical interest. The central problem is the relationship between the rise velocity, bubble shape due to the interface deformation and flow field. The buoyancy effect due to density difference in the two phase flows is characterized with Eotvos and Morton numbers. In this study, a single bubble rising under a buoyancy is simulated with LBM and VOF based on conventional CFD method. The two simulation results are compared with the previous experiments. The main objective of the present work is to establish the lattice Boltzmann method as a viable tool for the simulation of multiphase or multi-component flows

Determination of a basic set of Eigen-functions and of the corresponding norm in the case of the one-velocity integral differential Boltzmann equation in spherical geometry

International Nuclear Information System (INIS)

Lafore, P.

1965-01-01

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) [fr

Lattice Boltzmann simulations of liquid crystalline fluids: active gels and blue phases

OpenAIRE

Cates, M. E.; Henrich, O.; Marenduzzo, D.; Stratford, K.

2010-01-01

Lattice Boltzmann simulations have become a method of choice to solve the hydrodynamic equations of motion of a number of complex fluids. Here we review some recent applications of lattice Boltzmann to study the hydrodynamics of liquid crystalline materials. In particular, we focus on the study of (a) the exotic blue phases of cholesteric liquid crystals, and (b) active gels - a model system for actin plus myosin solutions or bacterial suspensions. In both cases lattice Boltzmann studies have...

Boltzmann Oracle for Combinatorial Systems

OpenAIRE

Pivoteau , Carine; Salvy , Bruno; Soria , Michèle

2008-01-01

International audience; Boltzmann random generation applies to well-defined systems of recursive combinatorial equations. It relies on oracles giving values of the enumeration generating series inside their disk of convergence. We show that the combinatorial systems translate into numerical iteration schemes that provide such oracles. In particular, we give a fast oracle based on Newton iteration.

Solution of the equations of motion for a super non-Abelian sigma model in curved background by the super Poisson-Lie T-duality

International Nuclear Information System (INIS)

Eghbali, Ali

2015-01-01

The equations of motion of a super non-Abelian T-dual sigma model on the Lie supergroup (C_1"1+A) in the curved background are explicitly solved by the super Poisson-Lie T-duality. To find the solution of the flat model we use the transformation of supercoordinates, transforming the metric into a constant one, which is shown to be a supercanonical transformation. Then, using the super Poisson-Lie T-duality transformations and the dual decomposition of elements of Drinfel’d superdouble, the solution of the equations of motion for the dual sigma model is obtained. The general form of the dilaton fields satisfying the vanishing β−function equations of the sigma models is found. In this respect, conformal invariance of the sigma models built on the Drinfel’d superdouble ((C_1"1+A) , I_(_2_|_2_)) is guaranteed up to one-loop, at least.

Maxwell iteration for the lattice Boltzmann method with diffusive scaling

Science.gov (United States)

Zhao, Weifeng; Yong, Wen-An

2017-03-01

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

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

Science.gov (United States)

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

2014-01-01

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

The time-dependent development of electric double-layers in saline solutions

International Nuclear Information System (INIS)

Morrow, R; McKenzie, D R; Bilek, M M M

2006-01-01

We have studied the time-dependent development of electric double-layers (ionic sheaths) in saline solutions by simultaneously solving the sodium and chlorine ion continuity equations coupled with Poisson's equation in one dimension. The study of the effects of time-varying electric fields in solution is relevant to the possible health effect of radio-frequency electric fields on cells in the human body and to assessing the potential of using external electric fields to orient proteins for attachment to surfaces for biosensing applications. Our calculations, for applied voltages of 10-175 mV between the electrode and the solution, predict time scales of ∼0.1-110 μs for the formation of double-layers in solutions of concentration between 0.001 and 1.0 M. We develop an empirical equation that can predict the double-layer formation time to within 10% over this wide parameter range. The method has been validated by comparing the solutions obtained, once the program has run to a steady state, with the standard non-linear Poisson-Boltzmann equations. Excellent agreement is found with the Gouy-Chapman solution of the non-linear Poisson-Boltzmann equation. Thus the method is not restricted in accuracy and applicability as is the case for the linear Poisson-Boltzmann equation. The method can also provide solutions for cases where there are orders of magnitude changes in the ion densities; this has not been the case for previous studies where small perturbation analysis has been employed. The method developed here can readily be extended to two and three dimensions using time-splitting methods

GEPOIS: a two dimensional nonuniform mesh Poisson solver

International Nuclear Information System (INIS)

Quintenz, J.P.; Freeman, J.R.

1979-06-01

A computer code is described which solves Poisson's equation for the electric potential over a two dimensional cylindrical (r,z) nonuniform mesh which can contain internal electrodes. Poisson's equation is solved over a given region subject to a specified charge distribution with either Neumann or Dirichlet perimeter boundary conditions and with Dirichlet boundary conditions on internal surfaces. The static electric field is also computed over the region with special care given to normal electric field components at boundary surfaces

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

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El Ganaoui Mohammed

2009-01-01

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

SU-E-T-22: A Deterministic Solver of the Boltzmann-Fokker-Planck Equation for Dose Calculation

Energy Technology Data Exchange (ETDEWEB)

Hong, X; Gao, H [Shanghai Jiao Tong University, Shanghai, Shanghai (China); Paganetti, H [Massachusetts General Hospital, Boston, MA (United States)

2015-06-15

Purpose: The Boltzmann-Fokker-Planck equation (BFPE) accurately models the migration of photons/charged particles in tissues. While the Monte Carlo (MC) method is popular for solving BFPE in a statistical manner, we aim to develop a deterministic BFPE solver based on various state-of-art numerical acceleration techniques for rapid and accurate dose calculation. Methods: Our BFPE solver is based on the structured grid that is maximally parallelizable, with the discretization in energy, angle and space, and its cross section coefficients are derived or directly imported from the Geant4 database. The physical processes that are taken into account are Compton scattering, photoelectric effect, pair production for photons, and elastic scattering, ionization and bremsstrahlung for charged particles.While the spatial discretization is based on the diamond scheme, the angular discretization synergizes finite element method (FEM) and spherical harmonics (SH). Thus, SH is used to globally expand the scattering kernel and FFM is used to locally discretize the angular sphere. As a Result, this hybrid method (FEM-SH) is both accurate in dealing with forward-peaking scattering via FEM, and efficient for multi-energy-group computation via SH. In addition, FEM-SH enables the analytical integration in energy variable of delta scattering kernel for elastic scattering with reduced truncation error from the numerical integration based on the classic SH-based multi-energy-group method. Results: The accuracy of the proposed BFPE solver was benchmarked against Geant4 for photon dose calculation. In particular, FEM-SH had improved accuracy compared to FEM, while both were within 2% of the results obtained with Geant4. Conclusion: A deterministic solver of the Boltzmann-Fokker-Planck equation is developed for dose calculation, and benchmarked against Geant4. Xiang Hong and Hao Gao were partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000) and the Shanghai Pujiang

Computational time analysis of the numerical solution of 3D electrostatic Poisson's equation

Science.gov (United States)

Kamboh, Shakeel Ahmed; Labadin, Jane; Rigit, Andrew Ragai Henri; Ling, Tech Chaw; Amur, Khuda Bux; Chaudhary, Muhammad Tayyab

2015-05-01

3D Poisson's equation is solved numerically to simulate the electric potential in a prototype design of electrohydrodynamic (EHD) ion-drag micropump. Finite difference method (FDM) is employed to discretize the governing equation. The system of linear equations resulting from FDM is solved iteratively by using the sequential Jacobi (SJ) and sequential Gauss-Seidel (SGS) methods, simulation results are also compared to examine the difference between the results. The main objective was to analyze the computational time required by both the methods with respect to different grid sizes and parallelize the Jacobi method to reduce the computational time. In common, the SGS method is faster than the SJ method but the data parallelism of Jacobi method may produce good speedup over SGS method. In this study, the feasibility of using parallel Jacobi (PJ) method is attempted in relation to SGS method. MATLAB Parallel/Distributed computing environment is used and a parallel code for SJ method is implemented. It was found that for small grid size the SGS method remains dominant over SJ method and PJ method while for large grid size both the sequential methods may take nearly too much processing time to converge. Yet, the PJ method reduces computational time to some extent for large grid sizes.

Decomposition of almost-Poisson structure of generalised Chaplygin's nonholonomic systems

International Nuclear Information System (INIS)

Chang, Liu; Peng, Chang; Shi-Xing, Liu; Yong-Xin, Guo

2010-01-01

This paper constructs an almost-Poisson structure for the non-self-adjoint dynamical systems, which can be decomposed into a sum of a Poisson bracket and the other almost-Poisson bracket. The necessary and sufficient condition for the decomposition of the almost-Poisson bracket to be two Poisson ones is obtained. As an application, the almost-Poisson structure for generalised Chaplygin's systems is discussed in the framework of the decomposition theory. It proves that the almost-Poisson bracket for the systems can be decomposed into the sum of a canonical Poisson bracket and another two noncanonical Poisson brackets in some special cases, which is useful for integrating the equations of motion

Exact solution for the Poisson field in a semi-infinite strip.

Science.gov (United States)

Cohen, Yossi; Rothman, Daniel H

2017-04-01

The Poisson equation is associated with many physical processes. Yet exact analytic solutions for the two-dimensional Poisson field are scarce. Here we derive an analytic solution for the Poisson equation with constant forcing in a semi-infinite strip. We provide a method that can be used to solve the field in other intricate geometries. We show that the Poisson flux reveals an inverse square-root singularity at a tip of a slit, and identify a characteristic length scale in which a small perturbation, in a form of a new slit, is screened by the field. We suggest that this length scale expresses itself as a characteristic spacing between tips in real Poisson networks that grow in response to fluxes at tips.

Alternative Forms of Compound Fractional Poisson Processes

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Luisa Beghin

2012-01-01

Full Text Available We study here different fractional versions of the compound Poisson process. The fractionality is introduced in the counting process representing the number of jumps as well as in the density of the jumps themselves. The corresponding distributions are obtained explicitly and proved to be solution of fractional equations of order less than one. Only in the final case treated in this paper, where the number of jumps is given by the fractional-difference Poisson process defined in Orsingher and Polito (2012, we have a fractional driving equation, with respect to the time argument, with order greater than one. Moreover, in this case, the compound Poisson process is Markovian and this is also true for the corresponding limiting process. All the processes considered here are proved to be compositions of continuous time random walks with stable processes (or inverse stable subordinators. These subordinating relationships hold, not only in the limit, but also in the finite domain. In some cases the densities satisfy master equations which are the fractional analogues of the well-known Kolmogorov one.

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

Energy Technology Data Exchange (ETDEWEB)

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

1991-03-20

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

Iterative observer based method for source localization problem for Poisson equation in 3D

KAUST Repository

Majeed, Muhammad Usman

2017-07-10

A state-observer based method is developed to solve point source localization problem for Poisson equation in a 3D rectangular prism with available boundary data. The technique requires a weighted sum of solutions of multiple boundary data estimation problems for Laplace equation over the 3D domain. The solution of each of these boundary estimation problems involves writing down the mathematical problem in state-space-like representation using one of the space variables as time-like. First, system observability result for 3D boundary estimation problem is recalled in an infinite dimensional setting. Then, based on the observability result, the boundary estimation problem is decomposed into a set of independent 2D sub-problems. These 2D problems are then solved using an iterative observer to obtain the solution. Theoretical results are provided. The method is implemented numerically using finite difference discretization schemes. Numerical illustrations along with simulation results are provided.

Lattice Boltzmann method for weakly ionized isothermal plasmas

International Nuclear Information System (INIS)

Li Huayu; Ki, Hyungson

2007-01-01

In this paper, a lattice Boltzmann method (LBM) for weakly ionized isothermal plasmas is presented by introducing a rescaling scheme for the Boltzmann transport equation. Without using this rescaling, we found that the nondimensional relaxation time used in the LBM is too large and the LBM does not produce physically realistic results. The developed model was applied to the electrostatic wave problem and the diffusion process of singly ionized helium plasmas with a 1-3% degree of ionization under an electric field. The obtained results agree well with theoretical values

Multiscale Multiphysics and Multidomain Models I: Basic Theory.

