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Sample records for collisionless boltzmann equation

  1. Flavored quantum Boltzmann equations

    SciTech Connect

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

    2010-05-15

    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.

  2. Lattice Boltzmann solver of Rossler equation

    NASA Astrophysics Data System (ADS)

    Yan, Guangwu; Ruan, Li

    2000-06-01

    We proposed a lattice Boltzmann model for the Rossler equation. Using a method of multiscales in the lattice Boltzmann model, we get the diffusion reaction as a special case. If the diffusion effect disappeared, we can obtain the lattice Boltzmann solution of the Rossler equation on the mesescopic scale. The numerical results show the method can be used to simulate Rossler equation.

  3. Classical Boltzmann equation and high-temperature QED

    NASA Astrophysics Data System (ADS)

    Brandt, F. T.; Ferreira, R. B.; Thuorst, J. F.

    2015-02-01

    The equivalence between thermal field theory and the Boltzmann transport equation is investigated at higher orders in the context of quantum electrodynamics. We compare the contributions obtained from the collisionless transport equation with the high temperature limit of the one-loop thermal Green's function. Our approach employs the representation of the thermal Green's functions in terms of forward scattering amplitudes. The general structure of these amplitudes clearly indicates that the physics described by the leading high temperature limit of quantum electrodynamics can be obtained from the Boltzman transport equation. We also present some explicit examples of this interesting equivalence.

  4. Global existence proof for relativistic Boltzmann equation

    SciTech Connect

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

    1992-02-01

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

  5. Analytic solutions of the relativistic Boltzmann equation

    NASA Astrophysics Data System (ADS)

    Hatta, Yoshitaka; Martinez, Mauricio; Xiao, Bo-Wen

    2015-04-01

    We present new analytic solutions to the relativistic Boltzmann equation within the relaxation time approximation. We first obtain spherically expanding solutions which are the kinetic counterparts of the exact solutions of the Israel-Stewart equation in the literature. This allows us to compare the solutions of the kinetic and hydrodynamic equations at an analytical level. We then derive a novel boost-invariant solution of the Boltzmann equation which has an unconventional dependence on the proper time. The existence of such a solution is also suggested in second-order hydrodynamics and fluid-gravity correspondence.

  6. The Boltzmann equation in the difference formulation

    SciTech Connect

    Szoke, Abraham; Brooks III, Eugene D.

    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.

  7. Classical non-Markovian Boltzmann equation

    SciTech Connect

    Alexanian, Moorad

    2014-08-01

    The modeling of particle transport involves anomalous diffusion, (x²(t) ) ∝ t{sup α} with α ≠ 1, with subdiffusive transport corresponding to 0 < α < 1 and superdiffusive transport to α > 1. These anomalies give rise to fractional advection-dispersion equations with memory in space and time. The usual Boltzmann equation, with only isolated binary collisions, is Markovian and, in particular, the contributions of the three-particle distribution function are neglected. We show that the inclusion of higher-order distribution functions give rise to an exact, non-Markovian Boltzmann equation with resulting transport equations for mass, momentum, and kinetic energy with memory in both time and space. The two- and the three-particle distribution functions are considered under the assumption that the two- and the three-particle correlation functions are translationally invariant that allows us to obtain advection-dispersion equations for modeling transport in terms of spatial and temporal fractional derivatives.

  8. Classical non-Markovian Boltzmann equation

    NASA Astrophysics Data System (ADS)

    Alexanian, Moorad

    2014-08-01

    The modeling of particle transport involves anomalous diffusion, ⟨x2(t) ⟩ ∝ tα with α ≠ 1, with subdiffusive transport corresponding to 0 < α < 1 and superdiffusive transport to α > 1. These anomalies give rise to fractional advection-dispersion equations with memory in space and time. The usual Boltzmann equation, with only isolated binary collisions, is Markovian and, in particular, the contributions of the three-particle distribution function are neglected. We show that the inclusion of higher-order distribution functions give rise to an exact, non-Markovian Boltzmann equation with resulting transport equations for mass, momentum, and kinetic energy with memory in both time and space. The two- and the three-particle distribution functions are considered under the assumption that the two- and the three-particle correlation functions are translationally invariant that allows us to obtain advection-dispersion equations for modeling transport in terms of spatial and temporal fractional derivatives.

  9. Entropic lattice Boltzmann model for Burgers's equation.

    PubMed

    Boghosian, Bruce M; Love, Peter; Yepez, Jeffrey

    2004-08-15

    Entropic lattice Boltzmann models are discrete-velocity models of hydrodynamics that possess a Lyapunov function. This feature makes them useful as nonlinearly stable numerical methods for integrating hydrodynamic equations. Over the last few years, such models have been successfully developed for the Navier-Stokes equations in two and three dimensions, and have been proposed as a new category of subgrid model of turbulence. In the present work we develop an entropic lattice Boltzmann model for Burgers's equation in one spatial dimension. In addition to its pedagogical value as a simple example of such a model, our result is actually a very effective way to simulate Burgers's equation in one dimension. At moderate to high values of viscosity, we confirm that it exhibits no trace of instability. At very small values of viscosity, however, we report the existence of oscillations of bounded amplitude in the vicinity of the shock, where gradient scale lengths become comparable with the grid size. As the viscosity decreases, the amplitude at which these oscillations saturate tends to increase. This indicates that, in spite of their nonlinear stability, entropic lattice Boltzmann models may become inaccurate when the ratio of gradient scale length to grid spacing becomes too small. Similar inaccuracies may limit the utility of the entropic lattice Boltzmann paradigm as a subgrid model of Navier-Stokes turbulence.

  10. Connection Between the Lattice Boltzmann Equation and the Beam Scheme

    NASA Technical Reports Server (NTRS)

    Xu, Kun; Luo, Li-Shi

    1999-01-01

    In this paper we analyze and compare the lattice Boltzmann equation with the beam scheme in details. We notice the similarity and differences between the lattice Boltzmann equation and the beam scheme. We show that the accuracy of the lattice Boltzmann equation is indeed second order in space. We discuss the advantages and limitations of lattice Boltzmann equation and the beam scheme. Based on our analysis, we propose an improved multi-dimensional beam scheme.

  11. Consistent lattice Boltzmann equations for phase transitions

    NASA Astrophysics Data System (ADS)

    Siebert, D. N.; Philippi, P. C.; Mattila, K. K.

    2014-11-01

    Unlike conventional computational fluid dynamics methods, the lattice Boltzmann method (LBM) describes the dynamic behavior of fluids in a mesoscopic scale based on discrete forms of kinetic equations. In this scale, complex macroscopic phenomena like the formation and collapse of interfaces can be naturally described as related to source terms incorporated into the kinetic equations. In this context, a novel athermal lattice Boltzmann scheme for the simulation of phase transition is proposed. The continuous kinetic model obtained from the Liouville equation using the mean-field interaction force approach is shown to be consistent with diffuse interface model using the Helmholtz free energy. Density profiles, interface thickness, and surface tension are analytically derived for a plane liquid-vapor interface. A discrete form of the kinetic equation is then obtained by applying the quadrature method based on prescribed abscissas together with a third-order scheme for the discretization of the streaming or advection term in the Boltzmann equation. Spatial derivatives in the source terms are approximated with high-order schemes. The numerical validation of the method is performed by measuring the speed of sound as well as by retrieving the coexistence curve and the interface density profiles. The appearance of spurious currents near the interface is investigated. The simulations are performed with the equations of state of Van der Waals, Redlich-Kwong, Redlich-Kwong-Soave, Peng-Robinson, and Carnahan-Starling.

  12. On the full Boltzmann equations for leptogenesis

    SciTech Connect

    Garayoa, J.; Pastor, S.; Pinto, T.; Rius, N.; Vives, O. E-mail: pastor@ific.uv.es E-mail: nuria@ific.uv.es

    2009-09-01

    We consider the full Boltzmann equations for standard and soft leptogenesis, instead of the usual integrated Boltzmann equations which assume kinetic equilibrium for all species. Decays and inverse decays may be inefficient for thermalising the heavy-(s)neutrino distribution function, leading to significant deviations from kinetic equilibrium. We analyse the impact of using the full kinetic equations in the case of a previously generated lepton asymmetry, and find that the washout of this initial asymmetry due to the interactions of the right-handed neutrino is larger than when calculated via the integrated equations. We also solve the full Boltzmann equations for soft leptogenesis, where the lepton asymmetry induced by the soft SUSY-breaking terms in sneutrino decays is a purely thermal effect, since at T = 0 the asymmetry in leptons cancels the one in sleptons. In this case, we obtain that in the weak washout regime (K ∼< 1) the final lepton asymmetry can change up to a factor four with respect to previous estimates.

  13. Non-markovian boltzmann equation

    SciTech Connect

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

    1997-08-01

    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.

  14. Time-dependent closure relations for relativistic collisionless fluid equations

    SciTech Connect

    Bendib-Kalache, K.; Bendib, A.; El Hadj, K. Mohammed

    2010-11-15

    Linear fluid equations for relativistic and collisionless plasmas are derived. Closure relations for the fluid equations are analytically computed from the relativistic Vlasov equation in the Fourier space ({omega},k), where {omega} and k are the conjugate variables of time t and space x variables, respectively. The mathematical method used is based on the projection operator techniques and the continued fraction mathematical tools. The generalized heat flux and stress tensor are calculated for arbitrary parameter {omega}/kc where c is the speed of light, and for arbitrary relativistic parameter z=mc{sup 2}/T, where m is the particle rest mass and T, the plasma temperature in energy units.

  15. Boltzmann equations for neutrinos with flavor mixings

    NASA Astrophysics Data System (ADS)

    Yamada, Shoichi

    2000-11-01

    With a view of applications to the simulations of supernova explosions and protoneutron star cooling, we derive the Boltzmann equations for the neutrino transport with flavor mixing based on the real time formalism of the nonequilibrium field theory and the gradient expansion of the Green function. The relativistic kinematics is properly taken into account. The advection terms are derived in the mean field approximation for the neutrino self-energy while the collision terms are obtained in the Born approximation. The resulting equations take the familiar form of the Boltzmann equation with corrections due to mixing both in the advection part and in the collision part. These corrections are essentially the same as those derived by Sirera et al. for the advection terms and those by Raffelt et al. for the collision terms, respectively, though the formalism employed here is different from theirs. The derived equations will be easily implemented in numerical codes employed in the simulations of supernova explosions and protoneutron star cooling.

  16. Boltzmann equation with double-well potentials

    NASA Astrophysics Data System (ADS)

    Chiacchiera, Silvia; Macrı, Tommaso; Trombettoni, Andrea

    2016-10-01

    We study the dynamics of an interacting classical gas trapped in a double-well potential at finite temperature. Two model potentials are considered: a cubic box with a square barrier in the middle, and a harmonic trap with a Gaussian barrier along one direction. The study is performed using the Boltzmann equation, solved numerically via the test-particle method. We introduce and discuss a simple analytical model that allows one to provide estimates of the relaxation time, which are compared with numerical results. Finally, we use our findings to make numerical and analytical predictions for the case of a fermionic mixture in the normal-fluid phase in a realistic double-well potential relevant for experiments with cold atoms.

  17. Conservative form of Boltzmann's equation in general relativity

    NASA Astrophysics Data System (ADS)

    Shibata, Masaru; Nagakura, Hiroki; Sekiguchi, Yuichiro; Yamada, Shoichi

    2014-04-01

    We derive a conservative form of Boltzmann's equation in general relativity, which is concisely written. Several explicit forms of this equation are written for black-hole spacetime with several coordinate conditions in real spacetime and momentum-space coordinates.

  18. Efficient Asymptotic Preserving Deterministic methods for the Boltzmann Equation

    DTIC Science & Technology

    2011-04-01

    release, distribution unlimited 13. SUPPLEMENTARY NOTES See also ADA579248. Models and Computational Methods for Rarefied Flows (Modeles et methodes de...nonlinear collisional kinetic equation. The most well-known example is represented by the Boltzmann equation of rarefied gas dynamics (Cercignani, 1988...et al. (2010). Although the scope of our insights is wider, here we will focus mainly on the classical Boltzmann equation of rarefied gas dynamics

  19. Lattice Boltzmann equation method for the Cahn-Hilliard equation

    NASA Astrophysics Data System (ADS)

    Zheng, Lin; Zheng, Song; Zhai, Qinglan

    2015-01-01

    In this paper a lattice Boltzmann equation (LBE) method is designed that is different from the previous LBE for the Cahn-Hilliard equation (CHE). The starting point of the present CHE LBE model is from the kinetic theory and the work of Lee and Liu [T. Lee and L. Liu, J. Comput. Phys. 229, 8045 (2010), 10.1016/j.jcp.2010.07.007]; however, because the CHE does not conserve the mass locally, a modified equilibrium density distribution function is introduced to treat the diffusion term in the CHE. Numerical simulations including layered Poiseuille flow, static droplet, and Rayleigh-Taylor instability have been conducted to validate the model. The results show that the predictions of the present LBE agree well with the analytical solution and other numerical results.

  20. Quantum linear Boltzmann equation with finite intercollision time

    SciTech Connect

    Diosi, Lajos

    2009-12-15

    Inconsistencies are pointed out in the usual quantum versions of the classical linear Boltzmann equation constructed for a quantized test particle in a gas. These are related to the incorrect formal treatment of momentum decoherence. We prove that ideal collisions with the molecules would result in complete momentum decoherence, the persistence of coherence is only due to the finite intercollision time. A corresponding quantum linear Boltzmann equation is proposed.

  1. CMB spectral distortions as solutions to the Boltzmann equations

    NASA Astrophysics Data System (ADS)

    Ota, Atsuhisa

    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.

  2. Equations of state in a lattice Boltzmann model

    NASA Astrophysics Data System (ADS)

    Yuan, Peng; Schaefer, Laura

    2006-04-01

    In this paper we consider the incorporation of various equations of state into the single-component multiphase lattice Boltzmann model. Several cubic equations of state, including the van der Waals, Redlich-Kwong, and Peng-Robinson, as well as a noncubic equation of state (Carnahan-Starling), are incorporated into the lattice Boltzmann model. The details of phase separation in these nonideal single-component systems are presented by comparing the numerical simulation results in terms of density ratios, spurious currents, and temperature ranges. A comparison with a real fluid system, i.e., the properties of saturated water and steam, is also presented.

  3. Properties of the Boltzmann equation in the classical approximation

    DOE PAGES

    Epelbaum, Thomas; Gelis, François; Tanji, Naoto; ...

    2014-12-30

    We examine the Boltzmann equation with elastic point-like scalar interactions in two different versions of the the classical approximation. Although solving numerically the Boltzmann equation with the unapproximated collision term poses no problem, this allows one to study the effect of the ultraviolet cutoff in these approximations. This cutoff dependence in the classical approximations of the Boltzmann equation is closely related to the non-renormalizability of the classical statistical approximation of the underlying quantum field theory. The kinetic theory setup that we consider here allows one to study in a much simpler way the dependence on the ultraviolet cutoff, since onemore » has also access to the non-approximated result for comparison.« less

  4. Properties of the Boltzmann equation in the classical approximation

    SciTech Connect

    Epelbaum, Thomas; Gelis, François; Tanji, Naoto; Wu, Bin

    2014-12-30

    We examine the Boltzmann equation with elastic point-like scalar interactions in two different versions of the the classical approximation. Although solving numerically the Boltzmann equation with the unapproximated collision term poses no problem, this allows one to study the effect of the ultraviolet cutoff in these approximations. This cutoff dependence in the classical approximations of the Boltzmann equation is closely related to the non-renormalizability of the classical statistical approximation of the underlying quantum field theory. The kinetic theory setup that we consider here allows one to study in a much simpler way the dependence on the ultraviolet cutoff, since one has also access to the non-approximated result for comparison.

  5. Physical scales in the Wigner–Boltzmann equation

    PubMed Central

    Nedjalkov, M.; Selberherr, S.; Ferry, D.K.; Vasileska, D.; Dollfus, P.; Querlioz, D.; Dimov, I.; Schwaha, P.