Science.gov (United States)

Wei, Guo-Wei

2013-12-01

This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long

Analytical solution of the Poisson-Nernst-Planck equations for an electrochemical system close to electroneutrality

International Nuclear Information System (INIS)

Pabst, M.

2014-01-01

Single charge densities and the potential are used to describe models of electrochemical systems. These quantities can be calculated by solving a system of time dependent nonlinear coupled partial differential equations, the Poisson-Nernst-Planck equations. Assuming small deviations from the electroneutral equilibrium, the linearized and decoupled equations are solved for a radial symmetric geometry, which represents the interface between a cell and a sensor device. The densities and the potential are expressed by Fourier-Bessels series. The system considered has a ratio between the Debye-length and its geometric dimension on the order of 10 −4 so the Fourier-Bessel series can be approximated by elementary functions. The time development of the system is characterized by two time constants, τ c and τ g . The constant τ c describes the approach to the stationary state of the total charge and the potential. τ c is several orders of magnitude smaller than the geometry-dependent constant τ g , which is on the order of 10 ms characterizing the transition to the stationary state of the single ion densities

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

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Zhen Chen

2017-03-01

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

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

International Nuclear Information System (INIS)

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

2009-01-01

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

Integrability and Poisson Structures of Three Dimensional Dynamical Systems and Equations of Hydrodynamic Type

Science.gov (United States)

Gumral, Hasan

Poisson structure of completely integrable 3 dimensional dynamical systems can be defined in terms of an integrable 1-form. We take advantage of this fact and use the theory of foliations in discussing the geometrical structure underlying complete and partial integrability. We show that the Halphen system can be formulated in terms of a flat SL(2,R)-valued connection and belongs to a non-trivial Godbillon-Vey class. On the other hand, for the Euler top and a special case of 3-species Lotka-Volterra equations which are contained in the Halphen system as limiting cases, this structure degenerates into the form of globally integrable bi-Hamiltonian structures. The globally integrable bi-Hamiltonian case is a linear and the sl_2 structure is a quadratic unfolding of an integrable 1-form in 3 + 1 dimensions. We complete the discussion of the Hamiltonian structure of 2-component equations of hydrodynamic type by presenting the Hamiltonian operators for Euler's equation and a continuum limit of Toda lattice. We present further infinite sequences of conserved quantities for shallow water equations and show that their generalizations by Kodama admit bi-Hamiltonian structure. We present a simple way of constructing the second Hamiltonian operators for N-component equations admitting some scaling properties. The Kodama reduction of the dispersionless-Boussinesq equations and the Lax reduction of the Benney moment equations are shown to be equivalent by a symmetry transformation. They can be cast into the form of a triplet of conservation laws which enable us to recognize a non-trivial scaling symmetry. The resulting bi-Hamiltonian structure generates three infinite sequences of conserved densities.

Central moments of ion implantation distributions derived by the backward Boltzmann transport equation compared with Monte Carlo simulations

International Nuclear Information System (INIS)

Bowyer, M.D.J.; Ashworth, D.G.; Oven, R.

1992-01-01

In this paper we study solutions to the backward Boltzmann transport equation (BBTE) specialized to equations governing moments of the distribution of ions implanted into amorphous targets. A central moment integral equation set has been derived starting from the classical plane source BBTE for non-central moments. A full generator equation is provided to allow construction of equation sets of an arbitrary size, thus allowing computation of moments of arbitrary order. A BBTE solver program has been written that uses the residual correction technique proposed by Winterbon. A simple means is presented to allow direct incorporation of Biersack's two-parameter ''magic formula'' into a BBTE solver program. Results for non-central and central moment integral equation sets are compared with Monte Carlo simulations, using three different formulae for the mean free flight path between collisions. Comparisons are performed for the ions B and As, implanted into the target a-Si, over the energy range 1 keV-1 MeV. The central moment integral equation set is found to have superior convergence properties to the non-central moment equation set. For As ions implanted into a-Si, at energies below ∼ 30 keV, significant differences are observed, for third- and fourth-order moments, when using alternative versions for the mean free flight path. Third- and fourth-order moments derived using one- and two-parameter scattering mechanisms also show significant differences over the same energy range. (Author)

On the Derivation of Highest-Order Compact Finite Difference Schemes for the One- and Two-Dimensional Poisson Equation with Dirichlet Boundary Conditions

KAUST Repository

Settle, Sean O.; Douglas, Craig C.; Kim, Imbunm; Sheen, Dongwoo

2013-01-01

- and two-dimensional Poisson equation on uniform, quasi-uniform, and nonuniform face-to-face hyperrectangular grids and directly prove the existence or nonexistence of their highest-order local accuracies. Our derivations are unique in that we do not make

A Cartesian Grid Embedded Boundary Method for Poisson's Equation on Irregular Domains

Science.gov (United States)

Johansen, Hans; Colella, Phillip

1998-11-01

We present a numerical method for solving Poisson's equation, with variable coefficients and Dirichlet boundary conditions, on two-dimensional regions. The approach uses a finite-volume discretization, which embeds the domain in a regular Cartesian grid. We treat the solution as a cell-centered quantity, even when those centers are outside the domain. Cells that contain a portion of the domain boundary use conservative differencing of second-order accurate fluxes on each cell volume. The calculation of the boundary flux ensures that the conditioning of the matrix is relatively unaffected by small cell volumes. This allows us to use multigrid iterations with a simple point relaxation strategy. We have combined this with an adaptive mesh refinement (AMR) procedure. We provide evidence that the algorithm is second-order accurate on various exact solutions and compare the adaptive and nonadaptive calculations.

Boltzmann hierarchy for interacting neutrinos I: formalism

International Nuclear Information System (INIS)

Oldengott, Isabel M.; Rampf, Cornelius; Wong, Yvonne Y.Y.

2015-01-01

Starting from the collisional Boltzmann equation, we derive for the first time and from first principles the Boltzmann hierarchy for neutrinos including interactions with a scalar particle. Such interactions appear, for example, in majoron-like models of neutrino mass generation. We study two limits of the scalar mass: (i) An extremely massive scalar whose only role is to mediate an effective 4-fermion neutrino-neutrino interaction, and (ii) a massless scalar that can be produced in abundance and thus demands its own Boltzmann hierarchy. In contrast to, e.g., the first-order Boltzmann hierarchy for Thomson-scattering photons, our interacting neutrino/scalar Boltzmann hierarchies contain additional momentum-dependent collision terms arising from a non-negligible energy transfer in the neutrino-neutrino and neutrino-scalar interactions. This necessitates that we track each momentum mode of the phase space distributions individually, even if the particles were massless. Comparing our hierarchy with the commonly used (c eff 2 ,c vis 2 )-parameterisation, we find no formal correspondence between the two approaches, which raises the question of whether the latter parameterisation even has an interpretation in terms of particle scattering. Lastly, although we have invoked majoron-like models as a motivation for our study, our treatment is in fact generally applicable to all scenarios in which the neutrino and/or other ultrarelativistic fermions interact with scalar particles

Solution of the Boltzmann equation for primary light ions and the transport of their fragments

Directory of Open Access Journals (Sweden)

J. Kempe

2010-10-01

Full Text Available The Boltzmann equation for the transport of pencil beams of light ions in semi-infinite uniform media has been calculated. The equation is solved for the practically important generalized 3D case of Gaussian incident primary light ion beams of arbitrary mean square radius, mean square angular spread, and covariance. The transport of the associated fragments in three dimensions is derived based on the known transport of the primary particles, taking the mean square angular spread of their production processes, as well as their energy loss and multiple scattering, into account. The analytical pencil and broad beam depth fluence and absorbed dose distributions are accurately expressed using recently derived analytical energy and range formulas. The contributions from low and high linear energy transfer (LET dose components were separately identified using analytical expressions. The analytical results are compared with SHIELD-HIT Monte Carlo (MC calculations and found to be in very good agreement. The pencil beam fluence and absorbed dose distributions of the primary particles are mainly influenced by an exponential loss of the primary ions combined with an increasing lateral spread due to multiple scattering and energy loss with increasing penetration depth. The associated fluence of heavy fragments is concentrated at small radii and so is the LET and absorbed dose distribution. Their transport is also characterized by the buildup of a slowing down spectrum which is quite similar to that of the primaries but with a wider energy and angular spread at increasing penetration depths. The range of the fragments is shorter or longer depending on their nuclear mass to charge ratio relative to that of the primary ions. The absorbed dose of the heavier fragments is fairly similar to that of the primary ions and also influenced by a rapidly increasing energy loss towards the end of their ranges. The present analytical solution of the Boltzmann equation

Variational method enabling simplified solutions to the linearized Boltzmann equation for oscillatory gas flows

Science.gov (United States)

Ladiges, Daniel R.; Sader, John E.

2018-05-01

Nanomechanical resonators and sensors, operated in ambient conditions, often generate low-Mach-number oscillating rarefied gas flows. Cercignani [C. Cercignani, J. Stat. Phys. 1, 297 (1969), 10.1007/BF01007482] proposed a variational principle for the linearized Boltzmann equation, which can be used to derive approximate analytical solutions of steady (time-independent) flows. Here we extend and generalize this principle to unsteady oscillatory rarefied flows and thus accommodate resonating nanomechanical devices. This includes a mathematical approach that facilitates its general use and allows for systematic improvements in accuracy. This formulation is demonstrated for two canonical flow problems: oscillatory Couette flow and Stokes' second problem. Approximate analytical formulas giving the bulk velocity and shear stress, valid for arbitrary oscillation frequency, are obtained for Couette flow. For Stokes' second problem, a simple system of ordinary differential equations is derived which may be solved to obtain the desired flow fields. Using this framework, a simple and accurate formula is provided for the shear stress at the oscillating boundary, again for arbitrary frequency, which may prove useful in application. These solutions are easily implemented on any symbolic or numerical package, such as Mathematica or matlab, facilitating the characterization of flows produced by nanomechanical devices and providing insight into the underlying flow physics.

Collision group and renormalization of the Boltzmann collision integral

Science.gov (United States)

Saveliev, V. L.; Nanbu, K.

2002-05-01

On the basis of a recently discovered collision group [V. L. Saveliev, in Rarefied Gas Dynamics: 22nd International Symposium, edited by T. J. Bartel and M. Gallis, AIP Conf. Proc. No. 585 (AIP, Melville, NY, 2001), p. 101], the Boltzmann collision integral is exactly rewritten in two parts. The first part describes the scattering of particles with small angles. In this part the infinity due to the infinite cross sections is extracted from the Boltzmann collision integral. Moreover, the Boltzmann collision integral is represented as a divergence of the flow in velocity space. Owing to this, the role of collisions in the kinetic equation can be interpreted in terms of the nonlocal friction force that depends on the distribution function.

Flows of non-smooth vector fields and degenerate elliptic equations with applications to the Vlasov-Poisson and semigeostrophic systems

CERN Document Server

Colombo, Maria

2017-01-01

The first part of the book is devoted to the transport equation for a given vector field, exploiting the lagrangian structure of solutions. It also treats the regularity of solutions of some degenerate elliptic equations, which appear in the eulerian counterpart of some transport models with congestion. The second part of the book deals with the lagrangian structure of solutions of the Vlasov-Poisson system, which describes the evolution of a system of particles under the self-induced gravitational/electrostatic field, and the existence of solutions of the semigeostrophic system, used in meteorology to describe the motion of large-scale oceanic/atmospheric flows.