    2013-01-01

    The Wigner–Boltzmann equation provides the Wigner single particle theory with interactions with bosonic degrees of freedom associated with harmonic oscillators, such as phonons in solids. Quantum evolution is an interplay of two transport modes, corresponding to the common coherent particle-potential processes, or to the decoherence causing scattering due to the oscillators. Which evolution mode will dominate depends on the scales of the involved physical quantities. A dimensionless formulation of the Wigner–Boltzmann equation is obtained, where these scales appear as dimensionless strength parameters. A notion called scaling theorem is derived, linking the strength parameters to the coupling with the oscillators. It is shown that an increase of this coupling is equivalent to a reduction of both the strength of the electric potential, and the coherence length. Secondly, the existence of classes of physically different, but mathematically equivalent setups of the Wigner–Boltzmann evolution is demonstrated. PMID:23504194

  6. Modeling adsorption with lattice Boltzmann equation

    PubMed Central

    Guo, Long; Xiao, Lizhi; Shan, Xiaowen; Zhang, Xiaoling

    2016-01-01

    The research of adsorption theory has recently gained renewed attention due to its critical relevance to a number of trending industrial applications, hydrogen storage and shale gas exploration for instance. The existing theoretical foundation, laid mostly in the early twentieth century, was largely based on simple heuristic molecular interaction models and static interaction potential which, although being insightful in illuminating the fundamental mechanisms, are insufficient for computations with realistic adsorbent structure and adsorbate hydrodynamics, both critical for real-life applications. Here we present and validate a novel lattice Boltzmann model incorporating both adsorbate-adsorbate and adsorbate-adsorbent interactions with hydrodynamics which, for the first time, allows adsorption to be computed with real-life details. Connection with the classic Ono-Kondo lattice theory is established and various adsorption isotherms, both within and beyond the IUPAC classification are observed as a pseudo-potential is varied. This new approach not only enables an important physical to be simulated for real-life applications, but also provides an enabling theoretical framework within which the fundamentals of adsorption can be studied. PMID:27256325

  7. Modeling adsorption with lattice Boltzmann equation.

    PubMed

    Guo, Long; Xiao, Lizhi; Shan, Xiaowen; Zhang, Xiaoling

    2016-06-03

    The research of adsorption theory has recently gained renewed attention due to its critical relevance to a number of trending industrial applications, hydrogen storage and shale gas exploration for instance. The existing theoretical foundation, laid mostly in the early twentieth century, was largely based on simple heuristic molecular interaction models and static interaction potential which, although being insightful in illuminating the fundamental mechanisms, are insufficient for computations with realistic adsorbent structure and adsorbate hydrodynamics, both critical for real-life applications. Here we present and validate a novel lattice Boltzmann model incorporating both adsorbate-adsorbate and adsorbate-adsorbent interactions with hydrodynamics which, for the first time, allows adsorption to be computed with real-life details. Connection with the classic Ono-Kondo lattice theory is established and various adsorption isotherms, both within and beyond the IUPAC classification are observed as a pseudo-potential is varied. This new approach not only enables an important physical to be simulated for real-life applications, but also provides an enabling theoretical framework within which the fundamentals of adsorption can be studied.

  8. Lattice Boltzmann model for the complex Ginzburg-Landau equation.

    PubMed

    Zhang, Jianying; Yan, Guangwu

    2010-06-01

    A lattice Boltzmann model with complex distribution function for the complex Ginzburg-Landau equation (CGLE) is proposed. By using multiscale technique and the Chapman-Enskog expansion on complex variables, we obtain a series of complex partial differential equations. Then, complex equilibrium distribution function and its complex moments are obtained. Based on this model, the rotation and oscillation properties of stable spiral waves and the breaking-up behavior of unstable spiral waves in CGLE are investigated in detail.

  9. Shock-wave structure using nonlinear model Boltzmann equations.

    NASA Technical Reports Server (NTRS)

    Segal, B. M.; Ferziger, J. H.

    1972-01-01

    The structure of strong plane shock waves in a perfect monatomic gas was studied using four nonlinear models of the Boltzmann equation. The models involved the use of a simplified collision operator with velocity-independent collision frequency, in place of the complicated Boltzmann collision operator. The models employed were the BGK and ellipsoidal models developed by earlier authors, and the polynomial and trimodal gain function models developed during the work. An exact set of moment equations was derived for the density, velocity, temperature, viscous stress, and heat flux within the shock. This set was reduced to a pair of coupled nonlinear integral equations and solved using specially adapted numerical techniques. A new and simple Gauss-Seidel iteration was developed during the work and found to be as efficient as the best earlier iteration methods.

  10. On removal of charge singularity in Poisson-Boltzmann equation.

    PubMed

    Cai, Qin; Wang, Jun; Zhao, Hong-Kai; Luo, Ray

    2009-04-14

    The Poisson-Boltzmann theory has become widely accepted in modeling electrostatic solvation interactions in biomolecular calculations. However the standard practice of atomic point charges in molecular mechanics force fields introduces singularity into the Poisson-Boltzmann equation. The finite-difference/finite-volume discretization approach to the Poisson-Boltzmann equation alleviates the numerical difficulty associated with the charge singularity but introduces discretization error into the electrostatic potential. Decomposition of the electrostatic potential has been explored to remove the charge singularity explicitly to achieve higher numerical accuracy in the solution of the electrostatic potential. In this study, we propose an efficient method to overcome the charge singularity problem. In our framework, two separate equations for two different potentials in two different regions are solved simultaneously, i.e., the reaction field potential in the solute region and the total potential in the solvent region. The proposed method can be readily implemented with typical finite-difference Poisson-Boltzmann solvers and return the singularity-free reaction field potential with a single run. Test runs on 42 small molecules and 4 large proteins show a very high agreement between the reaction field energies computed by the proposed method and those by the classical finite-difference Poisson-Boltzmann method. It is also interesting to note that the proposed method converges faster than the classical method, though additional time is needed to compute Coulombic potential on the dielectric boundary. The higher precision, accuracy, and efficiency of the proposed method will allow for more robust electrostatic calculations in molecular mechanics simulations of complex biomolecular systems.

  11. Distributional Monte Carlo Methods for the Boltzmann Equation

    DTIC Science & Technology

    2013-03-01

    Examples of such violations arise in rarefied gas dynamics, hypersonic flows , and micro-scale flows . Additionally, there is an “equilibrium hypothesis...are rarefied flows and flows containing non-equilibrium phenomena. Applications of rarefied gas dynamics typically involve high-altitude flight and...1 1.1 Kinetic Theory and Rarefied Gas Dynamics . . . . . . . . . . . . . . . . . 3 1.2 Computational Methods for the Boltzmann equation

  12. Distributional monte carlo methods for the boltzmann equation

    NASA Astrophysics Data System (ADS)

    Schrock, Christopher R.

    Stochastic particle methods (SPMs) for the Boltzmann equation, such as the Direct Simulation Monte Carlo (DSMC) technique, have gained popularity for the prediction of flows in which the assumptions behind the continuum equations of fluid mechanics break down; however, there are still a number of issues that make SPMs computationally challenging for practical use. In traditional SPMs, simulated particles may possess only a single velocity vector, even though they may represent an extremely large collection of actual particles. This limits the method to converge only in law to the Boltzmann solution. This document details the development of new SPMs that allow the velocity of each simulated particle to be distributed. This approach has been termed Distributional Monte Carlo (DMC). A technique is described which applies kernel density estimation to Nanbu's DSMC algorithm. It is then proven that the method converges not just in law, but also in solution for Linfinity(R 3) solutions of the space homogeneous Boltzmann equation. This provides for direct evaluation of the velocity density function. The derivation of a general Distributional Monte Carlo method is given which treats collision interactions between simulated particles as a relaxation problem. The framework is proven to converge in law to the solution of the space homogeneous Boltzmann equation, as well as in solution for Linfinity(R3) solutions. An approach based on the BGK simplification is presented which computes collision outcomes deterministically. Each technique is applied to the well-studied Bobylev-Krook-Wu solution as a numerical test case. Accuracy and variance of the solutions are examined as functions of various simulation parameters. Significantly improved accuracy and reduced variance are observed in the normalized moments for the Distributional Monte Carlo technique employing discrete BGK collision modeling.

  13. Hypersonic Shock Wave Computations Using the Generalized Boltzmann Equation

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

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

    2016-04-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

  16. A lattice Boltzmann model for the Burgers-Fisher equation.

    PubMed

    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.

  17. TAP equation for non-negative Boltzmann machine

    NASA Astrophysics Data System (ADS)

    Yasuda, Muneki; Tanaka, Kazuyuki

    2012-01-01

    Mean-field methods for spin systems are frequently used in not only statistical physics but also information sciences. We focus on the Plefka expansion method for spin systems with two-body interactions. The Plefka expansion is a useful perturbative expansion of the Gibbs free energy, and it can systematically provide the naive mean-field approximation, the Thouless-Anderson-Palmer (TAP) equation and higher-order approximations. In the first part of this paper, using the linear response relation, we derive a recurrence formula for perturbative coefficients in the Plefka expansion. Our recurrence formula enables us to systematically derive general order coefficients. In the latter part of the paper, we apply our recurrence formula to the non-negative Boltzmann machine in which all spin variables are constrained to have non-negative real values, and we obtain the TAP equation for this model. We verify the performance of our TAP equation by conducting some numerical experiments.

  18. Generalizing the Boltzmann equation in complex phase space.

    PubMed

    Zadehgol, Abed

    2016-08-01

    In this work, a generalized form of the BGK-Boltzmann equation is proposed, where the velocity, position, and time can be represented by real or complex variables. The real representation leads to the conventional BGK-Boltzmann equation, which can recover the continuity and Navier-Stokes equations. We show that the complex representation yields a different set of equations, and it can also recover the conservation and Navier-Stokes equations, at low Mach numbers, provided that the imaginary component of the macroscopic mass can be neglected. We briefly review the Constant Speed Kinetic Model (CSKM), which was introduced in Zadehgol and Ashrafizaadeh [J. Comp. Phys. 274, 803 (2014)JCTPAH0021-999110.1016/j.jcp.2014.06.053] and Zadehgol [Phys. Rev. E 91, 063311 (2015)PLEEE81539-375510.1103/PhysRevE.91.063311]. The CSKM is then used as a basis to show that the complex-valued equilibrium distribution function of the present model can be identified with a simple singularity in the complex phase space. The virtual particles, in the present work, are concentrated on virtual "branes" which surround the computational nodes. Employing the Cauchy integral formula, it is shown that certain variations of the "branes," in the complex phase space, do not affect the local kinetic states. This property of the new model, which is referred to as the "apparent jumps" in the present work, is used to construct new models. The theoretical findings have been tested by simulating three benchmark flows. The results of the present simulations are in excellent agreement with the previous results reported by others.

  19. Generalizing the Boltzmann equation in complex phase space

    NASA Astrophysics Data System (ADS)

    Zadehgol, Abed

    2016-08-01

    In this work, a generalized form of the BGK-Boltzmann equation is proposed, where the velocity, position, and time can be represented by real or complex variables. The real representation leads to the conventional BGK-Boltzmann equation, which can recover the continuity and Navier-Stokes equations. We show that the complex representation yields a different set of equations, and it can also recover the conservation and Navier-Stokes equations, at low Mach numbers, provided that the imaginary component of the macroscopic mass can be neglected. We briefly review the Constant Speed Kinetic Model (CSKM), which was introduced in Zadehgol and Ashrafizaadeh [J. Comp. Phys. 274, 803 (2014), 10.1016/j.jcp.2014.06.053] and Zadehgol [Phys. Rev. E 91, 063311 (2015), 10.1103/PhysRevE.91.063311]. The CSKM is then used as a basis to show that the complex-valued equilibrium distribution function of the present model can be identified with a simple singularity in the complex phase space. The virtual particles, in the present work, are concentrated on virtual "branes" which surround the computational nodes. Employing the Cauchy integral formula, it is shown that certain variations of the "branes," in the complex phase space, do not affect the local kinetic states. This property of the new model, which is referred to as the "apparent jumps" in the present work, is used to construct new models. The theoretical findings have been tested by simulating three benchmark flows. The results of the present simulations are in excellent agreement with the previous results reported by others.

  20. Boltzmann equation solver adapted to emergent chemical non-equilibrium

    SciTech Connect

    Birrell, Jeremiah; Wilkening, Jon; Rafelski, Johann

    2015-01-15

    We present a novel method to solve the spatially homogeneous and isotropic relativistic Boltzmann equation. We employ a basis set of orthogonal polynomials dynamically adapted to allow for emergence of chemical non-equilibrium. Two time dependent parameters characterize the set of orthogonal polynomials, the effective temperature T(t) and phase space occupation factor ϒ(t). In this first paper we address (effectively) massless fermions and derive dynamical equations for T(t) and ϒ(t) such that the zeroth order term of the basis alone captures the particle number density and energy density of each particle distribution. We validate our method and illustrate the reduced computational cost and the ability to easily represent final state chemical non-equilibrium by studying a model problem that is motivated by the physics of the neutrino freeze-out processes in the early Universe, where the essential physical characteristics include reheating from another disappearing particle component (e{sup ±}-annihilation)

  1. Boundary conditions for the Boltzmann equation for rough walls

    NASA Astrophysics Data System (ADS)

    Brull, Stéphane; Charrier, Pierre

    2014-12-01

    In some applications, rarefied gases have to considered in a domain whose boundary presents some nanoscale roughness. That is why, we have considered (Brull,2014) a new derivation of boundary conditions for the Boltzmann equation, where the wall present some nanoscale roughness. In this paper, the interaction between the gas and the wall is represented by a kinetic equation defined in a surface layer at the scale of the nanometer close to the wall. The boundary conditions are obtained from a formal asymptotic expansion and are describded by a scattering kernel satisfying classical properties (non-negativeness, normalization, reciprocity). Finally, we present some numerical simulations of scattering diagrams showing the importance of the consideration of roughness for small scales in the model.

  2. Lattice Boltzmann equation method for multiple immiscible continuum fluids.

    PubMed

    Spencer, T J; Halliday, I; Care, C M

    2010-12-01

    This paper generalizes the two-component algorithm of Sec. , extending it, in Sec. , to describe N>2 mutually immiscible fluids in the isothermal continuum regime. Each fluid has an independent interfacial tension. While retaining all its computational advantages, we remove entirely the empiricism associated with contact behavior in our previous multiple immiscible fluid models [M. M. Dupin, Phys. Rev. E 73, 055701(R) (2006); Med. Eng. Phys. 28, 13 (2006)] while solidifying the physical foundations. Moreover, the model relies upon a fluid-fluid segregation which is simpler, computationally faster, more free of artifacts (i.e., the interfacial microcurrent), and upon an interface-inducing force distribution which is analytic. The method is completely symmetric between any numbers of immiscible fluids and stable over a wide range of directly input interfacial tension. We present data on the steady-state properties of multiple interface model, which are in good agreement with theory [R. E. Johnson and S. S. Sadhal, Annu. Rev. Fluid Mech. 17, 289 (1985)], specifically on the shapes of multidrop systems. Section is an analysis of the kinetic and continuum-scale descriptions of the underlying two-component lattice Boltzmann model for immiscible fluids, extendable to more than two immiscible fluids. This extension requires (i) the use of a more local kinetic equation perturbation which is (ii) free from a reliance on measured interfacial curvature. It should be noted that viewed simply as a two-component method, the continuum algorithm is inferior to our previous methods, reported by Lishchuk [Phys. Rev. E 67, 036701 (2003)] and Halliday [Phys. Rev. E 76, 026708 (2007)]. Greater stability and parameter range is achieved in multiple drop simulations by using the forced multi-relaxation-time lattice Boltzmann method developed, along with (for completeness) a forced exactly incompressible Bhatnagar-Gross-Krook lattice Boltzmann model, in the Appendix. These appended schemes

  3. Kadomtsev−Petviashvili equation for a flow of highly nonisothermal collisionless plasma

    SciTech Connect

    Movsesyants, Yu. B.; Rukhadze, A. A.; Tyuryukanov, P. M.

    2016-01-15

    It is shown that the equations of two-fluid electrodynamics for a cold ions flow and Boltzmann electrons in the vicinity of the ion-sound point can be reduced to the Kadomtsev−Petviashvili equation. Examples of two-dimensional equilibria with pole singularities obtained by exactly solving the equations are presented. An exact self-similar solution describing a two-dimensional transonic flow and having no pole singularities is found.

  4. Solutions of Boltzmann Equation for Simulation of Particle Distributions in Plasmas

    NASA Astrophysics Data System (ADS)

    Hammond, Jason

    2014-10-01

    We are investigating the time evolution of the electron and excited state distribution functions. To accomplish this, we solve the time dependent Boltzmann equation to overcome some typical limitations of modeling high pressure plasmas using Monte Carlo methods. Here we focus on the numerical approach to solving the time dependent Boltzmann equation using a multi-term approximation of the electron distribution function. We also compare Boltzmann results for electron distribution evolution against multiple plasma simulations using experimental collisional cross-section data.

  5. Acoustic equations of state for simple lattice Boltzmann velocity sets.

    PubMed

    Viggen, Erlend Magnus

    2014-07-01

    The lattice Boltzmann (LB) method typically uses an isothermal equation of state. This is not sufficient to simulate a number of acoustic phenomena where the equation of state cannot be approximated as linear and constant. However, it is possible to implement variable equations of state by altering the LB equilibrium distribution. For simple velocity sets with velocity components ξ(iα)∈(-1,0,1) for all i, these equilibria necessarily cause error terms in the momentum equation. These error terms are shown to be either correctable or negligible at the cost of further weakening the compressibility. For the D1Q3 velocity set, such an equilibrium distribution is found and shown to be unique. Its sound propagation properties are found for both forced and free waves, with some generality beyond D1Q3. Finally, this equilibrium distribution is applied to a nonlinear acoustics simulation where both mechanisms of nonlinearity are simulated with good results. This represents an improvement on previous such simulations and proves that the compressibility of the method is still sufficiently strong even for nonlinear acoustics.

  6. Lattice Boltzmann Equation On a 2D Rectangular Grid

    NASA Technical Reports Server (NTRS)

    Bouzidi, MHamed; DHumieres, Dominique; Lallemand, Pierre; Luo, Li-Shi; Bushnell, Dennis M. (Technical Monitor)

    2002-01-01

    We construct a multi-relaxation lattice Boltzmann model on a two-dimensional rectangular grid. The model is partly inspired by a previous work of Koelman to construct a lattice BGK model on a two-dimensional rectangular grid. The linearized dispersion equation is analyzed to obtain the constraints on the isotropy of the transport coefficients and Galilean invariance for various wave propagations in the model. The linear stability of the model is also studied. The model is numerically tested for three cases: (a) a vortex moving with a constant velocity on a mesh periodic boundary conditions; (b) Poiseuille flow with an arbitrasy inclined angle with respect to the lattice orientation: and (c) a cylinder &symmetrically placed in a channel. The numerical results of these tests are compared with either analytic solutions or the results obtained by other methods. Satisfactory results are obtained for the numerical simulations.

  7. Heat conduction in multifunctional nanotrusses studied using Boltzmann transport equation

    NASA Astrophysics Data System (ADS)

    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.

  8. A stochastic Galerkin method for the Boltzmann equation with uncertainty

    SciTech Connect

    Hu, Jingwei; Jin, Shi

    2016-06-15

    We develop a stochastic Galerkin method for the Boltzmann equation with uncertainty. The method is based on the generalized polynomial chaos (gPC) approximation in the stochastic Galerkin framework, and can handle random inputs from collision kernel, initial data or boundary data. We show that a simple singular value decomposition of gPC related coefficients combined with the fast Fourier-spectral method (in velocity space) allows one to compute the high-dimensional collision operator very efficiently. In the spatially homogeneous case, we first prove that the analytical solution preserves the regularity of the initial data in the random space, and then use it to establish the spectral accuracy of the proposed stochastic Galerkin method. Several numerical examples are presented to illustrate the validity of the proposed scheme.

  9. Conservation laws and exact solutions of the Boltzmann equation

    SciTech Connect

    Mattis, D.C.; Szpilka, A.M.; Chen, H.

    1989-03-10

    The distribution function f which satisfies the time-dependent Boltzmann equation (BE) for a Lorentz model with perfectly elastic random scatterers is proved nonnegative, and is computed exactly when backscattering dominates. Joule heating and Ohm's law are recovered, although f has no steady-state limit, contrary to the relaxation-time approximation. (The conventional approximation to the time-independent BE also yields OHm's law but not the Joule heating and, worse, it unphysically predicts f < O.) The exact solution is compared with various effective-temperature approximations, and is shown to remain very nearly unchanged over a wide range of times even in the presence of a small amount of inelastic scattering.

  10. Heat conduction in multifunctional nanotrusses studied using Boltzmann transport equation

    SciTech Connect

    Dou, Nicholas G.; Minnich, Austin J.

    2016-01-04

    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.

  11. Lattice Boltzmann equation method for multiple immiscible continuum fluids

    NASA Astrophysics Data System (ADS)

    Spencer, T. J.; Halliday, I.; Care, C. M.

    2010-12-01

    This paper generalizes the two-component algorithm of Sec. , extending it, in Sec. , to describe N>2 mutually immiscible fluids in the isothermal continuum regime. Each fluid has an independent interfacial tension. While retaining all its computational advantages, we remove entirely the empiricism associated with contact behavior in our previous multiple immiscible fluid models [M. M. Dupin , Phys. Rev. E 73, 055701(R) (2006)10.1103/PhysRevE.73.055701; Med. Eng. Phys. 28, 13 (2006)10.1016/j.medengphy.2005.04.015] while solidifying the physical foundations. Moreover, the model relies upon a fluid-fluid segregation which is simpler, computationally faster, more free of artifacts (i.e., the interfacial microcurrent), and upon an interface-inducing force distribution which is analytic. The method is completely symmetric between any numbers of immiscible fluids and stable over a wide range of directly input interfacial tension. We present data on the steady-state properties of multiple interface model, which are in good agreement with theory [R. E. Johnson and S. S. Sadhal, Annu. Rev. Fluid Mech. 17, 289 (1985)10.1146/annurev.fl.17.010185.001445], specifically on the shapes of multidrop systems. Section is an analysis of the kinetic and continuum-scale descriptions of the underlying two-component lattice Boltzmann model for immiscible fluids, extendable to more than two immiscible fluids. This extension requires (i) the use of a more local kinetic equation perturbation which is (ii) free from a reliance on measured interfacial curvature. It should be noted that viewed simply as a two-component method, the continuum algorithm is inferior to our previous methods, reported by Lishchuk [Phys. Rev. E 67, 036701 (2003)]10.1103/PhysRevE.76.036701 and Halliday [Phys. Rev. E 76, 026708 (2007)]10.1103/PhysRevE.76.026708. Greater stability and parameter range is achieved in multiple drop simulations by using the forced multi-relaxation-time lattice Boltzmann method developed

  12. Analytical solutions of the Poisson-Boltzmann equation: biological applications

    NASA Astrophysics Data System (ADS)

    Fenley, Andrew; Gordon, John; Onufriev, Alexey

    2006-03-01

    Electrostatic interactions are a key factor for determining many properties of bio-molecules. The ability to compute the electrostatic potential generated by a molecule is often essential in understanding the mechanism behind its biological function such as catalytic activity, ligand binding, and macromolecular association. We propose an approximate analytical solution to the (linearized) Poisson-Boltzmann (PB) equation that is suitable for computing electrostatic potential around realistic biomolecules. The approximation is tested against the numerical solutions of the PB equation on a test set of 600 representative structures including proteins, DNA, and macromolecular complexes. The approach allows one to generate, with the power of a desktop PC, electrostatic potential maps of virtually any molecule of interest, from single proteins to large protein complexes such as viral capsids. The new approach is orders of magnitude less computationally intense than its numerical counterpart, yet is almost equal in accuracy. When studying very large molecular systems, our method is a practical and inexpensive way of computing bio- molecular potential at atomic resolution. We demonstrate the usefullnes of the new approach by exploring the details of electrostatic potentials generated by two of such systems: the nucleosome core particle (25,000 atoms) and tobacco ring spot virus (500,000 atoms). Biologically relevant insights are generated.

  13. The role of electron equation of state in heating partition of protons in a collisionless plasma

    SciTech Connect

    Parashar, Tulasi N.; Vasquez, Bernard J.; Markovskii, Sergei A.

    2014-02-15

    One of the outstanding questions related to the solar wind is the heating of solar wind plasma. Addressing this question requires a self consistent treatment of the kinetic physics of a collisionless plasma. A hybrid code (with particle ions and fluid electrons) is one of the most convenient computational tools, which allows us to explore self consistent ion kinetics, while saving us computational time as compared to the full particle in cell codes. A common assumption used in hybrid codes is that of isothermal electrons. In this paper, we discuss the role that the equation of state for electrons could potentially play in determining the ion kinetics.

  14. L 1 and BV-type stability of the inelastic Boltzmann equation near vacuum

    NASA Astrophysics Data System (ADS)

    Wu, Zhigang

    2010-03-01

    The L 1 and BV-type stability to mild solutions of the inelastic Boltzmann equation is given in this paper. The result is an extension of the stability of the classical solution of the elastic Boltzmann equation proved in Ha (Arch. Ration. Mech. Anal. 173:25-42, 2004 [16]). The observation relies on the energy loss of the inelastic Boltzmann equation. This is a continuity work of Alonso (Indiana Univ. Math. J. [1]), where the author obtained the global existence of a mild solution for the inelastic Boltzmann equation. The proof is based on the mollification method and constructing some functionals as the one in Chae and Ha (Contin. Mech. Thermodyn. 17(7):511-524, 2006 [9]).

  15. Global Well-Posedness in Spatially Critical Besov Space for the Boltzmann Equation

    NASA Astrophysics Data System (ADS)

    Duan, Renjun; Liu, Shuangqian; Xu, Jiang

    2016-05-01

    The unique global strong solution in the Chemin-Lerner type space to the Cauchy problem on the Boltzmann equation for hard potentials is constructed in a perturbation framework. Such a solution space is of critical regularity with respect to the spatial variable, and it can capture the intrinsic properties of the Boltzmann equation. For the proof of global well-posedness, we develop some new estimates on the nonlinear collision term through the Littlewood-Paley theory.

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

    SciTech Connect

    Gamba, Irene M.; Haack, Jeffrey R.

    2014-08-01

    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.

  17. Numerical method based on the lattice Boltzmann model for the Fisher equation.

    PubMed

    Yan, Guangwu; Zhang, Jianying; Dong, Yinfeng

    2008-06-01

    In this paper, a lattice Boltzmann model for the Fisher equation is proposed. First, the Chapman-Enskog expansion and the multiscale time expansion are used to describe higher-order moment of equilibrium distribution functions and a series of partial differential equations in different time scales. Second, the modified partial differential equation of the Fisher equation with the higher-order truncation error is obtained. Third, comparison between numerical results of the lattice Boltzmann models and exact solution is given. The numerical results agree well with the classical ones.

  18. Solitons of the Kadomtsev-Petviashvili equation based on lattice Boltzmann model

    NASA Astrophysics Data System (ADS)

    Wang, Huimin

    2017-01-01

    In this paper, a lattice Boltzmann model for the Kadomtsev-Petviashvili equation is proposed. By using the Chapman-Enskog expansion and the multi-scale time expansion, a series of partial differential equations in different time scales are obtained. Due to the asymmetry in x direction and y direction of the equation, the moments of the equilibrium distribution function are selected are asymmetric. The numerical results demonstrate the lattice Boltzmann method is an effective method to simulate the solitons of the Kadomtsev-Petviashvili equation.

  19. Symmetries and invariant solutions of the one-dimensional Boltzmann equation for inelastic collisions

    NASA Astrophysics Data System (ADS)

    Ilyin, O. V.

    2016-02-01

    We consider the one-dimensional integro-differential Boltzmann equation for Maxwell particles with inelastic collisions. We show that the equation has a five-dimensional algebra of point symmetries for all dissipation parameter values and obtain an optimal system of one-dimensional subalgebras and classes of invariant solutions.

  20. A New Regularization Mechanism for the Boltzmann Equation Without Cut-Off

    NASA Astrophysics Data System (ADS)

    Silvestre, Luis

    2016-11-01

    We apply recent results on regularity for general integro-differential equations to derive a priori estimates in Hölder spaces for the space homogeneous Boltzmann equation in the non cut-off case. We also show an a priori estimate in {L^∞} which applies in the space inhomogeneous case as well, provided that the macroscopic quantities remain bounded.

  1. The Initial Boundary Value Problem for the Boltzmann Equation with Soft Potential

    NASA Astrophysics Data System (ADS)

    Liu, Shuangqian; Yang, Xiongfeng

    2017-01-01

    Boundary effects are central to the dynamics of the dilute particles governed by the Boltzmann equation. In this paper, we study both the diffuse reflection and the specular reflection boundary value problems for the Boltzmann equation with a soft potential, in which the collision kernel is ruled by the inverse power law. For the diffuse reflection boundary condition, based on an L 2 argument and its interplay with intricate {L^∞} analysis for the linearized Boltzmann equation, we first establish the global existence and then obtain the exponential decay in {L^∞} space for the nonlinear Boltzmann equation in general classes of bounded domain. It turns out that the zero lower bound of the collision frequency and the singularity of the collision kernel lead to some new difficulties for achieving the a priori {L^∞} estimates and time decay rates of the solution. In the course of the proof, we capture some new properties of the probability integrals along the stochastic cycles and improve the {L^2-L^∞} theory to give a more direct approach to overcome those difficulties. As to the specular reflection condition, our key contribution is to develop a new time-velocity weighted {L^∞} theory so that we could deal with the greater difficulties stemming from the complicated velocity relations among the specular cycles and the zero lower bound of the collision frequency. From this new point, we are also able to prove that the solutions of the linearized Boltzmann equation tend to equilibrium exponentially in {L^∞} space with the aid of the L 2 theory and a bootstrap argument. These methods, in the latter case, can be applied to the Boltzmann equation with soft potential for all other types of boundary condition.

  2. Entropic Lattice Boltzmann Model for Burger’s Equation

    DTIC Science & Technology

    2004-05-28

    invariant multi- speed entropic lattice Boltzmann models. Physica D. (In the press.) (doi:10.1016/j.physd. 2004.01.018.) Chen, H., Kandasamy , S ., Orszag, S ...61102F 6. AUTHOR( S ) 5d. PROJECT NUMBER B. M. Boghosian*, P. Love*, and J. Yepez 230𔃾 So. TASK NUMBER 0T f. WORK UNIT NUMBER Bi 7. PERFORMING...ORGANIZATION NAME( S ) AND ADDRESS(ES) 8. PERFORMING ORGANIZATION REPORT Air Force Research Laboratory/VSBYA NUMBER 29 Randolph Road Hanscom AFB MA 01731-3010

  3. Solution of the nonlinear Poisson-Boltzmann equation: Application to ionic diffusion in cementitious materials

    SciTech Connect

    Arnold, J.; Kosson, D.S.; Garrabrants, A.; Meeussen, J.C.L.; Sloot, H.A. van der

    2013-02-15

    A robust numerical solution of the nonlinear Poisson-Boltzmann equation for asymmetric polyelectrolyte solutions in discrete pore geometries is presented. Comparisons to the linearized approximation of the Poisson-Boltzmann equation reveal that the assumptions leading to linearization may not be appropriate for the electrochemical regime in many cementitious materials. Implications of the electric double layer on both partitioning of species and on diffusive release are discussed. The influence of the electric double layer on anion diffusion relative to cation diffusion is examined.

  4. Incorporation of solvation effects into the fragment molecular orbital calculations with the Poisson-Boltzmann equation

    NASA Astrophysics Data System (ADS)

    Watanabe, Hirofumi; Okiyama, Yoshio; Nakano, Tatsuya; Tanaka, Shigenori

    2010-11-01

    We developed FMO-PB method, which incorporates solvation effects into the Fragment Molecular Orbital calculation with the Poisson-Boltzmann equation. This method retains good accuracy in energy calculations with reduced computational time. We calculated the solvation free energies for polyalanines, Alpha-1 peptide, tryptophan cage, and complex of estrogen receptor and 17 β-estradiol to show the applicability of this method for practical systems. From the calculated results, it has been confirmed that the FMO-PB method is useful for large biomolecules in solution. We also discussed the electric charges which are used in solving the Poisson-Boltzmann equation.

  5. An H Theorem for Boltzmann's Equation for the Yard-Sale Model of Asset Exchange

    NASA Astrophysics Data System (ADS)

    Boghosian, Bruce M.; Johnson, Merek; Marcq, Jeremy A.

    2015-12-01

    In recent work (Boghosian, Phys Rev E 89:042804-042825, 2014; Boghosian, Int J Mod Phys 25:1441008-1441015, 2014), Boltzmann and Fokker-Planck equations were derived for the "Yard-Sale Model" of asset exchange. For the version of the model without redistribution, it was conjectured, based on numerical evidence, that the time-asymptotic state of the model was oligarchy—complete concentration of wealth by a single individual. In this work, we prove that conjecture by demonstrating that the Gini coefficient, a measure of inequality commonly used by economists, is an H function of both the Boltzmann and Fokker-Planck equations for the model.

  6. Numerical investigations of low-density nozzle flow by solving the Boltzmann equation

    NASA Technical Reports Server (NTRS)

    Deng, Zheng-Tao; Liaw, Goang-Shin; Chou, Lynn Chen

    1995-01-01

    A two-dimensional finite-difference code to solve the BGK-Boltzmann equation has been developed. The solution procedure consists of three steps: (1) transforming the BGK-Boltzmann equation into two simultaneous partial differential equations by taking moments of the distribution function with respect to the molecular velocity u(sub z), with weighting factors 1 and u(sub z)(sup 2); (2) solving the transformed equations in the physical space based on the time-marching technique and the four-stage Runge-Kutta time integration, for a given discrete-ordinate. The Roe's second-order upwind difference scheme is used to discretize the convective terms and the collision terms are treated as source terms; and (3) using the newly calculated distribution functions at each point in the physical space to calculate the macroscopic flow parameters by the modified Gaussian quadrature formula. Repeating steps 2 and 3, the time-marching procedure stops when the convergent criteria is reached. A low-density nozzle flow field has been calculated by this newly developed code. The BGK Boltzmann solution and experimental data show excellent agreement. It demonstrated that numerical solutions of the BGK-Boltzmann equation are ready to be experimentally validated.

  7. Solutions of Boltzmann`s Equation for Mono-energetic Neutrons in an Infinite Homogeneous Medium

    DOE R&D Accomplishments Database

    Wigner, E. P.

    1943-11-30

    Boltzman's equation is solved for the case of monoenergetic neutrons created by a plane or point source in an infinite medium which has spherically symmetric scattering. The customary solution of the diffusion equation appears to be multiplied by a constant factor which is smaller than 1. In addition to this term the total neutron density contains another term which is important in the neighborhood of the source. It varies as 1/r{sup 2} in the neighborhood of a point source. (auth)

  8. Quantum position diffusion and its implications for the quantum linear Boltzmann equation

    SciTech Connect

    Kamleitner, I.; Cresser, J.

    2010-01-15

    We derive a quantum linear Boltzmann equation from first principles to describe collisional friction, diffusion, and decoherence in a unified framework. In doing so, we discover that the previously celebrated quantum contribution to position diffusion is not a true physical process, but rather an artifact of the use of a coarse-grained time scale necessary to derive Markovian dynamics.

  9. Stochastic two-fluid model for relativistic heavy-ion collisions. [Boltzmann[endash]Langevin Equation

    SciTech Connect

    Ayik, S. Joint Inst. for Heavy Ion Research, Oak Ridge, TN ); Ivanov, Y.B.; Russkikh, V.N.; Noerenberg, W. )

    1993-01-01

    A reduction of the relativistic Boltzmann-Langevin Equation (BLE), to a stochastic two-fluid model is presented, and transport coefficients associated with fluid dynamical variables are extracted. The approach is applied to investigate equilibration in a counter-streaming nuclear system.