Imitation Monte Carlo methods for problems of the Boltzmann equation with small Knudsen numbers, parallelizing algorithms with splitting

International Nuclear Information System (INIS)

Khisamutdinov, A I; Velker, N N

2014-01-01

The talk examines a system of pairwise interaction particles, which models a rarefied gas in accordance with the nonlinear Boltzmann equation, the master equations of Markov evolution of this system and corresponding numerical Monte Carlo methods. Selection of some optimal method for simulation of rarefied gas dynamics depends on the spatial size of the gas flow domain. For problems with the Knudsen number K n of order unity 'imitation', or 'continuous time', Monte Carlo methods ([2]) are quite adequate and competitive. However if K n ≤ 0.1 (the large sizes), excessive punctuality, namely, the need to see all the pairs of particles in the latter, leads to a significant increase in computational cost(complexity). We are interested in to construct the optimal methods for Boltzmann equation problems with large enough spatial sizes of the flow. Speaking of the optimal, we mean that we are talking about algorithms for parallel computation to be implemented on high-performance multi-processor computers. The characteristic property of large systems is the weak dependence of sub-parts of each other at a sufficiently small time intervals. This property is taken into account in the approximate methods using various splittings of operator of corresponding master equations. In the paper, we develop the approximate method based on the splitting of the operator of master equations system 'over groups of particles' ([7]). The essence of the method is that the system of particles is divided into spatial subparts which are modeled independently for small intervals of time, using the precise 'imitation' method. The type of splitting used is different from other well-known type 'over collisions and displacements', which is an attribute of the known Direct simulation Monte Carlo methods. The second attribute of the last ones is the grid of the 'interaction cells', which is completely absent in the imitation methods. The

Simple Navier’s slip boundary condition for the non-Newtonian Lattice Boltzmann fluid dynamics solver

DEFF Research Database (Denmark)

Svec, Oldrich; Skoček, Jan

2013-01-01

The ability of the Lattice Boltzmann method, as the fluid dynamics solver, to properly simulate macroscopic Navier’s slip boundary condition is investigated. An approximate equation relating the Lattice Boltzmann variable slip boundary condition with the macroscopic Navier’s slip boundary condition...

Lattice Boltzmann method with the cell-population equilibrium

International Nuclear Information System (INIS)

Zhou Xiaoyang; Cheng Bing; Shi Baochang

2008-01-01

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

Three-dimensional lattice Boltzmann model for compressible flows.

Science.gov (United States)

Sun, Chenghai; Hsu, Andrew T

2003-07-01

A three-dimensional compressible lattice Boltzmann model is formulated on a cubic lattice. A very large particle-velocity set is incorporated in order to enable a greater variation in the mean velocity. Meanwhile, the support set of the equilibrium distribution has only six directions. Therefore, this model can efficiently handle flows over a wide range of Mach numbers and capture shock waves. Due to the simple form of the equilibrium distribution, the fourth-order velocity tensors are not involved in the formulation. Unlike the standard lattice Boltzmann model, no special treatment is required for the homogeneity of fourth-order velocity tensors on square lattices. The Navier-Stokes equations were recovered, using the Chapman-Enskog method from the Bhatnagar-Gross-Krook (BGK) lattice Boltzmann equation. The second-order discretization error of the fluctuation velocity in the macroscopic conservation equation was eliminated by means of a modified collision invariant. The model is suitable for both viscous and inviscid compressible flows with or without shocks. Since the present scheme deals only with the equilibrium distribution that depends only on fluid density, velocity, and internal energy, boundary conditions on curved wall are easily implemented by an extrapolation of macroscopic variables. To verify the scheme for inviscid flows, we have successfully simulated a three-dimensional shock-wave propagation in a box and a normal shock of Mach number 10 over a wedge. As an application to viscous flows, we have simulated a flat plate boundary layer flow, flow over a cylinder, and a transonic flow over a NACA0012 airfoil cascade.

A generalized Poisson solver for first-principles device simulations

Energy Technology Data Exchange (ETDEWEB)

Bani-Hashemian, Mohammad Hossein; VandeVondele, Joost, E-mail: joost.vandevondele@mat.ethz.ch [Nanoscale Simulations, ETH Zürich, 8093 Zürich (Switzerland); Brück, Sascha; Luisier, Mathieu [Integrated Systems Laboratory, ETH Zürich, 8092 Zürich (Switzerland)

2016-01-28

Electronic structure calculations of atomistic systems based on density functional theory involve solving the Poisson equation. In this paper, we present a plane-wave based algorithm for solving the generalized Poisson equation subject to periodic or homogeneous Neumann conditions on the boundaries of the simulation cell and Dirichlet type conditions imposed at arbitrary subdomains. In this way, source, drain, and gate voltages can be imposed across atomistic models of electronic devices. Dirichlet conditions are enforced as constraints in a variational framework giving rise to a saddle point problem. The resulting system of equations is then solved using a stationary iterative method in which the generalized Poisson operator is preconditioned with the standard Laplace operator. The solver can make use of any sufficiently smooth function modelling the dielectric constant, including density dependent dielectric continuum models. For all the boundary conditions, consistent derivatives are available and molecular dynamics simulations can be performed. The convergence behaviour of the scheme is investigated and its capabilities are demonstrated.

Estimation of a Non-homogeneous Poisson Model: An Empirical ...

African Journals Online (AJOL)

This article aims at applying the Nonhomogeneous Poisson process to trends of economic development. For this purpose, a modified Nonhomogeneous Poisson process is derived when the intensity rate is considered as a solution of stochastic differential equation which satisfies the geometric Brownian motion. The mean ...

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

International Nuclear Information System (INIS)

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

2017-01-01

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

Multiscale molecular dynamics using the matched interface and boundary method

International Nuclear Information System (INIS)

Geng Weihua; Wei, G.W.

2011-01-01

The Poisson-Boltzmann (PB) equation is an established multiscale model for electrostatic analysis of biomolecules and other dielectric systems. PB based molecular dynamics (MD) approach has a potential to tackle large biological systems. Obstacles that hinder the current development of PB based MD methods are concerns in accuracy, stability, efficiency and reliability. The presence of complex solvent-solute interface, geometric singularities and charge singularities leads to challenges in the numerical solution of the PB equation and electrostatic force evaluation in PB based MD methods. Recently, the matched interface and boundary (MIB) method has been utilized to develop the first second order accurate PB solver that is numerically stable in dealing with discontinuous dielectric coefficients, complex geometric singularities and singular source charges. The present work develops the PB based MD approach using the MIB method. New formulation of electrostatic forces is derived to allow the use of sharp molecular surfaces. Accurate reaction field forces are obtained by directly differentiating the electrostatic potential. Dielectric boundary forces are evaluated at the solvent-solute interface using an accurate Cartesian-grid surface integration method. The electrostatic forces located at reentrant surfaces are appropriately assigned to related atoms. Extensive numerical tests are carried out to validate the accuracy and stability of the present electrostatic force calculation. The new PB based MD method is implemented in conjunction with the AMBER package. MIB based MD simulations of biomolecules are demonstrated via a few example systems.

Lattice Boltzmann model for three-phase viscoelastic fluid flow

Science.gov (United States)

Xie, Chiyu; Lei, Wenhai; Wang, Moran

2018-02-01

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

An implicit meshless scheme for the solution of transient non-linear Poisson-type equations

KAUST Repository

Bourantas, Georgios

2013-07-01

A meshfree point collocation method is used for the numerical simulation of both transient and steady state non-linear Poisson-type partial differential equations. Particular emphasis is placed on the application of the linearization method with special attention to the lagging of coefficients method and the Newton linearization method. The localized form of the Moving Least Squares (MLS) approximation is employed for the construction of the shape functions, in conjunction with the general framework of the point collocation method. Computations are performed for regular nodal distributions, stressing the positivity conditions that make the resulting system stable and convergent. The accuracy and the stability of the proposed scheme are demonstrated through representative and well-established benchmark problems. © 2013 Elsevier Ltd.

An implicit meshless scheme for the solution of transient non-linear Poisson-type equations

KAUST Repository

Bourantas, Georgios; Burganos, Vasilis N.

2013-01-01

A meshfree point collocation method is used for the numerical simulation of both transient and steady state non-linear Poisson-type partial differential equations. Particular emphasis is placed on the application of the linearization method with special attention to the lagging of coefficients method and the Newton linearization method. The localized form of the Moving Least Squares (MLS) approximation is employed for the construction of the shape functions, in conjunction with the general framework of the point collocation method. Computations are performed for regular nodal distributions, stressing the positivity conditions that make the resulting system stable and convergent. The accuracy and the stability of the proposed scheme are demonstrated through representative and well-established benchmark problems. © 2013 Elsevier Ltd.

Membrane Protein Properties Revealed through Data-Rich Electrostatics Calculations.

Science.gov (United States)

Marcoline, Frank V; Bethel, Neville; Guerriero, Christopher J; Brodsky, Jeffrey L; Grabe, Michael

2015-08-04

The electrostatic properties of membrane proteins often reveal many of their key biophysical characteristics, such as ion channel selectivity and the stability of charged membrane-spanning segments. The Poisson-Boltzmann (PB) equation is the gold standard for calculating protein electrostatics, and the software APBSmem enables the solution of the PB equation in the presence of a membrane. Here, we describe significant advances to APBSmem, including full automation of system setup, per-residue energy decomposition, incorporation of PDB2PQR, calculation of membrane-induced pKa shifts, calculation of non-polar energies, and command-line scripting for large-scale calculations. We highlight these new features with calculations carried out on a number of membrane proteins, including the recently solved structure of the ion channel TRPV1 and a large survey of 1,614 membrane proteins of known structure. This survey provides a comprehensive list of residues with large electrostatic penalties for being embedded in the membrane, potentially revealing interesting functional information. Copyright © 2015 Elsevier Ltd. All rights reserved.

The child-Langmuir limit for semiconductors: a numerical validation

International Nuclear Information System (INIS)

Caceres, M.J.; Carrillo, J.A.; Degond, P.

2002-01-01

The Boltzmann-Poisson system modeling the electron flow in semiconductors is used to discuss the validity of the Child-Langmuir asymptotics. The scattering kernel is approximated by a simple relaxation time operator. The Child-Langmuir limit gives an approximation of the current-voltage characteristic curves by means of a scaling procedure in which the ballistic velocity is much larger that the thermal one. We discuss the validity of the Child-Langmuir regime by performing detailed numerical comparisons between the simulation of the Boltzmann-Poisson system and the Child-Langmuir equations in test problems. (authors)

Nonlocal and nonlinear electrostatics of a dipolar Coulomb fluid.

Science.gov (United States)

Sahin, Buyukdagli; Ralf, Blossey

2014-07-16

We study a model Coulomb fluid consisting of dipolar solvent molecules of finite extent which generalizes the point-like dipolar Poisson-Boltzmann model (DPB) previously introduced by Coalson and Duncan (1996 J. Phys. Chem. 100 2612) and Abrashkin et al (2007 Phys. Rev. Lett. 99 077801). We formulate a nonlocal Poisson-Boltzmann equation (NLPB) and study both linear and nonlinear dielectric response in this model for the case of a single plane geometry. Our results shed light on the relevance of nonlocal versus nonlinear effects in continuum models of material electrostatics.

A note on the Lattice Boltzmann Method Beyond the Chapman Enskog Limits

NARCIS (Netherlands)

Sbragaglia, M.; Succi, S.

2006-01-01

A non-perturbative analysis of the Bhatnagar-Gross-Krook (BGK) model kinetic equation for finite values of the Knudsen number is presented. This analysis indicates why discrete kinetic versions of the BGK equation, and notably the lattice Boltzmann method, can provide semi-quantitative results also

Scattering theory of the linear Boltzmann operator

International Nuclear Information System (INIS)

Hejtmanek, J.

1975-01-01

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

Nonlocal Boltzmann theory of plasma channels

International Nuclear Information System (INIS)

Yu, S.S.; Melendez, R.E.

1983-01-01

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

Entropy inequality and hydrodynamic limits for the Boltzmann equation.

Science.gov (United States)

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!).

Formulation of Hamiltonian mechanics with even and odd Poisson brackets

International Nuclear Information System (INIS)

Khudaverdyan, O.M.; Nersesyan, A.P.