  10. The charge conserving Poisson-Boltzmann equations: Existence, uniqueness, and maximum principle

    SciTech Connect

    Lee, Chiun-Chang

    2014-05-15

    The present article is concerned with the charge conserving Poisson-Boltzmann (CCPB) equation in high-dimensional bounded smooth domains. The CCPB equation is a Poisson-Boltzmann type of equation with nonlocal coefficients. First, under the Robin boundary condition, we get the existence of weak solutions to this equation. The main approach is variational, based on minimization of a logarithm-type energy functional. To deal with the regularity of weak solutions, we establish a maximum modulus estimate for the standard Poisson-Boltzmann (PB) equation to show that weak solutions of the CCPB equation are essentially bounded. Then the classical solutions follow from the elliptic regularity theorem. Second, a maximum principle for the CCPB equation is established. In particular, we show that in the case of global electroneutrality, the solution achieves both its maximum and minimum values at the boundary. However, in the case of global non-electroneutrality, the solution may attain its maximum value at an interior point. In addition, under certain conditions on the boundary, we show that the global non-electroneutrality implies pointwise non-electroneutrality.

  11. Recovery of the Navier-Stokes equations using a lattice-gas Boltzmann method

    NASA Technical Reports Server (NTRS)

    Chen, Hudong; Chen, Shiyi; Matthaeus, William H.

    1992-01-01

    A lattice Boltzmann model is presented which gives the complete Navier-Stokes equation and may provide an efficient parallel numerical method for solving various fluid problems. The model uses the single-time relaxation approximation and a particular Maxwell-type distribution. The model eliminates exactly (1) the non-Galilean invariance caused by a density-dependent coefficient in the convection term and (2) a velocity-dependent equation of state.

  12. Electric-field conditions for Landauer and Boltzmann-Drude conductance equations

    NASA Astrophysics Data System (ADS)

    Fenton, E. W.

    1992-08-01

    It is shown explicitly in a unified theory of conductance, for bulk metals and mesoscopic systems, that a Landauer type of conductance equation is compatible with a spatially localized continuous-q-spectrum electric field that is unidirectional, but not with a homogeneous q=0 field. The reverse field condition holds for the Boltzmann-Drude conductance equation for an inhomogeneous bulk metal that has no inelastic scattering. A Feynman-diagram form of Green-function theory shows explicitly the virtual processes and repeated quantum scattering from a single object that occur with Feynman path integrals. The distinction between repeated scattering of current and repeated one-electron scattering is important. For a mesoscopic system, infinite conduction would occur if scattering were to be exactly zero-there is no necessity for postulated contact potentials between lead wires and thermal reservoirs. This is because just in this translationally invariant case a q=0 electric field must occur, and for this the Landauer equation must be replaced by the Boltzmann-Drude equation with zero scattering. In contrast to the strong frequency dependence of the Boltzmann-Drude equation, it is shown that no frequency dependence of the conductance occurs in the Landauer type of equation for frequencies much smaller than the inverse of the electron transit time across the electric-field region.

  13. The Boltzmann Equation for a Multi-species Mixture Close to Global Equilibrium

    NASA Astrophysics Data System (ADS)

    Briant, Marc; Daus, Esther S.

    2016-12-01

    We study the Cauchy theory for a multi-species mixture, where the different species can have different masses, in a perturbative setting on the three dimensional torus. The ultimate aim of this work is to obtain the existence, uniqueness and exponential trend to equilibrium of solutions to the multi-species Boltzmann equation in {L^1_vL^∞_x(m)}, where {m˜ (1+ |v|^k)} is a polynomial weight. We prove the existence of a spectral gap for the linear multi-species Boltzmann operator allowing different masses, and then we establish a semigroup property thanks to a new explicit coercive estimate for the Boltzmann operator. Then we develop an {L^2-L^∞} theory à la Guo for the linear perturbed equation. Finally, we combine the latter results with a decomposition of the multi-species Boltzmann equation in order to deal with the full equation. We emphasize that dealing with different masses induces a loss of symmetry in the Boltzmann operator which prevents the direct adaptation of standard mono-species methods (for example Carleman representation, Povzner inequality). Of important note is the fact that all methods used and developed in this work are constructive. Moreover, they do not require any Sobolev regularity and the {L^1_vL^∞_x} framework is dealt with for any {k > k_0}, recovering the optimal physical threshold of finite energy {k_0=2} in the particular case of a multi-species hard spheres mixture with the same masses.

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

    PubMed

    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.

  15. Fokker-Planck-Boltzmann equation for dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Marsh, C. A.; Backx, G.; Ernst, M. H.

    1997-05-01

    The algorithm for Dissipative Particle Dynamics (DPD), as modified by Español and Warren, is used as a starting point for proving an H-theorem for the free energy and deriving hydrodynamic equations. Equilibrium and transport properties of the DPD fluid are explicitly calculated in terms of the system parameters for the continuous time version of the model.

  16. On the Cauchy Problem for the Homogeneous Boltzmann-Nordheim Equation for Bosons: Local Existence, Uniqueness and Creation of Moments

    NASA Astrophysics Data System (ADS)

    Briant, Marc; Einav, Amit

    2016-06-01

    The Boltzmann-Nordheim equation is a modification of the Boltzmann equation, based on physical considerations, that describes the dynamics of the distribution of particles in a quantum gas composed of bosons or fermions. In this work we investigate the Cauchy theory of the spatially homogeneous Boltzmann-Nordheim equation for bosons, in dimension d≥slant 3. We show existence and uniqueness locally in time for any initial data in L^∞ (1+| v| ^s) with finite mass and energy, for a suitable s, as well as the instantaneous creation of moments of all order.

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

    NASA Astrophysics Data System (ADS)

    Thüroff, Florian; Weber, Christoph A.; Frey, Erwin

    2014-10-01

    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.

  18. Numerical solution of the Boltzmann equation for the collective modes of trapped Fermi gases

    SciTech Connect

    Lepers, Thomas; Davesne, Dany; Chiacchiera, Silvia; Urban, Michael

    2010-08-15

    We numerically solve the Boltzmann equation for trapped fermions in the normal phase by using the test-particle method. After discussing a couple of tests in order to estimate the reliability of the method, we apply it to the description of collective modes in a spherical harmonic trap. The numerical results are compared with those obtained previously by taking moments of the Boltzmann equation. We find that the general shape of the response function is very similar in both methods, but the relaxation time obtained from the simulation is significantly longer than that predicted by the method of moments. It is shown that the result of the method of moments can be corrected by including fourth-order moments in addition to the usual second-order ones and that this method agrees very well with our numerical simulations.

  19. Global classical solutions of the Boltzmann equation with long-range interactions.

    PubMed

    Gressman, Philip T; Strain, Robert M

    2010-03-30

    This is a brief announcement of our recent proof of global existence and rapid decay to equilibrium of classical solutions to the Boltzmann equation without any angular cutoff, that is, for long-range interactions. We consider perturbations of the Maxwellian equilibrium states and include the physical cross-sections arising from an inverse-power intermolecular potential r(-(p-1)) with p > 2, and more generally. We present here a mathematical framework for unique global in time solutions for all of these potentials. We consider it remarkable that this equation, derived by Boltzmann (1) in 1872 and Maxwell (2) in 1867, grants a basic example where a range of geometric fractional derivatives occur in a physical model of the natural world. Our methods provide a new understanding of the effects due to grazing collisions.

  20. The solution of the relaxation problem for the Boltzmann equation by the integral iteration method

    NASA Technical Reports Server (NTRS)

    Limar, Y. F.

    1972-01-01

    The Boltzmann equation is considered in terms of the problem of relaxation of some initial distribution function which depends only on velocities, to Maxwell's distribution function. The Boltzmann equation is given for the relaxation problem in which the distribution function f(t, u, v) is time dependent and is also dependent on two other variables u and v (the velocities of rigid spherical molecules). An iteration process is discussed in which the velocity space u, v is subdivided into squares, the distribution function in each square being approximated by the second-order surface from the values of the distribution function at nine points. The set of all of these points forms a network of u, v values at the nodes of which the distribution function can be found.

  1. Deterministic numerical solutions of the Boltzmann equation using the fast spectral method

    NASA Astrophysics Data System (ADS)

    Wu, Lei; White, Craig; Scanlon, Thomas J.; Reese, Jason M.; Zhang, Yonghao

    2013-10-01

    The Boltzmann equation describes the dynamics of rarefied gas flows, but the multidimensional nature of its collision operator poses a real challenge for its numerical solution. In this paper, the fast spectral method [36], originally developed by Mouhot and Pareschi for the numerical approximation of the collision operator, is extended to deal with other collision kernels, such as those corresponding to the soft, Lennard-Jones, and rigid attracting potentials. The accuracy of the fast spectral method is checked by comparing our numerical solutions of the space-homogeneous Boltzmann equation with the exact Bobylev-Krook-Wu solutions for a gas of Maxwell molecules. It is found that the accuracy is improved by replacing the trapezoidal rule with Gauss-Legendre quadrature in the calculation of the kernel mode, and the conservation of momentum and energy are ensured by the Lagrangian multiplier method without loss of spectral accuracy. The relax-to-equilibrium processes of different collision kernels with the same value of shear viscosity are then compared; the numerical results indicate that different forms of the collision kernels can be used as long as the shear viscosity (not only the value, but also its temperature dependence) is recovered. An iteration scheme is employed to obtain stationary solutions of the space-inhomogeneous Boltzmann equation, where the numerical errors decay exponentially. Four classical benchmarking problems are investigated: the normal shock wave, and the planar Fourier/Couette/force-driven Poiseuille flows. For normal shock waves, our numerical results are compared with a finite difference solution of the Boltzmann equation for hard sphere molecules, experimental data, and molecular dynamics simulation of argon using the realistic Lennard-Jones potential. For planar Fourier/Couette/force-driven Poiseuille flows, our results are compared with the direct simulation Monte Carlo method. Excellent agreements are observed in all test cases

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

    SciTech Connect

    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 /sup 12/C ions are presented, and improvements required in the exciton injection term are discussed.

  3. Fokker-Planck equation for Boltzmann-type and active particles: transfer probability approach.

    PubMed

    Trigger, S A

    2003-04-01

    A Fokker-Planck equation with velocity-dependent coefficients is considered for various isotropic systems on the basis of probability transition (PT) approach. This method provides a self-consistent and universal description of friction and diffusion for Brownian particles. Renormalization of the friction coefficient is shown to occur for two-dimensional and three-dimensional cases, due to the tensorial character of diffusion. The specific forms of PT are calculated for Boltzmann-type and absorption-type collisions (the latter are typical in dusty plasmas and some other systems). The validity of the Einstein's relation for Boltzmann-type collisions is analyzed for the velocity-dependent friction and diffusion coefficients. For Boltzmann-type collisions in the region of very high grain velocity as well as it is always for non-Boltzmann collisions, such as, absorption collisions, the Einstein relation is violated, although some other relations (determined by the structure of PT) can exist. The generalized friction force is investigated in dusty plasmas in the framework of the PT approach. The relation among this force, the negative collecting friction force, and scattering and collecting drag forces is established. The concept of probability transition is used to describe motion of active particles in an ambient medium. On basis of the physical arguments, the PT for a simple model of the active particle is constructed and the coefficients of the relevant Fokker-Planck equation are found. The stationary solution of this equation is typical for the simplest self-organized molecular machines.

  4. Numerical homogenization of electrokinetic equations in porous media using lattice-Boltzmann simulations

    NASA Astrophysics Data System (ADS)

    Obliger, Amaël; Duvail, Magali; Jardat, Marie; Coelho, Daniel; Békri, Samir; Rotenberg, Benjamin

    2013-07-01

    We report the calculation of all the transfer coefficients which couple the solvent and ionic fluxes through a charged pore under the effect of pressure, electrostatic potential, and concentration gradients. We use a combination of analytical calculations at the Poisson-Nernst-Planck and Navier-Stokes levels of description and mesoscopic lattice simulations based on kinetic theory. In the absence of added salt, i.e., when the only ions present in the fluid are the counterions compensating the charge of the surface, exact analytical expressions for the fluxes in cylindrical pores allow us to validate a new lattice-Boltzmann electrokinetics (LBE) scheme which accounts for the osmotic contribution to the transport of all species. The influence of simulation parameters on the numerical accuracy is thoroughly investigated. In the presence of an added salt, we assess the range of validity of approximate expressions of the fluxes computed from the linearized Poisson-Boltzmann equation by a systematic comparison with LBE simulations.

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

    NASA Astrophysics Data System (ADS)

    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.

  6. Theory of the Lattice Boltzmann Equation: Symmetry properties of Discrete Velocity Sets

    NASA Technical Reports Server (NTRS)

    Rubinstein, Robert; Luo, Li-Shi

    2007-01-01

    In the lattice Boltzmann equation, continuous particle velocity space is replaced by a finite dimensional discrete set. The number of linearly independent velocity moments in a lattice Boltzmann model cannot exceed the number of discrete velocities. Thus, finite dimensionality introduces linear dependencies among the moments that do not exist in the exact continuous theory. Given a discrete velocity set, it is important to know to exactly what order moments are free of these dependencies. Elementary group theory is applied to the solution of this problem. It is found that by decomposing the velocity set into subsets that transform among themselves under an appropriate symmetry group, it becomes relatively straightforward to assess the behavior of moments in the theory. The construction of some standard two- and three-dimensional models is reviewed from this viewpoint, and procedures for constructing some new higher dimensional models are suggested.

  7. Theory of the lattice Boltzmann equation: symmetry properties of discrete velocity sets.

    PubMed

    Rubinstein, Robert; Luo, Li-Shi

    2008-03-01

    The lattice Boltzmann equation replaces continuous particle velocity space by a finite set; the velocity distribution function then varies over a finite-dimensional vector space instead of over an infinite-dimensional function space. The number of linearly independent moments of the distribution function in a lattice Boltzmann model cannot exceed the number of velocities; finite dimensionality therefore necessarily induces linear dependences among the moments that do not exist in a continuous theory. Given a finite velocity set, it is important to know which moments are free of these dependences. Elementary group theory is applied to the solution of this problem. It is found that decomposing the velocity set into subsets that transform among themselves under an appropriate symmetry group makes it straightforward to uncover linear dependences among the moments. The construction of some standard two- and three-dimensional models is reviewed from this viewpoint, and procedures for constructing higher-dimensional models are suggested.

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

    NASA Astrophysics Data System (ADS)

    Ayi, Nathalie

    2017-01-01

    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.

  9. A conservative multi-group approach to the Boltzmann equations for reactive gas mixtures

    NASA Astrophysics Data System (ADS)

    Bisi, M.; Rossani, A.; Spiga, G.

    2015-11-01

    Starting from a simple kinetic model for a quaternary mixture of gases undergoing a bimolecular chemical reaction, multi-group integro-differential equations are derived for the particle distribution functions of all species. The procedure takes advantage of a suitable probabilistic formulation, based on the underlying collision frequencies and transition probabilities, of the relevant reactive kinetic equations of Boltzmann type. Owing to an appropriate choice of a sufficiently large number of weight functions, it is shown that the proposed multi-group equations are able to fulfil exactly, at any order of approximation, the correct conservation laws that must be inherited from the original kinetic equations, where speed was a continuous variable. Future developments are also discussed.

  10. Formulation and numerical analysis of diatomic molecular dissociation using Boltzmann kinetic equation

    NASA Astrophysics Data System (ADS)

    Yano, Ryosuke; Suzuki, Kojiro; Kuroda, Hisayasu

    2007-01-01

    The direct description of chemical reactions by the Boltzmann equation still involves some difficulties in the kinetic theory. In this paper, we describe diatomic molecular dissociation due to transitions of vibrational quantum states resulting from inelastic collisions. These can be described by the Wang Chang-Uhlenbeck (WCU) equation. To avoid direct evaluation of the strong nonlinear collision kernel of the WCU equation, we used a kinetic equation. For accurate description of the dissociation process, we describe improvements we made to the conventional inelastic collision model (the so-called Morse model). Combining this inelastic collision model with the gas mixture model by Oguchi, we formulated a model for representing diatomic molecular dissociations. We validated this model by simulating a hypersonic shock layer with diatomic molecular dissociation.

  11. Nonlinear Boltzmann equation for the homogeneous isotropic case: Some improvements to deterministic methods and applications to relaxation towards local equilibrium

    NASA Astrophysics Data System (ADS)

    Asinari, P.

    2011-03-01

    Boltzmann equation is one the most powerful paradigms for explaining transport phenomena in fluids. Since early fifties, it received a lot of attention due to aerodynamic requirements for high altitude vehicles, vacuum technology requirements and nowadays, micro-electro-mechanical systems (MEMs). Because of the intrinsic mathematical complexity of the problem, Boltzmann himself started his work by considering first the case when the distribution function does not depend on space (homogeneous case), but only on time and the magnitude of the molecular velocity (isotropic collisional integral). The interest with regards to the homogeneous isotropic Boltzmann equation goes beyond simple dilute gases. In the so-called econophysics, a Boltzmann type model is sometimes introduced for studying the distribution of wealth in a simple market. Another recent application of the homogeneous isotropic Boltzmann equation is given by opinion formation modeling in quantitative sociology, also called socio-dynamics or sociophysics. The present work [1] aims to improve the deterministic method for solving homogenous isotropic Boltzmann equation proposed by Aristov [2] by two ideas: (a) the homogeneous isotropic problem is reformulated first in terms of particle kinetic energy (this allows one to ensure exact particle number and energy conservation during microscopic collisions) and (b) a DVM-like correction (where DVM stands for Discrete Velocity Model) is adopted for improving the relaxation rates (this allows one to satisfy exactly the conservation laws at macroscopic level, which is particularly important for describing the late dynamics in the relaxation towards the equilibrium).