1987-01-01

A possibility is studied as to constrict the odd Poisson bracket and odd Hamiltonian by the given dynamics in phase superspace - the even Poisson bracket and even Hamiltonian so the transition to the new structure does not change the equations of motion. 9 refs

Polar Coordinate Lattice Boltzmann Kinetic Modeling of Detonation Phenomena

International Nuclear Information System (INIS)

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

2014-01-01

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

Lattice Boltzmann simulation on the liquid junction potential in a concentration fuel cell. Paper no. IGEC-1-060

International Nuclear Information System (INIS)

Park, J.; Huh, K.Y.; Li, X.

2005-01-01

The lattice Boltzmann method (LBM) is applied to investigate the liquid junction potential (LJP) at an interface between two electrolyte layers. The Poisson equation for electrostatic field is solved to extend the applicable range to micro and nano scales in which electroneutrality does not hold. The LBM solutions are validated against analytical and finite difference method (FDM) results for evolution of concentration, net charge density and electrostatic potential. Noticeable separation of the concentration profiles of positive and negative ions occurs for kd less than 67 in simulation, where k is the inverse of the thickness of electrical double layer and d is the system length. Parametric study is performed for the peak potential and the time to reach the peak with respect to kd and ξ which is the initial thickness ratio of the lower concentration to entire stream. Simple coding and easy parallelization will allow the LBM to make an efficient analysis tool for complex electrochemical systems. (author)

Poisson-Box Sampling algorithms for three-dimensional Markov binary mixtures

Science.gov (United States)

Larmier, Coline; Zoia, Andrea; Malvagi, Fausto; Dumonteil, Eric; Mazzolo, Alain

2018-02-01

Particle transport in Markov mixtures can be addressed by the so-called Chord Length Sampling (CLS) methods, a family of Monte Carlo algorithms taking into account the effects of stochastic media on particle propagation by generating on-the-fly the material interfaces crossed by the random walkers during their trajectories. Such methods enable a significant reduction of computational resources as opposed to reference solutions obtained by solving the Boltzmann equation for a large number of realizations of random media. CLS solutions, which neglect correlations induced by the spatial disorder, are faster albeit approximate, and might thus show discrepancies with respect to reference solutions. In this work we propose a new family of algorithms (called 'Poisson Box Sampling', PBS) aimed at improving the accuracy of the CLS approach for transport in d-dimensional binary Markov mixtures. In order to probe the features of PBS methods, we will focus on three-dimensional Markov media and revisit the benchmark problem originally proposed by Adams, Larsen and Pomraning [1] and extended by Brantley [2]: for these configurations we will compare reference solutions, standard CLS solutions and the new PBS solutions for scalar particle flux, transmission and reflection coefficients. PBS will be shown to perform better than CLS at the expense of a reasonable increase in computational time.

Non-Poisson Processes: Regression to Equilibrium Versus Equilibrium Correlation Functions

Science.gov (United States)

2004-07-07

ARTICLE IN PRESSPhysica A 347 (2005) 268–2880378-4371/$ - doi:10.1016/j Correspo E-mail adwww.elsevier.com/locate/physaNon- Poisson processes : regression...05.40.a; 89.75.k; 02.50.Ey Keywords: Stochastic processes; Non- Poisson processes ; Liouville and Liouville-like equations; Correlation function...which is not legitimate with renewal non- Poisson processes , is a correct property if the deviation from the exponential relaxation is obtained by time

Four-dimensional gravity as an almost-Poisson system

Science.gov (United States)

Ita, Eyo Eyo

2015-04-01

In this paper, we examine the phase space structure of a noncanonical formulation of four-dimensional gravity referred to as the Instanton representation of Plebanski gravity (IRPG). The typical Hamiltonian (symplectic) approach leads to an obstruction to the definition of a symplectic structure on the full phase space of the IRPG. We circumvent this obstruction, using the Lagrange equations of motion, to find the appropriate generalization of the Poisson bracket. It is shown that the IRPG does not support a Poisson bracket except on the vector constraint surface. Yet there exists a fundamental bilinear operation on its phase space which produces the correct equations of motion and induces the correct transformation properties of the basic fields. This bilinear operation is known as the almost-Poisson bracket, which fails to satisfy the Jacobi identity and in this case also the condition of antisymmetry. We place these results into the overall context of nonsymplectic systems.

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

Science.gov (United States)

He, Ping

2012-01-01

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

Non-markovian boltzmann equation

International Nuclear Information System (INIS)

Kremp, D.; Bonitz, M.; Kraeft, W.D.; Schlanges, M.

1997-01-01

A quantum kinetic equation for strongly interacting particles (generalized binary collision approximation, ladder or T-matrix approximation) is derived in the framework of the density operator technique. In contrast to conventional kinetic theory, which is valid on large time scales as compared to the collision (correlation) time only, our approach retains the full time dependencies, especially also on short time scales. This means retardation and memory effects resulting from the dynamics of binary correlations and initial correlations are included. Furthermore, the resulting kinetic equation conserves total energy (the sum of kinetic and potential energy). The second aspect of generalization is the inclusion of many-body effects, such as self-energy, i.e., renormalization of single-particle energies and damping. To this end we introduce an improved closure relation to the Bogolyubov endash Born endash Green endash Kirkwood endash Yvon hierarchy. Furthermore, in order to express the collision integrals in terms of familiar scattering quantities (Mo/ller operator, T-matrix), we generalize the methods of quantum scattering theory by the inclusion of medium effects. To illustrate the effects of memory and damping, the results of numerical simulations are presented. copyright 1997 Academic Press, Inc

Nonlinear conformally invariant generalization of the Poisson equation to D>2 dimensions

International Nuclear Information System (INIS)

Milgrom, M.

1997-01-01

I propound a nonlinear generalization of the scalar-field Poisson equation [(var-phi , i var-phi ,i ) D/2-1 var-phi ; k ] ;k ∝ρ, in curved D-dimensional space. It is derivable from the Lagrangian density L D =L f D -Aρ var-phi, with L f D ∝-(var-phi , i var-phi ,i ) D/2 , and ρ the distribution of sources. Specializing to Euclidean spaces, where the field equation is ∇·(|∇ var-phi | D-2 ∇ var-phi)∝ρ, I find that L f D is the only conformally invariant (CI) Lagrangian in D dimensions, containing only first derivatives of var-phi, beside the free Lagrangian (∇ var-phi) 2 , which underlies the Laplace equation. When var-phi is coupled to the sources in the above manner, L D is left as the only CI Lagrangian. The symmetry is one's only recourse in solving this nonlinear theory for some nontrivial configurations. Systems comprising N point charges are special and afford further application of the symmetry. In spite of the CI, the energy function for such a system is not invariant under conformal transformations of the charges' positions. The anomalous transformation properties of the energy stem from effects of the self-energies of the charges. It follows from these that the forces F i on the charges q i at positions r i must satisfy certain constraints beside the vanishing of the net force and net moment: e.g., summation i r i ·F i must equal some given function of the charges. The constraints total (D+1)(D+2)/2, which tallies with the dimension of the conformal group in D dimensions. Among other things I use all these to derive exact expressions for the following quantities: (1) The general two-point-charge force. (Abstract Truncated)

Multiphase lattice Boltzmann on the Cell Broadband Engine

International Nuclear Information System (INIS)

Belletti, F.; Mantovani, F.; Tripiccione, R.; Biferale, L.; Schifano, S.F.; Toschi, F.

2009-01-01

Computational experiments are one of the most used and flexible investigation tools in fluid dynamics. The Lattice Boltzmann Equation is a well established computational method particularly promising for multi-phase flows at micro and macro scales. Here we present preliminary results on performances of the Lbe method on the Cell Broadband Engine platform.

Poisson-Lie T-plurality

International Nuclear Information System (INIS)

Unge, Rikard von

2002-01-01

We extend the path-integral formalism for Poisson-Lie T-duality to include the case of Drinfeld doubles which can be decomposed into bi-algebras in more than one way. We give the correct shift of the dilaton, correcting a mistake in the literature. We then use the fact that the six dimensional Drinfeld doubles have been classified to write down all possible conformal Poisson-Lie T-duals of three dimensional space times and we explicitly work out two duals to the constant dilaton and zero anti-symmetric tensor Bianchi type V space time and show that they satisfy the string equations of motion. This space-time was previously thought to have no duals because of the tracefulness of the structure constants. (author)

Analysis of the Poisson-Nernst-Planck equation in a ball for modeling the Voltage-Current relation in neurobiological microdomains

Science.gov (United States)

Cartailler, J.; Schuss, Z.; Holcman, D.

2017-01-01

The electro-diffusion of ions is often described by the Poisson-Nernst-Planck (PNP) equations, which couple nonlinearly the charge concentration and the electric potential. This model is used, among others, to describe the motion of ions in neuronal micro-compartments. It remains at this time an open question how to determine the relaxation and the steady state distribution of voltage when an initial charge of ions is injected into a domain bounded by an impermeable dielectric membrane. The purpose of this paper is to construct an asymptotic approximation to the solution of the stationary PNP equations in a d-dimensional ball (d = 1 , 2 , 3) in the limit of large total charge. In this geometry the PNP system reduces to the Liouville-Gelfand-Bratú (LGB) equation, with the difference that the boundary condition is Neumann, not Dirichlet, and there is a minus sign in the exponent of the exponential term. The entire boundary is impermeable to ions and the electric field satisfies the compatibility condition of Poisson's equation. These differences replace attraction by repulsion in the LGB equation, thus completely changing the solution. We find that the voltage is maximal in the center and decreases toward the boundary. We also find that the potential drop between the center and the surface increases logarithmically in the total number of charges and not linearly, as in classical capacitance theory. This logarithmic singularity is obtained for d = 3 from an asymptotic argument and cannot be derived from the analysis of the phase portrait. These results are used to derive the relation between the outward current and the voltage in a dendritic spine, which is idealized as a dielectric sphere connected smoothly to the nerve axon by a narrow neck. This is a fundamental microdomain involved in neuronal communication. We compute the escape rate of an ion from the steady density in a ball, which models a neuronal spine head, to a small absorbing window in the sphere. We

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

International Nuclear Information System (INIS)

Velarde, G.

1976-01-01

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

Chaotic Boltzmann machines

Science.gov (United States)

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

2013-01-01

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

A regularization method for solving the Poisson equation for mixed unbounded-periodic domains

DEFF Research Database (Denmark)

Spietz, Henrik Juul; Mølholm Hejlesen, Mads; Walther, Jens Honoré

2018-01-01

the regularized unbounded-periodic Green's functions can be implemented in an FFT-based Poisson solver to obtain a convergence rate corresponding to the regularization order of the Green's function. The high order is achieved without any additional computational cost from the conventional FFT-based Poisson solver...... and enables the calculation of the derivative of the solution to the same high order by direct spectral differentiation. We illustrate an application of the FFT-based Poisson solver by using it with a vortex particle mesh method for the approximation of incompressible flow for a problem with a single periodic...

The Hitchin model, Poisson-quasi-Nijenhuis, geometry and symmetry reduction

International Nuclear Information System (INIS)

Zucchini, Roberto

2007-01-01

We revisit our earlier work on the AKSZ-like formulation of topological sigma model on generalized complex manifolds, or Hitchin model, [20]. We show that the target space geometry geometry implied by the BV master equations is Poisson-quasi-Nijenhuis geometry recently introduced and studied by Stienon and Xu (in the untwisted case) in [44]. Poisson-quasi-Nijenhuis geometry is more general than generalized complex geometry and comprises it as a particular case. Next, we show how gauging and reduction can be implemented in the Hitchin model. We find that the geometry resulting form the BV master equation is closely related to but more general than that recently described by Lin and Tolman in [40, 41], suggesting a natural framework for the study of reduction of Poisson-quasi-Nijenhuis manifolds

Numerical solution of continuous-time DSGE models under Poisson uncertainty

DEFF Research Database (Denmark)

Posch, Olaf; Trimborn, Timo

We propose a simple and powerful method for determining the transition process in continuous-time DSGE models under Poisson uncertainty numerically. The idea is to transform the system of stochastic differential equations into a system of functional differential equations of the retarded type. We...... classes of models. We illustrate the algorithm simulating both the stochastic neoclassical growth model and the Lucas model under Poisson uncertainty which is motivated by the Barro-Rietz rare disaster hypothesis. We find that, even for non-linear policy functions, the maximum (absolute) error is very...

Global Existence and Large Time Behavior of Solutions to the Bipolar Nonisentropic Euler-Poisson Equations

Directory of Open Access Journals (Sweden)

Min Chen

2014-01-01

Full Text Available We study the one-dimensional bipolar nonisentropic Euler-Poisson equations which can model various physical phenomena, such as the propagation of electron and hole in submicron semiconductor devices, the propagation of positive ion and negative ion in plasmas, and the biological transport of ions for channel proteins. We show the existence and large time behavior of global smooth solutions for the initial value problem, when the difference of two particles’ initial mass is nonzero, and the far field of two particles’ initial temperatures is not the ambient device temperature. This result improves that of Y.-P. Li, for the case that the difference of two particles’ initial mass is zero, and the far field of the initial temperature is the ambient device temperature.

The applicability of the Poisson distribution in radiochemical measurements

International Nuclear Information System (INIS)

Luthardt, M.; Proesch, U.

1980-01-01

The fact that, on principle, the Poisson distribution describes the statistics of nuclear decay is generally accepted. The applicability of this distribution to nuclear radiation measurements has recently been questioned. Applying the chi-squared test for goodness of fit on the analogy of the moving average, at least 3 cases may be distinguished, which lead to an incorrect rejection of the Poisson distribution for measurements. Examples are given. Distributions, which make allowance for special parameters, should only be used after careful examination of the data with regard to other interfering effects. The Poisson distribution will further on be applicable to many simple measuring operations. Some basic equations for the analysis of poisson-distributed data are given. (author)

Nonextensive statistical mechanics of ionic solutions

International Nuclear Information System (INIS)

Varela, L.M.; Carrete, J.; Munoz-Sola, R.; Rodriguez, J.R.; Gallego, J.

2007-01-01

Classical mean-field Poisson-Boltzmann theory of ionic solutions is revisited in the theoretical framework of nonextensive Tsallis statistics. The nonextensive equivalent of Poisson-Boltzmann equation is formulated revisiting the statistical mechanics of liquids and the Debye-Hueckel framework is shown to be valid for highly diluted solutions even under circumstances where nonextensive thermostatistics must be applied. The lowest order corrections associated to nonadditive effects are identified for both symmetric and asymmetric electrolytes and the behavior of the average electrostatic potential in a homogeneous system is analytically and numerically analyzed for various values of the complexity measurement nonextensive parameter q

Modeling and analysis of surface potential of single gate fully depleted SOI MOSFET using 2D-Poisson's equation

Science.gov (United States)

Mani, Prashant; Tyagi, Chandra Shekhar; Srivastav, Nishant

2016-03-01

In this paper the analytical solution of the 2D Poisson's equation for single gate Fully Depleted SOI (FDSOI) MOSFET's is derived by using a Green's function solution technique. The surface potential is calculated and the threshold voltage of the device is minimized for the low power consumption. Due to minimization of threshold voltage the short channel effect of device is suppressed and after observation we obtain the device is kink free. The structure and characteristics of SingleGate FDSOI MOSFET were matched by using MathCAD and silvaco respectively.

The Arrow of Time in the Collapse of Collisionless Self-gravitating Systems: Non-validity of the Vlasov-Poisson Equation during Violent Relaxation

Science.gov (United States)

Beraldo e Silva, Leandro; de Siqueira Pedra, Walter; Sodré, Laerte; Perico, Eder L. D.; Lima, Marcos

2017-09-01

The collapse of a collisionless self-gravitating system, with the fast achievement of a quasi-stationary state, is driven by violent relaxation, with a typical particle interacting with the time-changing collective potential. It is traditionally assumed that this evolution is governed by the Vlasov-Poisson equation, in which case entropy must be conserved. We run N-body simulations of isolated self-gravitating systems, using three simulation codes, NBODY-6 (direct summation without softening), NBODY-2 (direct summation with softening), and GADGET-2 (tree code with softening), for different numbers of particles and initial conditions. At each snapshot, we estimate the Shannon entropy of the distribution function with three different techniques: Kernel, Nearest Neighbor, and EnBiD. For all simulation codes and estimators, the entropy evolution converges to the same limit as N increases. During violent relaxation, the entropy has a fast increase followed by damping oscillations, indicating that violent relaxation must be described by a kinetic equation other than the Vlasov-Poisson equation, even for N as large as that of astronomical structures. This indicates that violent relaxation cannot be described by a time-reversible equation, shedding some light on the so-called “fundamental paradox of stellar dynamics.” The long-term evolution is well-described by the orbit-averaged Fokker-Planck model, with Coulomb logarithm values in the expected range 10{--}12. By means of NBODY-2, we also study the dependence of the two-body relaxation timescale on the softening length. The approach presented in the current work can potentially provide a general method for testing any kinetic equation intended to describe the macroscopic evolution of N-body systems.

Complete synchronization of the global coupled dynamical network induced by Poisson noises.

Science.gov (United States)

Guo, Qing; Wan, Fangyi

2017-01-01

The different Poisson noise-induced complete synchronization of the global coupled dynamical network is investigated. Based on the stability theory of stochastic differential equations driven by Poisson process, we can prove that Poisson noises can induce synchronization and sufficient conditions are established to achieve complete synchronization with probability 1. Furthermore, numerical examples are provided to show the agreement between theoretical and numerical analysis.

An integrated Boltzmann+hydrodynamics approach to heavy ion collisions

International Nuclear Information System (INIS)

Petersen, Hannah

2009-01-01

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

An integrated Boltzmann+hydrodynamics approach to heavy ion collisions

Energy Technology Data Exchange (ETDEWEB)

Petersen, Hannah

2009-04-22

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

Lattice Boltzmann model for numerical relativity.

Science.gov (United States)

Ilseven, E; Mendoza, M

2016-02-01

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

Intertime jump statistics of state-dependent Poisson processes.

Science.gov (United States)

Daly, Edoardo; Porporato, Amilcare

2007-01-01

A method to obtain the probability distribution of the interarrival times of jump occurrences in systems driven by state-dependent Poisson noise is proposed. Such a method uses the survivor function obtained by a modified version of the master equation associated to the stochastic process under analysis. A model for the timing of human activities shows the capability of state-dependent Poisson noise to generate power-law distributions. The application of the method to a model for neuron dynamics and to a hydrological model accounting for land-atmosphere interaction elucidates the origin of characteristic recurrence intervals and possible persistence in state-dependent Poisson models.

On poisson-stopped-sums that are mixed poisson

OpenAIRE

Valero Baya, Jordi; Pérez Casany, Marta; Ginebra Molins, Josep

2013-01-01

Maceda (1948) characterized the mixed Poisson distributions that are Poisson-stopped-sum distributions based on the mixing distribution. In an alternative characterization of the same set of distributions here the Poisson-stopped-sum distributions that are mixed Poisson distributions is proved to be the set of Poisson-stopped-sums of either a mixture of zero-truncated Poisson distributions or a zero-modification of it. Peer Reviewed

Computation of solar perturbations with Poisson series

Science.gov (United States)

Broucke, R.

1974-01-01

Description of a project for computing first-order perturbations of natural or artificial satellites by integrating the equations of motion on a computer with automatic Poisson series expansions. A basic feature of the method of solution is that the classical variation-of-parameters formulation is used rather than rectangular coordinates. However, the variation-of-parameters formulation uses the three rectangular components of the disturbing force rather than the classical disturbing function, so that there is no problem in expanding the disturbing function in series. Another characteristic of the variation-of-parameters formulation employed is that six rather unusual variables are used in order to avoid singularities at the zero eccentricity and zero (or 90 deg) inclination. The integration process starts by assuming that all the orbit elements present on the right-hand sides of the equations of motion are constants. These right-hand sides are then simple Poisson series which can be obtained with the use of the Bessel expansions of the two-body problem in conjunction with certain interation methods. These Poisson series can then be integrated term by term, and a first-order solution is obtained.

Decoupling of the nernst-planck and poisson equations. Application to a membrane system at overlimiting currents.

Science.gov (United States)

Urtenov, Mahamet A-Kh; Kirillova, Evgeniya V; Seidova, Natalia M; Nikonenko, Victor V

2007-12-27

This paper deals with one-dimensional stationary Nernst-Planck and Poisson (NPP) equations describing ion electrodiffusion in multicomponent solution/electrode or ion-conductive membrane systems. A general method for resolving ordinary and singularly perturbed problems with these equations is developed. This method is based on the decoupling of NPP equations that results in deduction of an equation containing only the terms with different powers of the electrical field and its derivatives. Then, the solution of this equation, analytical in several cases or numerical, is substituted into the Nernst-Planck equations for calculating the concentration profile for each ion present in the system. Different ionic species are grouped in valency classes that allows one to reduce the dimension of the original set of equations and leads to a relatively easy treatment of multi-ion systems. When applying the method developed, the main attention is paid to ion transfer at limiting and overlimiting currents, where a significant deviation from local electroneutrality occurs. The boundary conditions and different approximations are examined: the local electroneutrality (LEN) assumption and the original assumption of quasi-uniform distribution of the space charge density (QCD). The relations between the ion fluxes at limiting and overlimiting currents are discussed. In particular, attention is paid to the "exaltation" of counterion transfer toward an ion-exchange membrane by co-ion flux leaking through the membrane or generated at the membrane/solution interface. The structure of the multi-ion concentration field in a depleted diffusion boundary layer (DBL) near an ion-exchange membrane at overlimiting currents is analyzed. The presence of salt ions and hydrogen and hydroxyl ions generated in the course of the water "splitting" reaction is considered. The thickness of the DBL and its different zones, as functions of applied current density, are found by fitting experimental current

Parallel performance and accuracy of lattice Boltzmann and traditional finite difference methods for solving the unsteady two-dimensional Burger's equation

Science.gov (United States)

Velivelli, A. C.; Bryden, K. M.

2006-03-01

Lattice Boltzmann methods are gaining recognition in the field of computational fluid dynamics due to their computational efficiency. In order to quantify the computational efficiency and accuracy of the lattice Boltzmann method, it is compared with efficient traditional finite difference methods such as the alternating direction implicit scheme. The lattice Boltzmann algorithm implemented in previous studies does not approach peak performance for simulations where the data involved in computation per time step is more than the cache size. Due to this, data is obtained from the main memory and this access is much slower than access to cache memory. Using a cache-optimized lattice Boltzmann algorithm, this paper takes into account the full computational strength of the lattice Boltzmann method. The com parison is performed on both a single processor and multiple processors.

Dynamics of a prey-predator system under Poisson white noise excitation

Science.gov (United States)

Pan, Shan-Shan; Zhu, Wei-Qiu

2014-10-01

The classical Lotka-Volterra (LV) model is a well-known mathematical model for prey-predator ecosystems. In the present paper, the pulse-type version of stochastic LV model, in which the effect of a random natural environment has been modeled as Poisson white noise, is investigated by using the stochastic averaging method. The averaged generalized Itô stochastic differential equation and Fokker-Planck-Kolmogorov (FPK) equation are derived for prey-predator ecosystem driven by Poisson white noise. Approximate stationary solution for the averaged generalized FPK equation is obtained by using the perturbation method. The effect of prey self-competition parameter ɛ2 s on ecosystem behavior is evaluated. The analytical result is confirmed by corresponding Monte Carlo (MC) simulation.

Risk Sensitive Filtering with Poisson Process Observations

International Nuclear Information System (INIS)

Malcolm, W. P.; James, M. R.; Elliott, R. J.

2000-01-01

In this paper we consider risk sensitive filtering for Poisson process observations. Risk sensitive filtering is a type of robust filtering which offers performance benefits in the presence of uncertainties. We derive a risk sensitive filter for a stochastic system where the signal variable has dynamics described by a diffusion equation and determines the rate function for an observation process. The filtering equations are stochastic integral equations. Computer simulations are presented to demonstrate the performance gain for the risk sensitive filter compared with the risk neutral filter

Lattice gas cellular automata and lattice Boltzmann models an introduction

CERN Document Server

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.