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

    NASA Astrophysics Data System (ADS)

    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

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

    SciTech Connect

    Ayissi, Raoul Domingo Noutchegueme, Norbert

    2015-01-15

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

  14. Spatially homogeneous linear Boltzmann equation with external forces in Lebesgue spaces involving exponential weights

    NASA Astrophysics Data System (ADS)

    Chvala, Frantisek

    Subjected to an external electromagnetic field, a rare two-component spatially homogeneous gas consisting of charged and neutral particles is considered. The velocity distribution of the neutral particles being assumed known, the mixture is characterized by the velocity distribution of the charged particles, which is determined as a mild solution of the Boltzmann kinetic equation. Relying upon functional-analytic properties of the collision term, existence and uniqueness of the mild solution are established in some Lebesgue-type function spaces involving exponential weights.

  15. Measure Valued Solutions to the Spatially Homogeneous Boltzmann Equation Without Angular Cutoff

    NASA Astrophysics Data System (ADS)

    Morimoto, Yoshinori; Wang, Shuaikun; Yang, Tong

    2016-12-01

    A uniform approach is introduced to study the existence of measure valued solutions to the homogeneous Boltzmann equation for both hard potential with finite energy, and soft potential with finite or infinite energy, by using Toscani metric. Under the non-angular cutoff assumption on the cross-section, the solutions obtained are shown to be in the Schwartz space in the velocity variable as long as the initial data is not a single Dirac mass without any extra moment condition for hard potential, and with the boundedness on moments of any order for soft potential.

  16. Solution of the Boltzmann Equation for Electrons in Laser-Heated Metals

    NASA Astrophysics Data System (ADS)

    Pietanza, L. D.; Colonna, G.; Capitelli, M.

    2005-05-01

    A kinetic study of the electron relaxation dynamic inside a noble metal film (Ag) subjected to a femtosecond laser pulse has been performed. A time dependent numerical algorithm for the solution of the Boltzmann equations for electrons and phonons inside the film has been developped, considering electron-electron and electron-phonon collisions and the laser perturbation. The dependence of electron-electron and electron-phonon characteristic time-scales on the screening parameter values has been investigated. Electron-electron relaxation times are also compared with experimental data obtained through time-resolved two-photon photoemission technique.

  17. Exponential trend to equilibrium for the inelastic Boltzmann equation driven by a particle bath

    NASA Astrophysics Data System (ADS)

    Cañizo, José A.; Lods, Bertrand

    2016-05-01

    We consider the spatially homogeneous Boltzmann equation for inelastic hard spheres (with constant restitution coefficient α \\in (0,1) ) under the thermalization induced by a host medium with a fixed Maxwellian distribution. We prove that the solution to the associated initial-value problem converges exponentially fast towards the unique equilibrium solution. The proof combines a careful spectral analysis of the linearised semigroup as well as entropy estimates. The trend towards equilibrium holds in the weakly inelastic regime in which α is close to 1, and the rate of convergence is explicit and depends solely on the spectral gap of the elastic linear collision operator.

  18. Relaxation of hot and massive tracers using numerical solutions of the Boltzmann equation

    NASA Astrophysics Data System (ADS)

    Khurana, Saheba; Thachuk, Mark

    2016-03-01

    A numerical method using B-splines is used to solve the linear Boltzmann equation describing the energy relaxation of massive tracer particles moving through a dilute bath gas. The smooth and rough hard sphere and Maxwell molecule models are used with a variety of mass ratios and initial energies to test the capability of the numerical method. Massive tracers are initialized with energies typically found in energy loss experiments in mass spectrometry using biomolecules. The method is also used to examine the applicability of known expressions for the kinetic energy decay from the Fokker-Planck equation for the Rayleigh gas, where we find that results are generally good provided that the initial energy is properly bounded. Otherwise, the energy decay is not constant and a more complex behaviour occurs. The validity of analytical expressions for drag coefficients for spherical particles under specular and diffuse scattering is also tested. We find such expressions are generally good for hard spheres but cannot account, as expected, for the softer repulsive walls of the Maxwell (and real) molecules. Overall, the numerical method performed well even when tracers more than 400 times as massive as the bath were initialized with energies very far from equilibrium. This is a range of applicability beyond many of the standard methods for solving the Boltzmann equation.

  19. Relaxation of hot and massive tracers using numerical solutions of the Boltzmann equation.

    PubMed

    Khurana, Saheba; Thachuk, Mark

    2016-03-14

    A numerical method using B-splines is used to solve the linear Boltzmann equation describing the energy relaxation of massive tracer particles moving through a dilute bath gas. The smooth and rough hard sphere and Maxwell molecule models are used with a variety of mass ratios and initial energies to test the capability of the numerical method. Massive tracers are initialized with energies typically found in energy loss experiments in mass spectrometry using biomolecules. The method is also used to examine the applicability of known expressions for the kinetic energy decay from the Fokker-Planck equation for the Rayleigh gas, where we find that results are generally good provided that the initial energy is properly bounded. Otherwise, the energy decay is not constant and a more complex behaviour occurs. The validity of analytical expressions for drag coefficients for spherical particles under specular and diffuse scattering is also tested. We find such expressions are generally good for hard spheres but cannot account, as expected, for the softer repulsive walls of the Maxwell (and real) molecules. Overall, the numerical method performed well even when tracers more than 400 times as massive as the bath were initialized with energies very far from equilibrium. This is a range of applicability beyond many of the standard methods for solving the Boltzmann equation.

  20. The linear Boltzmann equation in slab geometry - Development and verification of a reliable and efficient solution

    NASA Technical Reports Server (NTRS)

    Stamnes, K.; Lie-Svendsen, O.; Rees, M. H.

    1991-01-01

    The linear Boltzmann equation can be cast in a form mathematically identical to the radiation-transport equation. A multigroup procedure is used to reduce the energy (or velocity) dependence of the transport equation to a series of one-speed problems. Each of these one-speed problems is equivalent to the monochromatic radiative-transfer problem, and existing software is used to solve this problem in slab geometry. The numerical code conserves particles in elastic collisions. Generic examples are provided to illustrate the applicability of this approach. Although this formalism can, in principle, be applied to a variety of test particle or linearized gas dynamics problems, it is particularly well-suited to study the thermalization of suprathermal particles interacting with a background medium when the thermal motion of the background cannot be ignored. Extensions of the formalism to include external forces and spherical geometry are also feasible.

  1. Coupling lattice Boltzmann and continuum equations for flow and reactive transport in porous media.

    SciTech Connect

    Coon, Ethan; Porter, Mark L.; Kang, Qinjun; Moulton, John D.; Lichtner, Peter C.

    2012-06-18

    In spatially and temporally localized instances, capturing sub-reservoir scale information is necessary. Capturing sub-reservoir scale information everywhere is neither necessary, nor computationally possible. The lattice Boltzmann Method for solving pore-scale systems. At the pore-scale, LBM provides an extremely scalable, efficient way of solving Navier-Stokes equations on complex geometries. Coupling pore-scale and continuum scale systems via domain decomposition. By leveraging the interpolations implied by pore-scale and continuum scale discretizations, overlapping Schwartz domain decomposition is used to ensure continuity of pressure and flux. This approach is demonstrated on a fractured medium, in which Navier-Stokes equations are solved within the fracture while Darcy's equation is solved away from the fracture Coupling reactive transport to pore-scale flow simulators allows hybrid approaches to be extended to solve multi-scale reactive transport.

  2. Vectorization of the time-dependent Boltzmann transport equation: Application to deep penetration problems

    NASA Astrophysics Data System (ADS)

    Cobos, Agustín C.; Poma, Ana L.; Alvarez, Guillermo D.; Sanz, Darío E.

    2016-10-01

    We introduce an alternative method to calculate the steady state solution of the angular photon flux after a numerical evolution of the time-dependent Boltzmann transport equation (BTE). After a proper discretization the transport equation was converted into an ordinary system of differential equations that can be iterated as a weighted Richardson algorithm. As a different approach, in this work the time variable regulates the iteration process and convergence criteria is based on physical parameters. Positivity and convergence was assessed from first principles and a modified Courant-Friedrichs-Lewy condition was devised to guarantee convergence. The Penelope Monte Carlo method was used to test the convergence and accuracy of our approach for different phase space discretizations. Benchmarking was performed by calculation of total fluence and photon spectra in different one-dimensional geometries irradiated with 60Co and 6 MV photon beams and radiological applications were devised.

  3. Solitary wave of the Korteweg-de Vries equation based on lattice Boltzmann model with three conservation laws

    NASA Astrophysics Data System (ADS)

    Wang, Huimin

    2017-01-01

    In this paper, a new lattice Boltzmann model for the Korteweg-de Vries (KdV) equation is proposed. By using the Chapman-Enskog expansion and the multi-scale time expansion, a series of partial differential equations in different time scales and several higher- order moments of equilibrium distribution functions are obtained. In order to make the scheme obey the three conservation laws of the KdV equation, two equilibrium distribution functions are used and a correlation between the first conservation law and the second conservation law is constructed. In numerical examples, the numerical results of the KdV equation obtained by this scheme are compared with those results obtained by the previous lattice Boltzmann model. Numerical experiments demonstrate this scheme can be used to reduce the truncation error of the lattice Boltzmann scheme and preserve the three conservation laws.

  4. Thermal transport at the nanoscale: A Fourier's law vs. phonon Boltzmann equation study

    NASA Astrophysics Data System (ADS)

    Kaiser, J.; Feng, T.; Maassen, J.; Wang, X.; Ruan, X.; Lundstrom, M.

    2017-01-01

    Steady-state thermal transport in nanostructures with dimensions comparable to the phonon mean-free-path is examined. Both the case of contacts at different temperatures with no internal heat generation and contacts at the same temperature with internal heat generation are considered. Fourier's law results are compared to finite volume method solutions of the phonon Boltzmann equation in the gray approximation. When the boundary conditions are properly specified, results obtained using Fourier's law without modifying the bulk thermal conductivity are in essentially exact quantitative agreement with the phonon Boltzmann equation in the ballistic and diffusive limits. The errors between these two limits are examined in this paper. For the four cases examined, the error in the apparent thermal conductivity as deduced from a correct application of Fourier's law is less than 6%. We also find that the Fourier's law results presented here are nearly identical to those obtained from a widely used ballistic-diffusive approach but analytically much simpler. Although limited to steady-state conditions with spatial variations in one dimension and to a gray model of phonon transport, the results show that Fourier's law can be used for linear transport from the diffusive to the ballistic limit. The results also contribute to an understanding of how heat transport at the nanoscale can be understood in terms of the conceptual framework that has been established for electron transport at the nanoscale.

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

  6. Numerical solution of the linearized Boltzmann equation for an arbitrary intermolecular potential

    SciTech Connect

    Sharipov, Felix Bertoldo, Guilherme

    2009-05-20

    A numerical procedure to solve the linearized Boltzmann equation with an arbitrary intermolecular potential by the discrete velocity method is elaborated. The equation is written in terms of the kernel, which contains the differential cross section and represents a singularity. As an example, the Lennard-Jones potential is used and the corresponding differential cross section is calculated and tabulated. Then, the kernel is calculated so that to overcome its singularity. Once, the kernel is known and stored it can be used for many kinds of gas flows. In order to test the method, the transport coefficients, i.e. thermal conductivity and viscosity for all noble gases, are calculated and compared with those obtained by the variational method using the Sonine polynomials expansion. The fine agreement between the results obtained by the two different methods shows the feasibility of application of the proposed technique to calculate rarefied gas flows over the whole range of the Knudsen number.

  7. Second-order curved boundary treatments of the lattice Boltzmann method for convection-diffusion equations

    NASA Astrophysics Data System (ADS)

    Huang, Juntao; Hu, Zexi; Yong, Wen-An

    2016-04-01

    In this paper, we present a kind of second-order curved boundary treatments for the lattice Boltzmann method solving two-dimensional convection-diffusion equations with general nonlinear Robin boundary conditions. The key idea is to derive approximate boundary values or normal derivatives on computational boundaries, with second-order accuracy, by using the prescribed boundary condition. Once the approximate information is known, the second-order bounce-back schemes can be perfectly adopted. Our boundary treatments are validated with a number of numerical examples. The results show the utility of our boundary treatments and very well support our theoretical predications on the second-order accuracy thereof. The idea is quite universal. It can be directly generalized to 3-dimensional problems, multiple-relaxation-time models, and the Navier-Stokes equations.

  8. A New 2D-Transport, 1D-Diffusion Approximation of the Boltzmann Transport equation

    SciTech Connect

    Larsen, Edward

    2013-06-17

    The work performed in this project consisted of the derivation, implementation, and testing of a new, computationally advantageous approximation to the 3D Boltz- mann transport equation. The solution of the Boltzmann equation is the neutron flux in nuclear reactor cores and shields, but solving this equation is difficult and costly. The new “2D/1D” approximation takes advantage of a special geometric feature of typical 3D reactors to approximate the neutron transport physics in a specific (ax- ial) direction, but not in the other two (radial) directions. The resulting equation is much less expensive to solve computationally, and its solutions are expected to be sufficiently accurate for many practical problems. In this project we formulated the new equation, discretized it using standard methods, developed a stable itera- tion scheme for solving the equation, implemented the new numerical scheme in the MPACT code, and tested the method on several realistic problems. All the hoped- for features of this new approximation were seen. For large, difficult problems, the resulting 2D/1D solution is highly accurate, and is calculated about 100 times faster than a 3D discrete ordinates simulation.

  9. A fractal Richards’ equation to capture the non-Boltzmann scaling of water transport in unsaturated media

    PubMed Central

    Sun, HongGuang; Meerschaert, Mark M.; Zhang, Yong; Zhu, Jianting; Chen, Wen

    2013-01-01

    The traditional Richards’ equation implies that the wetting front in unsaturated soil follows Boltzmann scaling, with travel distance growing as the square root of time. This study proposes a fractal Richards’ equation (FRE), replacing the integer-order time derivative of water content by a fractal derivative, using a power law ruler in time. FRE solutions exhibit anomalous non-Boltzmann scaling, attributed to the fractal nature of heterogeneous media. Several applications are presented, fitting the FRE to water content curves from previous literature. PMID:23794783

  10. Lattice Boltzmann methods for some 2-D nonlinear diffusion equations:Computational results

    SciTech Connect

    Elton, B.H.; Rodrigue, G.H. . Dept. of Applied Science Lawrence Livermore National Lab., CA ); Levermore, C.D. . Dept. of Mathematics)

    1990-01-01

    In this paper we examine two lattice Boltzmann methods (that are a derivative of lattice gas methods) for computing solutions to two two-dimensional nonlinear diffusion equations of the form {partial derivative}/{partial derivative}t u = v ({partial derivative}/{partial derivative}x D(u){partial derivative}/{partial derivative}x u + {partial derivative}/{partial derivative}y D(u){partial derivative}/{partial derivative}y u), where u = u({rvec x},t), {rvec x} {element of} R{sup 2}, v is a constant, and D(u) is a nonlinear term that arises from a Chapman-Enskog asymptotic expansion. In particular, we provide computational evidence supporting recent results showing that the methods are second order convergent (in the L{sub 1}-norm), conservative, conditionally monotone finite difference methods. Solutions computed via the lattice Boltzmann methods are compared with those computed by other explicit, second order, conservative, monotone finite difference methods. Results are reported for both the L{sub 1}- and L{sub {infinity}}-norms.

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

    PubMed Central

    Botello-Smith, Wesley M.; Luo, Ray

    2016-01-01

    Continuum solvent models have been widely used in biomolecular modeling applications. Recently much attention has been given to inclusion of implicit membrane into existing continuum Poisson-Boltzmann solvent models to extend their applications to membrane systems. Inclusion of an implicit membrane complicates numerical solutions of the underlining Poisson-Boltzmann equation due to the dielectric inhomogeneity on the boundary surfaces of a computation grid. This can be alleviated by the use of the periodic boundary condition, a common practice in electrostatic computations in particle simulations. The conjugate gradient and successive over-relaxation methods are relatively straightforward to be adapted to periodic calculations, but their convergence rates are quite low, limiting their applications to free energy simulations that require a large number of conformations to be processed. To accelerate convergence, the Incomplete Cholesky preconditioning and the geometric multi-grid methods have been extended to incorporate periodicity for biomolecular applications. Impressive convergence behaviors were found as in the previous applications of these numerical methods to tested biomolecules and MMPBSA calculations. PMID:26389966

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

    PubMed Central

    Colmenares, José; Galizia, Antonella; Ortiz, Jesús; Clematis, Andrea; Rocchia, Walter

    2014-01-01

    The Poisson-Boltzmann equation models the electrostatic potential generated by fixed charges on a polarizable solute immersed in an ionic solution. This approach is often used in computational structural biology to estimate the electrostatic energetic component of the assembly of molecular biological systems. In the last decades, the amount of data concerning proteins and other biological macromolecules has remarkably increased. To fruitfully exploit these data, a huge computational power is needed as well as software tools capable of exploiting it. It is therefore necessary to move towards high performance computing and to develop proper parallel implementations of already existing and of novel algorithms. Nowadays, workstations can provide an amazing computational power: up to 10 TFLOPS on a single machine equipped with multiple CPUs and accelerators such as Intel Xeon Phi or GPU devices. The actual obstacle to the full exploitation of modern heterogeneous resources is efficient parallel coding and porting of software on such architectures. In this paper, we propose the implementation of a full Poisson-Boltzmann solver based on a finite-difference scheme using different and combined parallel schemes and in particular a mixed MPI-CUDA implementation. Results show great speedups when using the two schemes, achieving an 18.9x speedup using three GPUs. PMID:25013789

  13. Laser-induced plasma electron number density: Stark broadening method versus the Saha-Boltzmann equation

    NASA Astrophysics Data System (ADS)

    Arnab, Sarkar; Manjeet, Singh

    2017-02-01

    We report spectroscopic studies on plasma electron number density of laser-induced plasma produced by ns-Nd:YAG laser light pulses on an aluminum sample in air at atmospheric pressure. The effect of different laser energy and the effect of different laser wavelengths were compared. The experimentally observed line profiles of neutral aluminum have been used to extract the excitation temperature using the Boltzmann plot method, whereas the electron number density has been determined from the Stark broadened as well as using the Saha-Boltzmann equation (SBE). Each approach was also carried out by using the Al emission line and Mg emission lines. It was observed that the SBE method generated a little higher electron number density value than the Stark broadening method, but within the experimental uncertainty range. Comparisons of N e determined by the two methods show the presence of a linear relation which is independent of laser energy or laser wavelength. These results show the applicability of the SBE method for N e determination, especially when the system does not have any pure emission lines whose electron impact factor is known. Also use of Mg lines gives superior results than Al lines.