Numerical simulation of diffuse double layer around microporous electrodes based on the Poisson–Boltzmann equation

International Nuclear Information System (INIS)

Kitazumi, Yuki; Shirai, Osamu; Yamamoto, Masahiro; Kano, Kenji

2013-01-01

Graphical abstract: - Highlights: • Diffuse double layers overlap with each other in the micropore. • The overlapping of the diffuse double layer affects the double layer capacitance. • The electric field becomes weak in the micropore. • The electroneutrality is unsatisfactory in the micropore. - Abstract: The structure of the diffuse double layer around a nm-sized micropore on porous electrodes has been studied by numerical simulation using the Poisson–Boltzmann equation. The double layer capacitance of the microporous electrode strongly depends on the electrode potential, the electrolyte concentration, and the size of the micropore. The potential and the electrolyte concentration dependence of the capacitance is different from that of the planner electrode based on the Gouy's theory. The overlapping of the diffuse double layer becomes conspicuous in the micropore. The overlapped diffuse double layer provides the mild electric field. The intensified electric field exists at the rim of the orifice of the micropore because of the expansion of the diffuse double layers. The characteristic features of microporous electrodes are caused by the heterogeneity of the electric field around the micropores

Reference manual for the POISSON/SUPERFISH Group of Codes

Energy Technology Data Exchange (ETDEWEB)

1987-01-01

The POISSON/SUPERFISH Group codes were set up to solve two separate problems: the design of magnets and the design of rf cavities in a two-dimensional geometry. The first stage of either problem is to describe the layout of the magnet or cavity in a way that can be used as input to solve the generalized Poisson equation for magnets or the Helmholtz equations for cavities. The computer codes require that the problems be discretized by replacing the differentials (dx,dy) by finite differences ({delta}X,{delta}Y). Instead of defining the function everywhere in a plane, the function is defined only at a finite number of points on a mesh in the plane.

Contravariant gravity on Poisson manifolds and Einstein gravity

International Nuclear Information System (INIS)

Kaneko, Yukio; Watamura, Satoshi; Muraki, Hisayoshi

2017-01-01

A relation between gravity on Poisson manifolds proposed in Asakawa et al (2015 Fortschr. Phys . 63 683–704) and Einstein gravity is investigated. The compatibility of the Poisson and Riemann structures defines a unique connection, the contravariant Levi-Civita connection, and leads to the idea of the contravariant gravity. The Einstein–Hilbert-type action yields an equation of motion which is written in terms of the analog of the Einstein tensor, and it includes couplings between the metric and the Poisson tensor. The study of the Weyl transformation reveals properties of those interactions. It is argued that this theory can have an equivalent description as a system of Einstein gravity coupled to matter. As an example, it is shown that the contravariant gravity on a two-dimensional Poisson manifold can be described by a real scalar field coupled to the metric in a specific manner. (paper)

Ion-specific thermodynamical properties of aqueous proteins

Directory of Open Access Journals (Sweden)

Eduardo R.A. Lima

2010-03-01

Full Text Available Ion-specific interactions between two colloidal particles are calculated using a modified Poisson-Boltzmann (PBequationandMonteCarlo(MCsimulations. PBequationspresentgoodresultsofionicconcentration profiles around a macroion, especially for salt solutions containing monovalent ions. These equations include not only electrostatic interactions, but also dispersion potentials originated from polarizabilities of ions and proteins. This enables us to predict ion-specific properties of colloidal systems. We compared results obtained from the modified PB equation with those from MC simulations and integral equations. Phase diagrams and osmotic second virial coefficients are also presented for different salt solutions at different pH and ionic strengths, in agreement with the experimental results observed Hofmeister effects. In order to include the water structure and hydration effect, we have used an effective interaction obtained from molecular dynamics of each ion and a hydrophobic surface combined with PB equation. The method has been proved to be efficient and suitable for describing phenomena where the water structure close to the interface plays an essential role. Important thermodynamic properties related to protein aggregation, essential in biotechnology and pharmaceutical industries, can be obtained from the method shown here.Interações íon-específicas (dependentes do tipo de íon presente em solução entre duas partículas coloidais são calculadas usando a equação de Poisson-Boltzmann (PB modificada e simulações de Monte Carlo (MC. As equações de PB apresentam bons resultados de perfis de concentração nas proximidades de um macro-íon, principalmente para soluções salinas contendo íons monovalentes. Estas equações incluem não só interações eletrostáticas, mas também potenciais de dispersão, que têm origem nas polarizabilidades de íons e proteínas, permitindo a predição de propriedades íon-específicas de

The charge effect on the hindrance factors for diffusion and convection of a solute in pores: II

Energy Technology Data Exchange (ETDEWEB)

Akinaga, Takeshi; O-tani, Hideyuki; Sugihara-Seki, Masako, E-mail: r091077@kansai-u.ac.jp [Department of Pure and Applied Physics, Kansai University, Yamate-cho, Suita, Osaka 564-8680 (Japan)

2012-10-15

The diffusion and convection of a solute suspended in a fluid across porous membranes are known to be reduced compared to those in a bulk solution, owing to the fluid mechanical interaction between the solute and the pore wall as well as steric restriction. If the solute and the pore wall are electrically charged, the electrostatic interaction between them could affect the hindrance to diffusion and convection. In this study, the transport of charged spherical solutes through charged circular cylindrical pores filled with an electrolyte solution containing small ions was studied numerically by using a fluid mechanical and electrostatic model. Based on a mean field theory, the electrostatic interaction energy between the solute and the pore wall was estimated from the Poisson-Boltzmann equation, and the charge effect on the solute transport was examined for the solute and pore wall of like charge. The results were compared with those obtained from the linearized form of the Poisson-Boltzmann equation, i.e. the Debye-Hueckel equation. (paper)

Zeroth Poisson Homology, Foliated Cohomology and Perfect Poisson Manifolds

Science.gov (United States)

Martínez-Torres, David; Miranda, Eva

2018-01-01

We prove that, for compact regular Poisson manifolds, the zeroth homology group is isomorphic to the top foliated cohomology group, and we give some applications. In particular, we show that, for regular unimodular Poisson manifolds, top Poisson and foliated cohomology groups are isomorphic. Inspired by the symplectic setting, we define what a perfect Poisson manifold is. We use these Poisson homology computations to provide families of perfect Poisson manifolds.

The linearized pressure Poisson equation for global instability analysis of incompressible flows

Science.gov (United States)

Theofilis, Vassilis

2017-12-01

The linearized pressure Poisson equation (LPPE) is used in two and three spatial dimensions in the respective matrix-forming solution of the BiGlobal and TriGlobal eigenvalue problem in primitive variables on collocated grids. It provides a disturbance pressure boundary condition which is compatible with the recovery of perturbation velocity components that satisfy exactly the linearized continuity equation. The LPPE is employed to analyze instability in wall-bounded flows and in the prototype open Blasius boundary layer flow. In the closed flows, excellent agreement is shown between results of the LPPE and those of global linear instability analyses based on the time-stepping nektar++, Semtex and nek5000 codes, as well as with those obtained from the FreeFEM++ matrix-forming code. In the flat plate boundary layer, solutions extracted from the two-dimensional LPPE eigenvector at constant streamwise locations are found to be in very good agreement with profiles delivered by the NOLOT/PSE space marching code. Benchmark eigenvalue data are provided in all flows analyzed. The performance of the LPPE is seen to be superior to that of the commonly used pressure compatibility (PC) boundary condition: at any given resolution, the discrete part of the LPPE eigenspectrum contains converged and not converged, but physically correct, eigenvalues. By contrast, the PC boundary closure delivers some of the LPPE eigenvalues and, in addition, physically wrong eigenmodes. It is concluded that the LPPE should be used in place of the PC pressure boundary closure, when BiGlobal or TriGlobal eigenvalue problems are solved in primitive variables by the matrix-forming approach on collocated grids.

Prescription-induced jump distributions in multiplicative Poisson processes.

Science.gov (United States)

Suweis, Samir; Porporato, Amilcare; Rinaldo, Andrea; Maritan, Amos

2011-06-01

Generalized Langevin equations (GLE) with multiplicative white Poisson noise pose the usual prescription dilemma leading to different evolution equations (master equations) for the probability distribution. Contrary to the case of multiplicative Gaussian white noise, the Stratonovich prescription does not correspond to the well-known midpoint (or any other intermediate) prescription. By introducing an inertial term in the GLE, we show that the Itô and Stratonovich prescriptions naturally arise depending on two time scales, one induced by the inertial term and the other determined by the jump event. We also show that, when the multiplicative noise is linear in the random variable, one prescription can be made equivalent to the other by a suitable transformation in the jump probability distribution. We apply these results to a recently proposed stochastic model describing the dynamics of primary soil salinization, in which the salt mass balance within the soil root zone requires the analysis of different prescriptions arising from the resulting stochastic differential equation forced by multiplicative white Poisson noise, the features of which are tailored to the characters of the daily precipitation. A method is finally suggested to infer the most appropriate prescription from the data.

Prescription-induced jump distributions in multiplicative Poisson processes

Science.gov (United States)

Suweis, Samir; Porporato, Amilcare; Rinaldo, Andrea; Maritan, Amos

2011-06-01

Generalized Langevin equations (GLE) with multiplicative white Poisson noise pose the usual prescription dilemma leading to different evolution equations (master equations) for the probability distribution. Contrary to the case of multiplicative Gaussian white noise, the Stratonovich prescription does not correspond to the well-known midpoint (or any other intermediate) prescription. By introducing an inertial term in the GLE, we show that the Itô and Stratonovich prescriptions naturally arise depending on two time scales, one induced by the inertial term and the other determined by the jump event. We also show that, when the multiplicative noise is linear in the random variable, one prescription can be made equivalent to the other by a suitable transformation in the jump probability distribution. We apply these results to a recently proposed stochastic model describing the dynamics of primary soil salinization, in which the salt mass balance within the soil root zone requires the analysis of different prescriptions arising from the resulting stochastic differential equation forced by multiplicative white Poisson noise, the features of which are tailored to the characters of the daily precipitation. A method is finally suggested to infer the most appropriate prescription from the data.

Using PIV to determine relative pressures in a stenotic phantom under steady flow based on the pressure-poisson equation.

Science.gov (United States)

Khodarahmi, Iman; Shakeri, Mostafa; Sharp, M; Amini, Amir A

2010-01-01

Pressure gradient across a Gaussian-shaped 87% area stenosis phantom was estimated by solving the pressure Poisson equation (PPE) for a steady flow mimicking the blood flow through the human iliac artery. The velocity field needed to solve the pressure equation was obtained using particle image velocimetry (PIV). A steady flow rate of 46.9 ml/s was used, which corresponds to a Reynolds number of 188 and 595 at the inlet and stenosis throat, respectively (in the range of mean Reynolds number encountered in-vivo). In addition, computational fluid dynamics (CFD) simulation of the same flow was performed. Pressure drops across the stenosis predicted by PPE/PIV and CFD were compared with those measured by a pressure catheter transducer. RMS errors relative to the measurements were 17% and 10% for PPE/PIV and CFD, respectively.

Polynomial Poisson algebras: Gel'fand-Kirillov problem and Poisson spectra

OpenAIRE

Lecoutre, César

2014-01-01

We study the fields of fractions and the Poisson spectra of polynomial Poisson algebras.\\ud \\ud First we investigate a Poisson birational equivalence problem for polynomial Poisson algebras over a field of arbitrary characteristic. Namely, the quadratic Poisson Gel'fand-Kirillov problem asks whether the field of fractions of a Poisson algebra is isomorphic to the field of fractions of a Poisson affine space, i.e. a polynomial algebra such that the Poisson bracket of two generators is equal to...

Poisson structures for reduced non-holonomic systems

International Nuclear Information System (INIS)

Ramos, Arturo

2004-01-01

Borisov, Mamaev and Kilin have recently found certain Poisson structures with respect to which the reduced and rescaled systems of certain non-holonomic problems, involving rolling bodies without slipping, become Hamiltonian, the Hamiltonian function being the reduced energy. We study further the algebraic origin of these Poisson structures, showing that they are of rank 2 and therefore the mentioned rescaling is not necessary. We show that they are determined, up to a non-vanishing factor function, by the existence of a system of first-order differential equations providing two integrals of motion. We generalize the form of the Poisson structures and extend their domain of definition. We apply the theory to the rolling disc, the Routh's sphere, the ball rolling on a surface of revolution, and its special case of a ball rolling inside a cylinder

Boltzmann

International Nuclear Information System (INIS)

Lin, X.

1991-01-01

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

Lattice Boltzmann method for bosons and fermions and the fourth-order Hermite polynomial expansion.

Science.gov (United States)

Coelho, Rodrigo C V; Ilha, Anderson; Doria, Mauro M; Pereira, R M; Aibe, Valter Yoshihiko

2014-04-01

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 to the fourth order to correctly describe the energy equation. The viscosity and thermal coefficients, previously obtained by Yang et al. [Shi and Yang, J. Comput. Phys. 227, 9389 (2008); Yang and Hung, Phys. Rev. E 79, 056708 (2009)] 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 to fourth order in the Hermite polynomials.

Deviations from the Boltzmann distribution in vibrationally excited gas flows

International Nuclear Information System (INIS)

Offenhaeuser, F.; Frohn, A.

1986-01-01

A new model for the exchange of vibrational energy in one-dimensional flows of CO 2 -H 2 O-N 2 -O 2 -He gas mixtures is presented. In contrast to previous models, the assumption of local Boltzmann distributions for the vibrational degrees of freedom is not required. This generalization was achieved by the assumption that the molecules are harmonic oscillators with one or more degrees of freedom represented by finite numbers of energy levels. The population densities of these energy levels are coupled by a set of rate equations. It is shown that in some cases of molecular gas flow the Boltzmann distribution for the vibrational degrees of freedom may be disturbed. 12 references

Bayesian Estimation Of Shift Point In Poisson Model Under Asymmetric Loss Functions

Directory of Open Access Journals (Sweden)

uma srivastava

2012-01-01

Full Text Available The paper deals with estimating  shift point which occurs in any sequence of independent observations  of Poisson model in statistical process control. This shift point occurs in the sequence when  i.e. m  life data are observed. The Bayes estimator on shift point 'm' and before and after shift process means are derived for symmetric and asymmetric loss functions under informative and non informative priors. The sensitivity analysis of Bayes estimators are carried out by simulation and numerical comparisons with  R-programming. The results shows the effectiveness of shift in sequence of Poisson disribution .

Performance of the modified Poisson regression approach for estimating relative risks from clustered prospective data.

Science.gov (United States)

Yelland, Lisa N; Salter, Amy B; Ryan, Philip

2011-10-15

Modified Poisson regression, which combines a log Poisson regression model with robust variance estimation, is a useful alternative to log binomial regression for estimating relative risks. Previous studies have shown both analytically and by simulation that modified Poisson regression is appropriate for independent prospective data. This method is often applied to clustered prospective data, despite a lack of evidence to support its use in this setting. The purpose of this article is to evaluate the performance of the modified Poisson regression approach for estimating relative risks from clustered prospective data, by using generalized estimating equations to account for clustering. A simulation study is conducted to compare log binomial regression and modified Poisson regression for analyzing clustered data from intervention and observational studies. Both methods generally perform well in terms of bias, type I error, and coverage. Unlike log binomial regression, modified Poisson regression is not prone to convergence problems. The methods are contrasted by using example data sets from 2 large studies. The results presented in this article support the use of modified Poisson regression as an alternative to log binomial regression for analyzing clustered prospective data when clustering is taken into account by using generalized estimating equations.

The Lattice Boltzmann Method applied to neutron transport

International Nuclear Information System (INIS)

Erasmus, B.; Van Heerden, F. A.

2013-01-01

In this paper the applicability of the Lattice Boltzmann Method to neutron transport is investigated. One of the main features of the Lattice Boltzmann method is the simultaneous discretization of the phase space of the problem, whereby particles are restricted to move on a lattice. An iterative solution of the operator form of the neutron transport equation is presented here, with the first collision source as the starting point of the iteration scheme. A full description of the discretization scheme is given, along with the quadrature set used for the angular discretization. An angular refinement scheme is introduced to increase the angular coverage of the problem phase space and to mitigate lattice ray effects. The method is applied to a model problem to investigate its applicability to neutron transport and the results are compared to a reference solution calculated, using MCNP. (authors)

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

KAUST Repository

Allen, Rebecca; Reis, Tim

2016-01-01

moments, which are then translated into conditions for the discrete velocity distribution functions. The method is formulated so that it is consistent with the second order implementation of the discrete velocity Boltzmann equations for fluid flow

On the Fedosov deformation quantization beyond the regular Poisson manifolds

International Nuclear Information System (INIS)

Dolgushev, V.A.; Isaev, A.P.; Lyakhovich, S.L.; Sharapov, A.A.

2002-01-01

A simple iterative procedure is suggested for the deformation quantization of (irregular) Poisson brackets associated to the classical Yang-Baxter equation. The construction is shown to admit a pure algebraic reformulation giving the Universal Deformation Formula (UDF) for any triangular Lie bialgebra. A simple proof of classification theorem for inequivalent UDF's is given. As an example the explicit quantization formula is presented for the quasi-homogeneous Poisson brackets on two-plane

Adaptive Non-Boltzmann Monte Carlo

International Nuclear Information System (INIS)

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

1998-01-01

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

Adaptive Non-Boltzmann Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

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

1998-06-01

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

Moving charged particles in lattice Boltzmann-based electrokinetics

Science.gov (United States)

Kuron, Michael; Rempfer, Georg; Schornbaum, Florian; Bauer, Martin; Godenschwager, Christian; Holm, Christian; de Graaf, Joost

2016-12-01

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 algorithm for the simulation of hydrodynamic flow and exploits computational locality. However, thus far, a description of how to incorporate moving boundary conditions into the Capuani scheme has been lacking. Moving boundary conditions are needed to simulate multiple arbitrarily moving colloids. In this paper, we detail how to introduce such a particle coupling scheme, based on an analogue to the moving boundary method for the pure lattice Boltzmann solver. The key ingredients in our method are mass and charge conservation for the solute species and a partial-volume smoothing of the solute fluxes to minimize discretization artifacts. We demonstrate our algorithm's effectiveness by simulating the electrophoresis of charged spheres in an external field; for a single sphere we compare to the equivalent electro-osmotic (co-moving) problem. Our method's efficiency and ease of implementation should prove beneficial to future simulations of the dynamics in a wide range of complex nanoscopic and colloidal systems that were previously inaccessible to lattice-based continuum algorithms.

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

KAUST Repository

Xiong, Yuan

2014-04-28

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

Moments analysis of concurrent Poisson processes

International Nuclear Information System (INIS)

McBeth, G.W.; Cross, P.

1975-01-01

A moments analysis of concurrent Poisson processes has been carried out. Equations are given which relate combinations of distribution moments to sums of products involving the number of counts associated with the processes and the mean rate of the processes. Elimination of background is discussed and equations suitable for processing random radiation, parent-daughter pairs in the presence of background, and triple and double correlations in the presence of background are given. The theory of identification of the four principle radioactive series by moments analysis is discussed. (Auth.)

Solution of Poisson equations for 3-dimensional grid generations. [computations of a flow field over a thin delta wing

Science.gov (United States)

Fujii, K.

1983-01-01

A method for generating three dimensional, finite difference grids about complicated geometries by using Poisson equations is developed. The inhomogenous terms are automatically chosen such that orthogonality and spacing restrictions at the body surface are satisfied. Spherical variables are used to avoid the axis singularity, and an alternating-direction-implicit (ADI) solution scheme is used to accelerate the computations. Computed results are presented that show the capability of the method. Since most of the results presented have been used as grids for flow-field computations, this is indicative that the method is a useful tool for generating three-dimensional grids about complicated geometries.

Quantization with maximally degenerate Poisson brackets: the harmonic oscillator!

International Nuclear Information System (INIS)

Nutku, Yavuz

2003-01-01

Nambu's construction of multi-linear brackets for super-integrable systems can be thought of as degenerate Poisson brackets with a maximal set of Casimirs in their kernel. By introducing privileged coordinates in phase space these degenerate Poisson brackets are brought to the form of Heisenberg's equations. We propose a definition for constructing quantum operators for classical functions, which enables us to turn the maximally degenerate Poisson brackets into operators. They pose a set of eigenvalue problems for a new state vector. The requirement of the single-valuedness of this eigenfunction leads to quantization. The example of the harmonic oscillator is used to illustrate this general procedure for quantizing a class of maximally super-integrable systems

Poisson brackets for fluids and plasmas

International Nuclear Information System (INIS)

Morrison, P.J.

1982-01-01

Noncanonical yet Hamiltonian descriptions are presented of many of the non-dissipative field equations that govern fluids and plasmas. The dynamical variables are the usually encountered physical variables. These descriptions have the advantage that gauge conditions are absent, but at the expense of introducing peculiar Poisson brackets. Clebsch-like potential descriptions that reverse this situations are also introduced

Lattice Boltzmann model for simulating immiscible two-phase flows

International Nuclear Information System (INIS)

Reis, T; Phillips, T N

2007-01-01

The lattice Boltzmann equation is often promoted as a numerical simulation tool that is particularly suitable for predicting the flow of complex fluids. This paper develops a two-dimensional 9-velocity (D2Q9) lattice Boltzmann model for immiscible binary fluids with variable viscosities and density ratio using a single relaxation time for each fluid. In the macroscopic limit, this model is shown to recover the Navier-Stokes equations for two-phase flows. This is achieved by constructing a two-phase component of the collision operator that induces the appropriate surface tension term in the macroscopic equations. A theoretical expression for surface tension is determined. The validity of this analysis is confirmed by comparing numerical and theoretical predictions of surface tension as a function of density. The model is also shown to predict Laplace's law for surface tension and Poiseuille flow of layered immiscible binary fluids. The spinodal decomposition of two fluids of equal density but different viscosity is then studied. At equilibrium, the system comprises one large low viscosity bubble enclosed by the more viscous fluid in agreement with theoretical arguments of Renardy and Joseph (1993 Fundamentals of Two-Fluid Dynamics (New York: Springer)). Two other simulations, namely the non-equilibrium rod rest and the coalescence of two bubbles, are performed to show that this model can be used to simulate two fluids with a large density ratio

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

International Nuclear Information System (INIS)

Yousfi, M.; Benabdessadok, M.D.

1996-01-01

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

On terminating Poisson processes in some shock models

Energy Technology Data Exchange (ETDEWEB)

Finkelstein, Maxim, E-mail: FinkelMI@ufs.ac.z [Department of Mathematical Statistics, University of the Free State, Bloemfontein (South Africa); Max Planck Institute for Demographic Research, Rostock (Germany); Marais, Francois, E-mail: fmarais@csc.co [CSC, Cape Town (South Africa)

2010-08-15

A system subject to a point process of shocks is considered. Shocks occur in accordance with the homogeneous Poisson process. Different criteria of system failure (termination) are discussed and the corresponding probabilities of failure (accident)-free performance are derived. The described analytical approach is based on deriving integral equations for each setting and solving these equations through the Laplace transform. Some approximations are analyzed and further generalizations and applications are discussed.

On terminating Poisson processes in some shock models

International Nuclear Information System (INIS)

Finkelstein, Maxim; Marais, Francois

2010-01-01

A system subject to a point process of shocks is considered. Shocks occur in accordance with the homogeneous Poisson process. Different criteria of system failure (termination) are discussed and the corresponding probabilities of failure (accident)-free performance are derived. The described analytical approach is based on deriving integral equations for each setting and solving these equations through the Laplace transform. Some approximations are analyzed and further generalizations and applications are discussed.