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

    NASA Astrophysics Data System (ADS)

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

    2014-10-01

    A multi term theory for solving the Boltzmann equation and Monte Carlo simulation technique are used to investigate electron transport in Resistive Plate Chambers (RPCs) that are used for timing and triggering purposes in many high energy physics experiments at CERN and elsewhere. Using cross sections for electron scattering in C2H2F4, iso-C4H10 and SF6 as an input in our Boltzmann and Monte Carlo codes, we have calculated data for electron transport as a function of reduced electric field E/N in various C2H2F4/iso-C4H10/SF6 gas mixtures used in RPCs in the ALICE, CMS and ATLAS experiments. Emphasis is placed upon the explicit and implicit effects of non-conservative collisions (e.g. electron attachment and/or ionization) on the drift and diffusion. Among many interesting and atypical phenomena induced by the explicit effects of non-conservative collisions, we note the existence of negative differential conductivity (NDC) in the bulk drift velocity component with no indication of any NDC for the flux component in the ALICE timing RPC system. We systematically study the origin and mechanisms for such phenomena as well as the possible physical implications which arise from their explicit inclusion into models of RPCs. Spatially-resolved electron transport properties are calculated using a Monte Carlo simulation technique in order to understand these phenomena.

  15. A combined MPI-CUDA parallel solution of linear and nonlinear Poisson-Boltzmann equation.

    PubMed

    Colmenares, José; Galizia, Antonella; Ortiz, Jesús; Clematis, Andrea; Rocchia, Walter

    2014-01-01

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

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

    PubMed

    Botello-Smith, Wesley M; Luo, Ray

    2015-10-26

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

  17. On Weak Solutions to the Linear Boltzmann Equation with Inelastic Coulomb Collisions

    SciTech Connect

    Pettersson, Rolf

    2011-05-20

    This paper considers the time- and space-dependent linear Boltzmann equation with general boundary conditions in the case of inelastic (granular) collisions. First, in the (angular) cut-off case, mild L{sup 1}-solutions are constructed as limits of the iterate functions and boundedness of higher velocity moments are discussed in the case of inverse power collisions forces. Then the problem of the weak solutions, as weak limit of a sequence of mild solutions, is studied for a bounded body, in the case of very soft interactions (including the Coulomb case). Furthermore, strong convergence of weak solutions to the equilibrium, when time goes to infinity, is discussed, using a generalized H-theorem, together with a translation continuity property.

  18. Variational approach to extracting the phonon mean free path distribution from the spectral Boltzmann transport equation

    NASA Astrophysics Data System (ADS)

    Chiloyan, Vazrik; Zeng, Lingping; Huberman, Samuel; Maznev, Alexei A.; Nelson, Keith A.; Chen, Gang

    2016-04-01

    The phonon Boltzmann transport equation (BTE) is a powerful tool for studying nondiffusive thermal transport. Here, we develop a new universal variational approach to solving the BTE that enables extraction of phonon mean free path (MFP) distributions from experiments exploring nondiffusive transport. By utilizing the known Fourier heat conduction solution as a trial function, we present a direct approach to calculating the effective thermal conductivity from the BTE. We demonstrate this technique on the transient thermal grating experiment, which is a useful tool for studying nondiffusive thermal transport and probing the MFP distribution of materials. We obtain a closed form expression for a suppression function that is materials dependent, successfully addressing the nonuniversality of the suppression function used in the past, while providing a general approach to studying thermal properties in the nondiffusive regime.

  19. The electron Boltzmann equation in a plasma generated by fission fragments

    NASA Technical Reports Server (NTRS)

    Hassan, H. A.; Deese, J. E.

    1976-01-01

    A Boltzmann equation formulation is presented for the determination of the electron distribution function in a plasma generated by fission fragments. The formulation takes into consideration ambipolar diffusion, elastic and inelastic collisions, recombination and ionization, and allows for the fact that the primary electrons are not monoenergetic. Calculations for He in a tube coated with fissionable material show that, over a wide pressure and neutron flux range, the distribution function is non-Maxwellian, but the electrons are essentially thermal. Moreover, about a third of the energy of the primary electrons is transferred into the inelastic levels of He. This fraction of energy transfer is almost independent of pressure and neutron flux but increases sharply in the presence of a sustainer electric field.

  20. Membrane potential and ion partitioning in an erythrocyte using the Poisson-Boltzmann equation.

    PubMed

    Barbosa, Nathalia S V; Lima, Eduardo R A; Boström, Mathias; Tavares, Frederico W

    2015-05-28

    In virtually all mammal cells, we can observe a much higher concentration of potassium ions inside the cell and vice versa for sodium ions. Classical theories ignore the specific ion effects and the difference in the thermodynamic reference states between intracellular and extracellular environments. Usually, this differential ion partitioning across a cell membrane is attributed exclusively to the active ion transport. Our aim is to investigate how much the dispersion forces contribute to active ion pumps in an erythrocyte (red blood cell) as well as the correction of chemical potential reference states between intracellular and extracellular environments. The ionic partition and the membrane potential in an erythrocyte are analyzed by the modified Poisson-Boltzmann equation, considering nonelectrostatic interactions between ions and macromolecules. Results show that the nonelectrostatic potential calculated by Lifshitz theory has only a small influence with respect to the high concentration of K(+) in the intracellular environment in comparison with Na(+).

  1. High throughput solution of Boltzmann transport equation: phonons, thermal conductivity and beyond

    NASA Astrophysics Data System (ADS)

    Plata, Jose; Nath, Pinku; Usanmaz, Demet; Toher, Cormac; Fornari, Marco; Buongiorno Nardelli, Marco; Curtarolo, Stefano

    Quantatively accurate predictions of the lattice thermal conductivity have important implications for key technologies ranging from thermoelectrics to thermal barrier coatings. Of the many approaches with varying computational costs and accuracy, which have been developed in the last years, the solution of the Boltzmann transport equation (BTE) is the only approach that guarantees accurate predictions of this property. We have implemented this methodology in the AFLOW high throughput materials science framework, which enables us to compute these anharmonic force constants and solve BTE to obtain the lattice thermal conductivity and related properties automatically in a single step. This technique can be combined with less expensive methodologies previously implemented in AFLOW to create an efficient and fast framework to accelerate the discovery of materials with interesting thermal properties.

  2. Numerical simulation of flow around rectangular cylinders using the Boltzmann equation

    NASA Astrophysics Data System (ADS)

    Rovenskaya, O. I.; Aristov, V. V.

    2016-11-01

    A two-dimensional unsteady flow past a rectangular cylinder has been investigated numerically using the Boltzmann equation. The effect of cylinder aspect ratio varying from 1 to 10 and the flow Reynolds number from 10 to 400 on flow pattern has been analyzed. Results are presented in terms of drag, lift and pressure coefficients and Strouhal number of vortex shedding. Flow visualization images in the wake of the cylinder are shown and discussed. It was found that the shape and size of the recirculation bubble downstream of the cylinder are strong functions of its aspect ratio. Drag, lift, pressure coefficients and Strouhal number strongly depend on Re in steady regime while a dependence becomes weaker in unsteady flow regime. The flow configuration over a cylinder also varies with the aspect ratio. In addition, the present predictions are compared with numerical and experimental results from other works and a good agreement is reached.

  3. Raman scattering in a two-dimensional electron gas: Boltzmann equation approach

    NASA Astrophysics Data System (ADS)

    Mishchenko, E. G.

    1999-06-01

    The inelastic light scattering in a two-dimensional electron gas is studied theoretically using the Boltzmann equation techniques. Electron-hole excitations produce the Raman spectrum essentially different from the one predicted for the 3D case. In the clean limit it has the form of a strong nonsymmetric resonance due to the square-root singularity at the electron-hole frequency ω=vk, while in the opposite dirty limit the usual Lorentzian shape of the cross section is reestablished. The effects of electromagnetic field are considered self-consistently, and the contribution from collective plasmon modes is found. It is shown that unlike 3D metals where plasmon excitations are unobservable (because of very large required transferred frequencies), the two-dimensional electron system gives rise to a low-frequency (ω~k1/2) plasmon peak. A measurement of the width of this peak can provide data on the magnitude of the electron-scattering rate.

  4. New solution decomposition and minimization schemes for Poisson-Boltzmann equation in calculation of biomolecular electrostatics

    NASA Astrophysics Data System (ADS)

    Xie, Dexuan

    2014-10-01

    The Poisson-Boltzmann equation (PBE) is one widely-used implicit solvent continuum model in the calculation of electrostatic potential energy for biomolecules in ionic solvent, but its numerical solution remains a challenge due to its strong singularity and nonlinearity caused by its singular distribution source terms and exponential nonlinear terms. To effectively deal with such a challenge, in this paper, new solution decomposition and minimization schemes are proposed, together with a new PBE analysis on solution existence and uniqueness. Moreover, a PBE finite element program package is developed in Python based on the FEniCS program library and GAMer, a molecular surface and volumetric mesh generation program package. Numerical tests on proteins and a nonlinear Born ball model with an analytical solution validate the new solution decomposition and minimization schemes, and demonstrate the effectiveness and efficiency of the new PBE finite element program package.

  5. Evaluation of the Lattice-Boltzmann Equation Solver PowerFLOW for Aerodynamic Applications

    NASA Technical Reports Server (NTRS)

    Lockard, David P.; Luo, Li-Shi; Singer, Bart A.; Bushnell, Dennis M. (Technical Monitor)

    2000-01-01

    A careful comparison of the performance of a commercially available Lattice-Boltzmann Equation solver (Power-FLOW) was made with a conventional, block-structured computational fluid-dynamics code (CFL3D) for the flow over a two-dimensional NACA-0012 airfoil. The results suggest that the version of PowerFLOW used in the investigation produced solutions with large errors in the computed flow field; these errors are attributed to inadequate resolution of the boundary layer for reasons related to grid resolution and primitive turbulence modeling. The requirement of square grid cells in the PowerFLOW calculations limited the number of points that could be used to span the boundary layer on the wing and still keep the computation size small enough to fit on the available computers. Although not discussed in detail, disappointing results were also obtained with PowerFLOW for a cavity flow and for the flow around a generic helicopter configuration.

  6. An asymptotic-preserving scheme for the semiconductor Boltzmann equation toward the energy-transport limit

    SciTech Connect

    Hu, Jingwei; Wang, Li

    2015-01-15

    We design an asymptotic-preserving scheme for the semiconductor Boltzmann equation which leads to an energy-transport system for electron mass and energy as mean free path goes to zero. As opposed to the classical drift-diffusion limit where the stiff collisions are all in one scale, new difficulties arise in the two-scale stiff collision terms because the simple BGK penalization [15] fails to drive the solution to the correct limit. We propose to set up a spatially dependent threshold on the penalization of the stiffer collision operator such that the evolution of the solution resembles a Hilbert expansion at the continuous level. Formal asymptotic analysis and numerical results confirm the efficiency and accuracy of our scheme.

  7. dugksFoam: An open source OpenFOAM solver for the Boltzmann model equation

    NASA Astrophysics Data System (ADS)

    Zhu, Lianhua; Chen, Songze; Guo, Zhaoli

    2017-04-01

    A deterministic Boltzmann model equation solver called dugksFoam has been developed in the framework of the open source CFD toolbox OpenFOAM. The solver adopts the discrete unified gas kinetic scheme (Guo et al., 2015) with the Shakhov collision model. It has been validated by simulating several test cases covering different flow regimes including the one dimensional shock tube problem, a two dimensional thermal induced flow and the three dimensional lid-driven cavity flow. The solver features a parallel computing ability based on the velocity space decomposition, which is different from the physical space decomposition based approach provided by the OpenFOAM framework. The two decomposition approaches have been compared in both two and three dimensional cases. The parallel performance improves significantly using the newly implemented approach. A speed up by two orders of magnitudes has been observed using 256 cores on a small cluster.

  8. Generalized Kinetic Description of Steady-State Collisionless Plasmas

    NASA Technical Reports Server (NTRS)

    Khazanov, G. V.; Liemohn, M. W.; Krivorutsky, E. N.

    1997-01-01

    We present a general solution to the collisionless Boltzmann (Vlasov) equation for a free-flowing plasma along a magnetic field line using Liouville's theorem, allowing for an arbitrary potential structure including non-monotonicities. The constraints of the existing collisionless kinetic transport models are explored, and the need for a more general approach to the problem of self- consistent potential energy calculations is described. Then a technique that handles an arbitrary potential energy distribution along the field line is presented and discussed. For precipitation of magnetospherically trapped hot plasma, this model yields moment calculations that vary by up to a factor of two for various potential energy structures with the same total potential drop. The differences are much greater for the high-latitude outflow scenario, giving order of magnitude variations depending on the shape of the potential energy distribution.

  9. Nonlinear dynamics from the relativistic Boltzmann equation in the Friedmann-Lemaître-Robertson-Walker spacetime

    NASA Astrophysics Data System (ADS)

    Bazow, D.; Denicol, G. S.; Heinz, U.; Martinez, M.; Noronha, J.

    2016-12-01

    The dissipative dynamics of an expanding massless gas with constant cross section in a spatially flat Friedmann-Lemaître-Robertson-Walker (FLRW) universe is studied. The mathematical problem of solving the full nonlinear relativistic Boltzmann equation is recast into an infinite set of nonlinear ordinary differential equations for the moments of the one-particle distribution function. Momentum-space resolution is determined by the number of nonhydrodynamic modes included in the moment hierarchy, i.e., by the truncation order. We show that in the FLRW spacetime the nonhydrodynamic modes decouple completely from the hydrodynamic degrees of freedom. This results in the system flowing as an ideal fluid while at the same time producing entropy. The solutions to the nonlinear Boltzmann equation exhibit transient tails of the distribution function with nontrivial momentum dependence. The evolution of this tail is not correctly captured by the relaxation time approximation nor by the linearized Boltzmann equation. However, the latter probes additional high-momentum details unresolved by the relaxation time approximation. While the expansion of the FLRW spacetime is slow enough for the system to move towards (and not away from) local thermal equilibrium, it is not sufficiently slow for the system to actually ever reach complete local equilibrium. Equilibration is fastest in the relaxation time approximation, followed, in turn, by kinetic evolution with a linearized and a fully nonlinear Boltzmann collision term.

  10. Fast Maximum Entropy Moment Closure Approach to Solving the Boltzmann Equation

    NASA Astrophysics Data System (ADS)

    Summy, Dustin; Pullin, Dale

    2015-11-01

    We describe a method for a moment-based solution of the Boltzmann Equation (BE). This is applicable to an arbitrary set of velocity moments whose transport is governed by partial-differential equations (PDEs) derived from the BE. The equations are unclosed, containing both higher-order moments and molecular-collision terms. These are evaluated using a maximum-entropy reconstruction of the velocity distribution function f (c , x , t) , from the known moments, within a finite-box domain of single-particle velocity (c) space. Use of a finite-domain alleviates known problems (Junk and Unterreiter, Continuum Mech. Thermodyn., 2002) concerning existence and uniqueness of the reconstruction. Unclosed moments are evaluated with quadrature while collision terms are calculated using any desired method. This allows integration of the moment PDEs in time. The high computational cost of the general method is greatly reduced by careful choice of the velocity moments, allowing the necessary integrals to be reduced from three- to one-dimensional in the case of strictly 1D flows. A method to extend this enhancement to fully 3D flows is discussed. Comparison with relaxation and shock-wave problems using the DSMC method will be presented. Partially supported by NSF grant DMS-1418903.