A GPU accelerated and error-controlled solver for the unbounded Poisson equation in three dimensions

Science.gov (United States)

Exl, Lukas

2017-12-01

An efficient solver for the three dimensional free-space Poisson equation is presented. The underlying numerical method is based on finite Fourier series approximation. While the error of all involved approximations can be fully controlled, the overall computation error is driven by the convergence of the finite Fourier series of the density. For smooth and fast-decaying densities the proposed method will be spectrally accurate. The method scales with O(N log N) operations, where N is the total number of discretization points in the Cartesian grid. The majority of the computational costs come from fast Fourier transforms (FFT), which makes it ideal for GPU computation. Several numerical computations on CPU and GPU validate the method and show efficiency and convergence behavior. Tests are performed using the Vienna Scientific Cluster 3 (VSC3). A free MATLAB implementation for CPU and GPU is provided to the interested community.

Hydrodynamics beyond Navier-Stokes: exact solution to the lattice Boltzmann hierarchy.

Science.gov (United States)

Ansumali, S; Karlin, I V; Arcidiacono, S; Abbas, A; Prasianakis, N I

2007-03-23

The exact solution to the hierarchy of nonlinear lattice Boltzmann (LB) kinetic equations in the stationary planar Couette flow is found at nonvanishing Knudsen numbers. A new method of solving LB kinetic equations which combines the method of moments with boundary conditions for populations enables us to derive closed-form solutions for all higher-order moments. A convergence of results suggests that the LB hierarchy with larger velocity sets is the novel way to approximate kinetic theory.

Optimal linear filtering of Poisson process with dead time

International Nuclear Information System (INIS)

Glukhova, E.V.

1993-01-01

The paper presents a derivation of an integral equation defining the impulsed transient of optimum linear filtering for evaluation of the intensity of the fluctuating Poisson process with allowance for dead time of transducers

Finite Boltzmann schemes

NARCIS (Netherlands)

Sman, van der R.G.M.

2006-01-01

In the special case of relaxation parameter = 1 lattice Boltzmann schemes for (convection) diffusion and fluid flow are equivalent to finite difference/volume (FD) schemes, and are thus coined finite Boltzmann (FB) schemes. We show that the equivalence is inherent to the homology of the

Independent production and Poisson distribution

International Nuclear Information System (INIS)

Golokhvastov, A.I.

1994-01-01

The well-known statement of factorization of inclusive cross-sections in case of independent production of particles (or clusters, jets etc.) and the conclusion of Poisson distribution over their multiplicity arising from it do not follow from the probability theory in any way. Using accurately the theorem of the product of independent probabilities, quite different equations are obtained and no consequences relative to multiplicity distributions are obtained. 11 refs

Null canonical formalism 1, Maxwell field. [Poisson brackets, boundary conditions

Energy Technology Data Exchange (ETDEWEB)

Wodkiewicz, K [Warsaw Univ. (Poland). Inst. Fizyki Teoretycznej

1975-01-01

The purpose of this paper is to formulate the canonical formalism on null hypersurfaces for the Maxwell electrodynamics. The set of the Poisson brackets relations for null variables of the Maxwell field is obtained. The asymptotic properties of the theory are investigated. The Poisson bracket relations for the news-functions of the Maxwell field are computed. The Hamiltonian form of the asymptotic Maxwell equations in terms of these news-functions is obtained.

Normal forms for Poisson maps and symplectic groupoids around Poisson transversals.

Science.gov (United States)

Frejlich, Pedro; Mărcuț, Ioan

2018-01-01

Poisson transversals are submanifolds in a Poisson manifold which intersect all symplectic leaves transversally and symplectically. In this communication, we prove a normal form theorem for Poisson maps around Poisson transversals. A Poisson map pulls a Poisson transversal back to a Poisson transversal, and our first main result states that simultaneous normal forms exist around such transversals, for which the Poisson map becomes transversally linear, and intertwines the normal form data of the transversals. Our second result concerns symplectic integrations. We prove that a neighborhood of a Poisson transversal is integrable exactly when the Poisson transversal itself is integrable, and in that case we prove a normal form theorem for the symplectic groupoid around its restriction to the Poisson transversal, which puts all structure maps in normal form. We conclude by illustrating our results with examples arising from Lie algebras.

Existence theory for a Poisson-Nernst-Planck model of electrophoresis

OpenAIRE

Bedin, Luciano; Thompson, Mark

2011-01-01

A system modeling the electrophoretic motion of a charged rigid macromolecule immersed in a incompressible ionized fluid is considered. The ionic concentration is governing by the Nernst-Planck equation coupled with the Poisson equation for the electrostatic potential, Navier-Stokes and Newtonian equations for the fluid and the macromolecule dynamics, respectively. A local in time existence result for suitable weak solutions is established, following the approach of Desjardins and Esteban [Co...

Neutron transport equation - indications on homogenization and neutron diffusion

International Nuclear Information System (INIS)

Argaud, J.P.

1992-06-01

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

Comparison of Poisson structures and Poisson-Lie dynamical r-matrices

OpenAIRE

Enriquez, B.; Etingof, P.; Marshall, I.

2004-01-01

We construct a Poisson isomorphism between the formal Poisson manifolds g^* and G^*, where g is a finite dimensional quasitriangular Lie bialgebra. Here g^* is equipped with its Lie-Poisson (or Kostant-Kirillov-Souriau) structure, and G^* with its Poisson-Lie structure. We also quantize Poisson-Lie dynamical r-matrices of Balog-Feher-Palla.

Hydronium-dominated ion transport in carbon-dioxide-saturated electrolytes at low salt concentrations in nanochannels

DEFF Research Database (Denmark)

Lund Jensen, Kristian; Kristensen, Jesper Toft; Crumrine, Andrew Michael

2011-01-01

the nanochannel conductance at low salt concentrations and identify a conductance minimum before saturation at a value independent of salt concentration in the dilute limit. Via the Poisson-Boltzmann equation, our model self-consistently couples chemical-equilibrium dissociation models of the silica wall...

On Poisson functions

OpenAIRE

Terashima, Yuji

2008-01-01

In this paper, defining Poisson functions on super manifolds, we show that the graphs of Poisson functions are Dirac structures, and find Poisson functions which include as special cases both quasi-Poisson structures and twisted Poisson structures.

THE FUTILE SEARCH FOR GALACTIC DISK DARK MATTER

International Nuclear Information System (INIS)

Garrido Pestana, Jose Luis; Eckhardt, Donald H.

2010-01-01

Several approaches have been used to search for dark matter in our galactic disk, but with mixed results: maybe yes and maybe no. The prevailing approach, integrating the Poisson-Boltzmann equation for tracer stars, has led to more definitive results: yes and no. The touchstone 'yes' analysis of Bahcall et al. has subsequently been confirmed or refuted by various other investigators. This has been our motivation for approaching the search from a different direction: applying the virial theorem to extant data. We conclude that the vertical density profile of the disk is not in a state of equilibrium and, therefore, that the Poisson-Boltzmann approach is inappropriate and it thereby leads to indefensible conclusions.

Efficiency optimization of a fast Poisson solver in beam dynamics simulation

Science.gov (United States)

Zheng, Dawei; Pöplau, Gisela; van Rienen, Ursula

2016-01-01

Calculating the solution of Poisson's equation relating to space charge force is still the major time consumption in beam dynamics simulations and calls for further improvement. In this paper, we summarize a classical fast Poisson solver in beam dynamics simulations: the integrated Green's function method. We introduce three optimization steps of the classical Poisson solver routine: using the reduced integrated Green's function instead of the integrated Green's function; using the discrete cosine transform instead of discrete Fourier transform for the Green's function; using a novel fast convolution routine instead of an explicitly zero-padded convolution. The new Poisson solver routine preserves the advantages of fast computation and high accuracy. This provides a fast routine for high performance calculation of the space charge effect in accelerators.

Structure and osmotic pressure of ionic microgel dispersions

Energy Technology Data Exchange (ETDEWEB)

Hedrick, Mary M. [Department of Physics, North Dakota State University, Fargo, North Dakota 58108-6050 (United States); Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108-6050 (United States); Chung, Jun Kyung; Denton, Alan R., E-mail: alan.denton@ndsu.edu [Department of Physics, North Dakota State University, Fargo, North Dakota 58108-6050 (United States)

2015-01-21

We investigate structural and thermodynamic properties of aqueous dispersions of ionic microgels—soft colloidal gel particles that exhibit unusual phase behavior. Starting from a coarse-grained model of microgel macroions as charged spheres that are permeable to microions, we perform simulations and theoretical calculations using two complementary implementations of Poisson-Boltzmann (PB) theory. Within a one-component model, based on a linear-screening approximation for effective electrostatic pair interactions, we perform molecular dynamics simulations to compute macroion-macroion radial distribution functions, static structure factors, and macroion contributions to the osmotic pressure. For the same model, using a variational approximation for the free energy, we compute both macroion and microion contributions to the osmotic pressure. Within a spherical cell model, which neglects macroion correlations, we solve the nonlinear PB equation to compute microion distributions and osmotic pressures. By comparing the one-component and cell model implementations of PB theory, we demonstrate that the linear-screening approximation is valid for moderately charged microgels. By further comparing cell model predictions with simulation data for osmotic pressure, we chart the cell model’s limits in predicting osmotic pressures of salty dispersions.

Structure and osmotic pressure of ionic microgel dispersions

International Nuclear Information System (INIS)

Hedrick, Mary M.; Chung, Jun Kyung; Denton, Alan R.

2015-01-01

We investigate structural and thermodynamic properties of aqueous dispersions of ionic microgels—soft colloidal gel particles that exhibit unusual phase behavior. Starting from a coarse-grained model of microgel macroions as charged spheres that are permeable to microions, we perform simulations and theoretical calculations using two complementary implementations of Poisson-Boltzmann (PB) theory. Within a one-component model, based on a linear-screening approximation for effective electrostatic pair interactions, we perform molecular dynamics simulations to compute macroion-macroion radial distribution functions, static structure factors, and macroion contributions to the osmotic pressure. For the same model, using a variational approximation for the free energy, we compute both macroion and microion contributions to the osmotic pressure. Within a spherical cell model, which neglects macroion correlations, we solve the nonlinear PB equation to compute microion distributions and osmotic pressures. By comparing the one-component and cell model implementations of PB theory, we demonstrate that the linear-screening approximation is valid for moderately charged microgels. By further comparing cell model predictions with simulation data for osmotic pressure, we chart the cell model’s limits in predicting osmotic pressures of salty dispersions

Action principles for the Vlasov equation

International Nuclear Information System (INIS)

Ye, H.; Morrison, P.J.

1992-01-01

Five action principles for the Vlasov--Poisson and Vlasov--Maxwell equations, which differ by the variables incorporated to describe the distribution of particles in phase space, are presented. Three action principles previously known for the Vlasov--Maxwell equations are altered so as to produce the Vlasov--Poisson equation upon variation with respect to only the particle variables, and one action principle previously known for the Vlasov--Poisson equation is altered to produce the Vlasov--Maxwell equations upon variations with respect to particle and field variables independently. Also, a new action principle for both systems, which is called the leaf action, is presented. This new action has the desirable features of using only a single generating function as the dynamical variable for describing the particle distribution, and manifestly preserving invariants of the system known as Casimir invariants. The relationships between the various actions are described, and it is shown that the leaf action is a link between actions written in terms of Lagrangian and Eulerian variables

A particle method with adjustable transport properties - the generalized consistent Boltzmann algorithm

International Nuclear Information System (INIS)

Garcia, A.L.; Alexander, F.J.; Alder, B.J.

1997-01-01

The consistent Boltzmann algorithm (CBA) for dense, hard-sphere gases is generalized to obtain the van der Waals equation of state and the corresponding exact viscosity at all densities except at the highest temperatures. A general scheme for adjusting any transport coefficients to higher values is presented

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

Science.gov (United States)

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

2018-01-01