  11. Improved lattice Boltzmann modeling of binary flow based on the conservative Allen-Cahn equation

    NASA Astrophysics Data System (ADS)

    Ren, Feng; Song, Baowei; Sukop, Michael C.; Hu, Haibao

    2016-08-01

    The primary and key task of binary fluid flow modeling is to track the interface with good accuracy, which is usually challenging due to the sharp-interface limit and numerical dispersion. This article concentrates on further development of the conservative Allen-Cahn equation (ACE) [Geier et al., Phys. Rev. E 91, 063309 (2015), 10.1103/PhysRevE.91.063309] under the framework of the lattice Boltzmann method (LBM), with incorporation of the incompressible hydrodynamic equations [Liang et al., Phys. Rev. E 89, 053320 (2014), 10.1103/PhysRevE.89.053320]. Utilizing a modified equilibrium distribution function and an additional source term, this model is capable of correctly recovering the conservative ACE through the Chapman-Enskog analysis. We also simulate four phase-tracking benchmark cases, including one three-dimensional case; all show good accuracy as well as low numerical dispersion. By coupling the incompressible hydrodynamic equations, we also simulate layered Poiseuille flow and the Rayleigh-Taylor instability, illustrating satisfying performance in dealing with complex flow problems, e.g., high viscosity ratio, high density ratio, and high Reynolds number situations. The present work provides a reliable and efficient solution for binary flow modeling.

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

    NASA Astrophysics Data System (ADS)

    Zheng, Lin; Zheng, Song; Zhai, Qinglan

    2016-02-01

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

  13. Ion strength limit of computed excess functions based on the linearized Poisson-Boltzmann equation.

    PubMed

    Fraenkel, Dan

    2015-12-05

    The linearized Poisson-Boltzmann (L-PB) equation is examined for its κ-range of validity (κ, Debye reciprocal length). This is done for the Debye-Hückel (DH) theory, i.e., using a single ion size, and for the SiS treatment (D. Fraenkel, Mol. Phys. 2010, 108, 1435), which extends the DH theory to the case of ion-size dissimilarity (therefore dubbed DH-SiS). The linearization of the PB equation has been claimed responsible for the DH theory's failure to fit with experiment at > 0.1 m; but DH-SiS fits with data of the mean ionic activity coefficient, γ± (molal), against m, even at m > 1 (κ > 0.33 Å(-1) ). The SiS expressions combine the overall extra-electrostatic potential energy of the smaller ion, as central ion-Ψa>b (κ), with that of the larger ion, as central ion-Ψb>a (κ); a and b are, respectively, the counterion and co-ion distances of closest approach. Ψa>b and Ψb>a are derived from the L-PB equation, which appears to conflict with their being effective up to moderate electrolyte concentrations (≈1 m). However, the L-PB equation can be valid up to κ ≥ 1.3 Å(-1) if one abandons the 1/κ criterion for its effectiveness and, instead, use, as criterion, the mean-field electrostatic interaction potential of the central ion with its ion cloud, at a radial distance dividing the cloud charge into two equal parts. The DH theory's failure is, thus, not because of using the L-PB equation; the lethal approximation is assigning a single size to the positive and negative ions.

  14. A Numerical Solution to the Boltzmann Equation for Use in Calculating Pumping Rates in a CO2 Discharge Laser

    DTIC Science & Technology

    1989-12-01

    Numerical Solution ....... ....................... 113 E.1 Gauss- Jordan .......................................... 113 E.2 L-U Decomposition...2.4 Numerical Solution of the Boltzmann Equation Four numerical were used to solve equation (39). These were: : Gauss- Jordan , L-U Decom- position...both the Gauss- Jordan and L-U decomposition methods. 2.5 Transport Coefficiente In order to provide the required input to the laser design program CO2OSC

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

    NASA Astrophysics Data System (ADS)

    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

  16. TH-E-BRE-02: A Forward Scattering Approximation to Dose Calculation Using the Linear Boltzmann Transport Equation

    SciTech Connect

    Catt, B; Snyder, M

    2014-06-15

    Purpose: To investigate the use of the linear Boltzmann transport equation as a dose calculation tool which can account for interface effects, while still having faster computation times than Monte Carlo methods. In particular, we introduce a forward scattering approximation, in hopes of improving calculation time without a significant hindrance to accuracy. Methods: Two coupled Boltzmann transport equations were constructed, one representing the fluence of photons within the medium, and the other, the fluence of electrons. We neglect the scattering term within the electron transport equation, resulting in an extreme forward scattering approximation to reduce computational complexity. These equations were then solved using a numerical technique for solving partial differential equations, known as a finite difference scheme, where the fluence at each discrete point in space is calculated based on the fluence at the previous point in the particle's path. Using this scheme, it is possible to develop a solution to the Boltzmann transport equations by beginning with boundary conditions and iterating across the entire medium. The fluence of electrons can then be used to find the dose at any point within the medium. Results: Comparisons with Monte Carlo simulations indicate that even simplistic techniques for solving the linear Boltzmann transport equation yield expected interface effects, which many popular dose calculation algorithms are not capable of predicting. Implementation of a forward scattering approximation does not appear to drastically reduce the accuracy of this algorithm. Conclusion: Optimized implementations of this algorithm have been shown to be very accurate when compared with Monte Carlo simulations, even in build up regions where many models fail. Use of a forward scattering approximation could potentially give a reasonably accurate dose distribution in a shorter amount of time for situations where a completely accurate dose distribution is not

  17. Multiterm spherical tensor representation of Boltzmann's equation for a nonhydrodynamic weakly ionized plasma.

    PubMed

    Robson, R E; Winkler, R; Sigeneger, F

    2002-05-01

    The Boltzmann equation corresponding to a general "multiterm" representation of the phase space distribution function f(r,c,t) for charged particles in a gas in an electric field was reformulated entirely in terms of spherical tensors f(l)(m) some time ago, and numerous applications, including extension to time varying and crossed electric and magnetic fields, have followed. However, these applications have, by and large, been limited to the hydrodynamic conditions that prevail in swarm experiments and the full potential of the tensor formalism has thus never been realized. This paper resumes the discussion in the context of the more general nonhydrodynamic situation. Geometries for which a simple Legendre polynomial expansion suffices to represent f are discussed briefly, but the emphasis is upon cylindrical geometry, where such simplification does not arise. In particular, we consider an axisymmetric cylindrical column of weakly ionized plasma, and derive an infinite hierarchy of integrodifferential equations for the expansion coefficients of the phase space distribution function, valid for both electrons and ions, and for all types of binary interaction with neutral gas molecules.

  18. Leptogenesis with heavy neutrino flavours: from density matrix to Boltzmann equations

    SciTech Connect

    Blanchet, Steve; Bari, Pasquale Di; Jones, David A.; Marzola, Luca E-mail: pdb1d08@soton.ac.uk E-mail: daj1g08@soton.ac.uk

    2013-01-01

    Leptogenesis with heavy neutrino flavours is discussed within a density matrix formalism. We write the density matrix equation, describing the generation of the matter-antimatter asymmetry, for an arbitrary choice of the right-handed (RH) neutrino masses. For hierarchical RH neutrino masses lying in the fully flavoured regimes, this reduces to multiple-stage Boltzmann equations. In this case we recover and extend results previously derived within a quantum state collapse description. We confirm the generic existence of phantom terms. However, taking into account the effect of gauge interactions, we show that they are washed out at the production with a wash-out rate that is halved compared to that one acting on the total asymmetry. In the N{sub 1}-dominated scenario they cancel without contributing to the final baryon asymmetry. In other scenarios they do not in general and they have to be taken into account. We also confirm that there is a (orthogonal) component in the asymmetry produced by the heavier RH neutrinos which completely escapes the washout from the lighter RH neutrinos and show that phantom terms additionally contribute to it. The other (parallel) component is washed out with the usual exponential factor, even for weak washout. Finally, as an illustration, we study the two RH neutrino model in the light of the above findings, showing that phantom terms can contribute to the final asymmetry also in this case.

  19. Multipseudopotential interaction: A consistent study of cubic equations of state in lattice Boltzmann models

    NASA Astrophysics Data System (ADS)

    Khajepor, Sorush; Chen, Baixin

    2016-01-01

    A method is developed to analytically and consistently implement cubic equations of state into the recently proposed multipseudopotential interaction (MPI) scheme in the class of two-phase lattice Boltzmann (LB) models [S. Khajepor, J. Wen, and B. Chen, Phys. Rev. E 91, 023301 (2015)], 10.1103/PhysRevE.91.023301. An MPI forcing term is applied to reduce the constraints on the mathematical shape of the thermodynamically consistent pseudopotentials; this allows the parameters of the MPI forces to be determined analytically without the need of curve fitting or trial and error methods. Attraction and repulsion parts of equations of state (EOSs), representing underlying molecular interactions, are modeled by individual pseudopotentials. Four EOSs, van der Waals, Carnahan-Starling, Peng-Robinson, and Soave-Redlich-Kwong, are investigated and the results show that the developed MPI-LB system can satisfactorily recover the thermodynamic states of interest. The phase interface is predicted analytically and controlled via EOS parameters independently and its effect on the vapor-liquid equilibrium system is studied. The scheme is highly stable to very high density ratios and the accuracy of the results can be enhanced by increasing the interface resolution. The MPI drop is evaluated with regard to surface tension, spurious velocities, isotropy, dynamic behavior, and the stability dependence on the relaxation time.

  20. Leptogenesis with heavy neutrino flavours: from density matrix to Boltzmann equations

    NASA Astrophysics Data System (ADS)

    Blanchet, Steve; Di Bari, Pasquale; Jones, David A.; Marzola, Luca

    2013-01-01

    Leptogenesis with heavy neutrino flavours is discussed within a density matrix formalism. We write the density matrix equation, describing the generation of the matter-antimatter asymmetry, for an arbitrary choice of the right-handed (RH) neutrino masses. For hierarchical RH neutrino masses lying in the fully flavoured regimes, this reduces to multiple-stage Boltzmann equations. In this case we recover and extend results previously derived within a quantum state collapse description. We confirm the generic existence of phantom terms. However, taking into account the effect of gauge interactions, we show that they are washed out at the production with a wash-out rate that is halved compared to that one acting on the total asymmetry. In the N1-dominated scenario they cancel without contributing to the final baryon asymmetry. In other scenarios they do not in general and they have to be taken into account. We also confirm that there is a (orthogonal) component in the asymmetry produced by the heavier RH neutrinos which completely escapes the washout from the lighter RH neutrinos and show that phantom terms additionally contribute to it. The other (parallel) component is washed out with the usual exponential factor, even for weak washout. Finally, as an illustration, we study the two RH neutrino model in the light of the above findings, showing that phantom terms can contribute to the final asymmetry also in this case.

  1. Multipseudopotential interaction: A consistent study of cubic equations of state in lattice Boltzmann models.

    PubMed

    Khajepor, Sorush; Chen, Baixin

    2016-01-01

    A method is developed to analytically and consistently implement cubic equations of state into the recently proposed multipseudopotential interaction (MPI) scheme in the class of two-phase lattice Boltzmann (LB) models [S. Khajepor, J. Wen, and B. Chen, Phys. Rev. E 91, 023301 (2015)]10.1103/PhysRevE.91.023301. An MPI forcing term is applied to reduce the constraints on the mathematical shape of the thermodynamically consistent pseudopotentials; this allows the parameters of the MPI forces to be determined analytically without the need of curve fitting or trial and error methods. Attraction and repulsion parts of equations of state (EOSs), representing underlying molecular interactions, are modeled by individual pseudopotentials. Four EOSs, van der Waals, Carnahan-Starling, Peng-Robinson, and Soave-Redlich-Kwong, are investigated and the results show that the developed MPI-LB system can satisfactorily recover the thermodynamic states of interest. The phase interface is predicted analytically and controlled via EOS parameters independently and its effect on the vapor-liquid equilibrium system is studied. The scheme is highly stable to very high density ratios and the accuracy of the results can be enhanced by increasing the interface resolution. The MPI drop is evaluated with regard to surface tension, spurious velocities, isotropy, dynamic behavior, and the stability dependence on the relaxation time.

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

    SciTech Connect

    Maassen, Jesse Lundstrom, Mark

    2015-04-07

    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.

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

    SciTech Connect

    Liu, Chang; Xu, Kun; Sun, Quanhua; Cai, Qingdong

    2016-06-01

    Fluid dynamic equations are valid in their respective modeling scales, such as the particle mean free path scale of the Boltzmann equation and the hydrodynamic scale of the Navier–Stokes (NS) equations. With a variation of the modeling scales, theoretically there should have a continuous spectrum of fluid dynamic equations. Even though the Boltzmann equation is claimed to be valid in all scales, many Boltzmann solvers, including direct simulation Monte Carlo method, require the cell resolution to the order of particle mean free path scale. Therefore, they are still single scale methods. In order to study multiscale flow evolution efficiently, the dynamics in the computational fluid has to be changed with the scales. A direct modeling of flow physics with a changeable scale may become an appropriate approach. The unified gas-kinetic scheme (UGKS) is a direct modeling method in the mesh size scale, and its underlying flow physics depends on the resolution of the cell size relative to the particle mean free path. The cell size of UGKS is not limited by the particle mean free path. With the variation of the ratio between the numerical cell size and local particle mean free path, the UGKS recovers the flow dynamics from the particle transport and collision in the kinetic scale to the wave propagation in the hydrodynamic scale. The previous UGKS is mostly constructed from the evolution solution of kinetic model equations. Even though the UGKS is very accurate and effective in the low transition and continuum flow regimes with the time step being much larger than the particle mean free time, it still has space to develop more accurate flow solver in the region, where the time step is comparable with the local particle mean free time. In such a scale, there is dynamic difference from the full Boltzmann collision term and the model equations. This work is about the further development of the UGKS with the implementation of the full Boltzmann collision term in the region

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

    PubMed

    Holst, Michael; McCammon, James Andrew; Yu, Zeyun; Zhou, Youngcheng; Zhu, Yunrong

    2012-01-01

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

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

    PubMed Central

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

    2011-01-01

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

  6. Relaxation Phenomena of Binary Gas-Mixture with Sizable Difference in their Temperatures and Velocities on the basis of Boltzmann Equations

    SciTech Connect

    Yoshimura, Kazuyoshi; Kuwabara, Sinzi

    2011-05-20

    Relaxation phenomena in the binary gas-mixture with different temperature and different velocities are discussed on the basis of two Boltzmann equations. The Hermite expansion method, extended by H.Grad to multidimensional space, is applied to express distribution functions and the Galerkin method is used to solve two Boltzmann equations. Thus, a system of differential equations for the expansion coefficients is obtained. The time development of the system is calculated numerically.

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

    PubMed

    Sakalli, Ilkay; Knapp, Ernst-Walter

    2015-11-05

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

  8. Hard-thermal-loop corrections in leptogenesis II: solving the Boltzmann equations

    SciTech Connect

    Kießig, Clemens P.; Plümacher, Michael E-mail: pluemi@mpp.mpg.de

    2012-09-01

    We investigate hard-thermal-loop (HTL) corrections to the final lepton asymmetry in leptogenesis. To this end we solve the Boltzmann equations with HTL-corrected rates and CP asymmetries, which we calculated in paper I of this series. We pay special attention to the influence of the two leptonic quasiparticles that arise at non-zero temperature. We include only decays and inverse decays and allow for the lepton modes to be either decoupled from each other, or to be in chemical equilibrium by some strong interaction, simulating the interaction with gauge bosons. In two additional cases, we approximate the full HTL lepton propagators with zero-temperature propagators, where we replace the zero-temperature mass by the thermal mass of the leptons m{sub l}(T) or the asymptotic mass (2){sup 1/2} m{sub l}(T). We compare the final lepton asymmetries of the four thermal cases and the zero-temperature case for zero, thermal and dominant initial neutrino abundance. The final lepton asymmetries of the thermal cases differ considerably from the vacuum case and from each other in the weak washout regime for zero initial neutrino abundance and in the intermediate regime for dominant initial neutrino abundance. In the strong washout regime, the final lepton asymmetry can be enhanced by a factor of two in the case of strongly interacting lepton modes.

  9. New Techniques for Simulation of Ion Implantation by Numerical Integration of Boltzmann Transport Equation

    NASA Astrophysics Data System (ADS)

    Wang, Shyh-Wei; Guo, Shuang-Fa

    1998-01-01

    New techniques for more accurate and efficient simulation of ion implantations by a stepwise numerical integration of the Boltzmann transport equation (BTE) have been developed in this work. Instead of using uniform energy grid, a non-uniform grid is employed to construct the momentum distribution matrix. A more accurate simulation result is obtained for heavy ions implanted into silicon. In the same time, rather than utilizing the conventional Lindhard, Nielsen and Schoitt (LNS) approximation, an exact evaluation of the integrals involving the nuclear differential scattering cross-section (dσn=2πp dp) is proposed. The impact parameter p as a function of ion energy E and scattering angle φ is obtained by solving the magic formula iteratively and an interpolation techniques is devised during the simulation process. The simulation time using exact evaluation is about 3.5 times faster than that using the Littmark and Ziegler (LZ) spline fitted cross-section function for phosphorus implantation into silicon.

  10. Lattice Boltzmann method for convection-diffusion equations with general interfacial conditions.

    PubMed

    Hu, Zexi; Huang, Juntao; Yong, Wen-An

    2016-04-01

    In this work, we propose an interfacial scheme accompanying the lattice Boltzmann method for convection-diffusion equations with general interfacial conditions, including conjugate conditions with or without jumps in heat and mass transfer, continuity of macroscopic variables and normal fluxes in ion diffusion in porous media with different porosity, and the Kapitza resistance in heat transfer. The construction of this scheme is based on our boundary schemes [Huang and Yong, J. Comput. Phys. 300, 70 (2015)JCTPAH0021-999110.1016/j.jcp.2015.07.045] for Robin boundary conditions on straight or curved boundaries. It gives second-order accuracy for straight interfaces and first-order accuracy for curved ones. In addition, the new scheme inherits the advantage of the boundary schemes in which only the current lattice nodes are involved. Such an interfacial scheme is highly desirable for problems with complex geometries or in porous media. The interfacial scheme is numerically validated with several examples. The results show the utility of the constructed scheme and very well support our theoretical predications.

  11. Interface-capturing lattice Boltzmann equation model for two-phase flows

    NASA Astrophysics Data System (ADS)

    Lou, Qin; Guo, Zhaoli

    2015-01-01

    In this work, an interface-capturing lattice Boltzmann equation (LBE) model is proposed for two-phase flows. In the model, a Lax-Wendroff propagation scheme and a properly chosen equilibrium distribution function are employed. The Lax-Wendroff scheme is used to provide an adjustable Courant-Friedrichs-Lewy (CFL) number, and the equilibrium distribution is presented to remove the dependence of the relaxation time on the CFL number. As a result, the interface can be captured accurately by decreasing the CFL number. A theoretical expression is derived for the chemical potential gradient by solving the LBE directly for a two-phase system with a flat interface. The result shows that the gradient of the chemical potential is proportional to the square of the CFL number, which explains why the proposed model is able to capture the interface naturally with a small CFL number, and why large interface error exists in the standard LBE model. Numerical tests, including a one-dimensional flat interface problem, a two-dimensional circular droplet problem, and a three-dimensional spherical droplet problem, demonstrate that the proposed LBE model performs well and can capture a sharp interface with a suitable CFL number.

  12. Interface-capturing lattice Boltzmann equation model for two-phase flows.

    PubMed

    Lou, Qin; Guo, Zhaoli

    2015-01-01

    In this work, an interface-capturing lattice Boltzmann equation (LBE) model is proposed for two-phase flows. In the model, a Lax-Wendroff propagation scheme and a properly chosen equilibrium distribution function are employed. The Lax-Wendroff scheme is used to provide an adjustable Courant-Friedrichs-Lewy (CFL) number, and the equilibrium distribution is presented to remove the dependence of the relaxation time on the CFL number. As a result, the interface can be captured accurately by decreasing the CFL number. A theoretical expression is derived for the chemical potential gradient by solving the LBE directly for a two-phase system with a flat interface. The result shows that the gradient of the chemical potential is proportional to the square of the CFL number, which explains why the proposed model is able to capture the interface naturally with a small CFL number, and why large interface error exists in the standard LBE model. Numerical tests, including a one-dimensional flat interface problem, a two-dimensional circular droplet problem, and a three-dimensional spherical droplet problem, demonstrate that the proposed LBE model performs well and can capture a sharp interface with a suitable CFL number.

  13. High Order Finite Volume Nonlinear Schemes for the Boltzmann Transport Equation

    SciTech Connect

    Bihari, B L; Brown, P N

    2005-03-29

    The authors apply the nonlinear WENO (Weighted Essentially Nonoscillatory) scheme to the spatial discretization of the Boltzmann Transport Equation modeling linear particle transport. The method is a finite volume scheme which ensures not only conservation, but also provides for a more natural handling of boundary conditions, material properties and source terms, as well as an easier parallel implementation and post processing. It is nonlinear in the sense that the stencil depends on the solution at each time step or iteration level. By biasing the gradient calculation towards the stencil with smaller derivatives, the scheme eliminates the Gibb's phenomenon with oscillations of size O(1) and reduces them to O(h{sup r}), where h is the mesh size and r is the order of accuracy. The current implementation is three-dimensional, generalized for unequally spaced meshes, fully parallelized, and up to fifth order accurate (WENO5) in space. For unsteady problems, the resulting nonlinear spatial discretization yields a set of ODE's in time, which in turn is solved via high order implicit time-stepping with error control. For the steady-state case, they need to solve the non-linear system, typically by Newton-Krylov iterations. There are several numerical examples presented to demonstrate the accuracy, non-oscillatory nature and efficiency of these high order methods, in comparison with other fixed-stencil schemes.

  14. Lattice Boltzmann method for convection-diffusion equations with general interfacial conditions

    NASA Astrophysics Data System (ADS)

    Hu, Zexi; Huang, Juntao; Yong, Wen-An

    2016-04-01

    In this work, we propose an interfacial scheme accompanying the lattice Boltzmann method for convection-diffusion equations with general interfacial conditions, including conjugate conditions with or without jumps in heat and mass transfer, continuity of macroscopic variables and normal fluxes in ion diffusion in porous media with different porosity, and the Kapitza resistance in heat transfer. The construction of this scheme is based on our boundary schemes [Huang and Yong, J. Comput. Phys. 300, 70 (2015), 10.1016/j.jcp.2015.07.045] for Robin boundary conditions on straight or curved boundaries. It gives second-order accuracy for straight interfaces and first-order accuracy for curved ones. In addition, the new scheme inherits the advantage of the boundary schemes in which only the current lattice nodes are involved. Such an interfacial scheme is highly desirable for problems with complex geometries or in porous media. The interfacial scheme is numerically validated with several examples. The results show the utility of the constructed scheme and very well support our theoretical predications.

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

    PubMed Central

    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

  16. New insights into self-heating in double-gate transistors by solving Boltzmann transport equations

    SciTech Connect

    Thu Trang Nghiêm, T.; Saint-Martin, J.; Dollfus, P.

    2014-08-21

    Electro-thermal effects become one of the most critical issues for continuing the downscaling of electron devices. To study this problem, a new efficient self-consistent electron-phonon transport model has been developed. Our model of phonon Boltzmann transport equation (pBTE) includes the decay of optical phonons into acoustic modes and a generation term given by electron-Monte Carlo simulation. The solution of pBTE uses an analytic phonon dispersion and the relaxation time approximation for acoustic and optical phonons. This coupled simulation is applied to investigate the self-heating effects in a 20 nm-long double gate MOSFET. The temperature profile per mode and the comparison between Fourier temperature and the effective temperature are discussed. Some significant differences occur mainly in the hot spot region. It is shown that under the influence of self-heating effects, the potential profile is modified and both the drain current and the electron ballisticity are reduced because of enhanced electron-phonon scattering rates.

  17. Shrinkage of bubbles and drops in the lattice Boltzmann equation method for nonideal gases

    NASA Astrophysics Data System (ADS)

    Zheng, Lin; Lee, Taehun; Guo, Zhaoli; Rumschitzki, David

    2014-03-01

    One characteristic of multiphase lattice Boltzmann equation (LBE) methods is that the interfacial region has a finite (i.e., noninfinitesimal) thickness known as a diffuse interface. In simulations of, e.g., bubble or drop dynamics, for problems involving nonideal gases, one frequently observes that the diffuse interface method produces a spontaneous, nonphysical shrinkage of the bubble or drop radius. In this paper, we analyze in detail a single-fluid two-phase model and use a LBE model for nonideal gases in order to explain this fundamental problem. For simplicity, we only investigate the static bubble or droplet problem. We find that the method indeed produces a density shift, bubble or droplet shrinkage, as well as a critical radius below which the bubble or droplet eventually vanishes. Assuming that the ratio between the interface thickness D and the initial bubble or droplet radius r0 is small, we analytically show the existence of this density shift, bubble or droplet radius shrinkage, and critical bubble or droplet survival radius. Numerical results confirm our analysis. We also consider droplets on a solid surface with different curvatures, contact angles, and initial droplet volumes. Numerical results show that the curvature, contact angle, and the initial droplet volume have an effect on this spontaneous shrinkage process, consistent with the survival criterion.

  18. Microscopic description of quantum Lorentz gas and extension of the Boltzmann equation to entire space-time scale.

    PubMed

    Hashimoto, K; Kanki, K; Tanaka, S; Petrosky, T

    2016-02-01

    Irreversible processes of weakly coupled one-dimensional quantum perfect Lorentz gas are studied on the basis of the fundamental laws of physics in terms of the complex spectral analysis associated with the resonance state of the Liouville-von Neumann operator. Without any phenomenological operations, such as a coarse-graining of space-time, or a truncation of the higher order correlation, we obtained irreversible processes in a purely dynamical basis in all space and time scale including the microscopic atomic interaction range that is much smaller than the mean-free length. Based on this solution, a limitation of the usual phenomenological Boltzmann equation, as well as an extension of the Boltzmann equation to entire space-time scale, is discussed.

  19. Charged-particle transport in gases in electric and magnetic fields crossed at arbitrary angles: Multiterm solution of Boltzmann's equation.

    PubMed

    White, R D; Ness, K F; Robson, R E; Li, B

    1999-08-01

    A multiterm solution of the Boltzmann equation has been developed and used to calculate transport coefficients of charged-particle swarms in gases under the influence of electric and magnetic fields crossed at arbitrary angles psi. The hierarchy resulting from a spherical harmonic decomposition of the Boltzmann equation in the hydrodynamic regime [Ness, Phys. Rev. A 47, 327 (1993)] is solved numerically by representing the speed dependence of the phase-space distribution function in terms of an expansion in Sonine polynomials about a weighted sum of Maxwellian distributions at different temperatures. Results are given for charged-particle swarms in certain model gases over a range of psi and field strengths. The variation of the transport coefficients with psi is addressed using physical arguments. The errors associated with the two-term approximation and inadequacies of Legendre polynomial expansions are highlighted.

  20. A new splitting scheme to the discrete Boltzmann equation for non-ideal gases on non-uniform meshes

    NASA Astrophysics Data System (ADS)

    Patel, Saumil; Lee, Taehun

    2016-12-01

    We present a novel numerical procedure for solving the discrete Boltzmann equations (DBE) on non-uniform meshes. Our scheme is based on the Strang splitting method where we seek to investigate two-phase flow applications. In this note, we investigate the onset of parasitic currents which arise in many computational two-phase algorithms. To the best of our knowledge, the results presented in this work show, for the first time, a spectral element discontinuous Galerkin (SEDG) discretization of a discrete Boltzmann equation which successfully eliminates parasitic currents on non-uniform meshes. With the hope that this technique can be used for applications in complex geometries, calculations are performed on non-uniform mesh distributions by using high-order (spectral), body-fitting quadrilateral elements. Validation and verification of our work is carried out by comparing results against the classical 2D Young-Laplace law problem for a static drop.

  1. Boundary layers for the nonlinear discrete Boltzmann equation: Condensing vapor flow in the presence of a non-condensable gas

    NASA Astrophysics Data System (ADS)

    Bernhoff, N.

    2012-11-01

    Half-space problems for the Boltzmann equation are of great importance in the study of the asymptotic behavior of the solutions of boundary value problems of the Boltzmann equation for small Knudsen numbers. Half-space problems provide the boundary conditions for the fluid-dynamic-type equations and Knudsen-layer corrections to the solution of the fluid-dynamic-type equations in a neighborhood of the boundary. Here we consider a half-space problem of condensation for a pure vapor in the presence of a non-condensable gas by using discrete velocity models (DVMs) of the Boltzmann equation. The Boltzmann equation can be approximated by DVMs up to any order, and these DVMs can be applied for numerical methods, but also for mathematical studies to bring deeper understanding and new ideas. For one-dimensional half-space problems, the discrete Boltzmann equation (the general DVM) reduces to a system of ODEs. We obtain that the number of parameters to be specified in the boundary conditions depends on whether the condensing vapor flow is subsonic or supersonic. This behavior has earlier been found numerically. We want to stress that our results are valid for any finite number of velocities. This is an extension of known results for single-component gases (and for binary mixtures of two vapors) to the case when a non-condensable gas is present. The vapor is assumed to tend to an assigned Maxwellian, with a flow velocity towards the condensed phase, at infinity, while the non-condensable gas tends to zero at infinity. Steady condensation of the vapor takes place at the condensed phase, which is held at a constant temperature. We assume that the vapor is completely absorbed, that the non-condensable gas is diffusively reflected at the condensed phase, and that vapor molecules leaving the condensed phase are distributed according to a given distribution. The conditions, on the given distribution at the condensed phase, needed for the existence of a unique solution of the

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

    SciTech Connect

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

    2014-12-09

    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.

  3. SU-E-T-270: Diffusion Synthetic Acceleration for Linear Boltzmann Transport Equation

    SciTech Connect

    Chen, G; Hong, X; Gao, H

    2015-06-15

    Purpose: Linear Boltzmann transport equation (LBTE) is as accurate as the Monte Carlo method (MC) for dose calculation in photon/particle therapy (LBTE is a deterministic and Eulerian formulation and MC is a statistical and Lagrangian description). An advantage of LBTE is that numerous acceleration techniques can be utilized for acceleration. This work is to explore the acceleration of LBTE via diffusion synthetic acceleration (DSA). Methods: For simplicity, two-dimensional, steady-state, and within-group LBTE is considered with two angular dimensions and two spatial dimensions. The discrete ordinate method is developed for solving this integro-differential equation. The angular variables are discretized using a level-symmetric quadrature set on the unit sphere. The spatial variables are discretized on the structured grid based on the diamond scheme. The source-iteration method (SI) is used to solve the discretized system.Since SI is slow in optically thick and highly scattering regime. DSA is developed to accelerate SI. The motivation for DSA is that diffusion equation (DE) is a good approximation of LBTE in the above regime. However, DE is much cheaper than LBTE computationally since DE only involves spatial variables. Thus, in each DSA iteration, DSA adds to the SI step a computationally-negligible DE step, i.e., to first solve DE with the SI residual as source term, and then compensate the SI solution with DE solution. Results: DSA was benchmarked and compared with SI. The difference between two methods was within 0.12% which verifies the accuracy of DSA, while DSA demonstrated the great advantage in speed, e.g., the reduction of iteration number to 6% and 4% respectively for cases with 100 and 1,000 scattering-absorption ratio that commonly occur in clinical dose calculation. Conclusion: DSA has been developed as one of many possible means for accelerating the numerical solver of LBTE for dose calculation. The authors were partially supported by the NSFC

  4. Adsorption Neutralization Model and Floc Growth Kinetics Properties of Aluminum Coagulants Based on Sips and Boltzmann Equations.

    PubMed

    Wu, Zhen; Zhang, Xian; Zhou, Chunjiao; Pang, Jing-Lin; Zhang, Panyue

    2017-02-22

    Single-molecule aluminum salt AlCl3, medium polymerized polyaluminum chloride (PAC), and high polymerized polyaluminum chloride (HPAC) were prepared in a laboratory. The characteristics and coagulation properties of these prepared aluminum salts were investigated. The Langmuir, Freundlich, and Sips adsorption isotherms were first used to describe the adsorption neutralization process in coagulation, and the Boltzmann equation was used to fit the reaction kinetics of floc growth in flocculation. It was novel to find that the experimental data fitted well with the Sips and Boltzmann equation, and the significance of parameters in the equations was discussed simultaneously. Through the Sips equation, the adsorption neutralization reaction was proved to be spontaneous and the adsorption neutralization capacity was HPAC > PAC > AlCl3. Sips equation also indicated that the zeta potential of water samples would reach a limit with the increase of coagulant dosage, and the equilibrium zeta potential values were 30.25, 30.23, and 27.25 mV for AlCl3, PAC, and HPAC, respectively. The lower equilibrium zeta potential value of HPAC might be the reason why the water sample was not easy to achieve restabilization at a high coagulant dosage. Through the Boltzmann equation modeling, the maximum average floc size formed by AlCl3, PAC, and HPAC were 196.0, 188.0, and 203.6 μm, respectively, and the halfway time of reactions were 31.23, 17.08, and 9.55 min, respectively. The HPAC showed the strongest floc formation ability and the fastest floc growth rate in the flocculation process, which might be caused by the stronger adsorption and bridging functions of Alb and Alc contained in HPAC.

  5. Multigrid solution of the nonlinear Poisson-Boltzmann equation and calculation of titration curves.

    PubMed Central

    Oberoi, H; Allewell, N M

    1993-01-01

    Although knowledge of the pKa values and charge states of individual residues is critical to understanding the role of electrostatic effects in protein structure and function, calculating these quantities is challenging because of the sensitivity of these parameters to the position and distribution of charges. Values for many different proteins which agree well with experimental results have been obtained with modified Tanford-Kirkwood theory in which the protein is modeled as a sphere (reviewed in Ref. 1); however, convergence is more difficult to achieve with finite difference methods, in which the protein is mapped onto a grid and derivatives of the potential function are calculated as differences between the values of the function at grid points (reviewed in Ref. 6). Multigrid methods, in which the size of the grid is varied from fine to coarse in several cycles, decrease computational time, increase rates of convergence, and improve agreement with experiment. Both the accuracy and computational advantage of the multigrid approach increase with grid size, because the time required to achieve a solution increases slowly with grid size. We have implemented a multigrid procedure for solving the nonlinear Poisson-Boltzmann equation, and, using lysozyme as a test case, compared calculations for several crystal forms, different refinement procedures, and different charge assignment schemes. The root mean square difference between calculated and experimental pKa values for the crystal structure which yields best agreement with experiment (1LZT) is 1.1 pH units, with the differences in calculated and experimental pK values being less than 0.6 pH units for 16 out of 21 residues. The calculated titration curves of several residues are biphasic. Images FIGURE 8 PMID:8369451

  6. Collisionless stellar hydrodynamics as an efficient alternative to N-body methods

    NASA Astrophysics Data System (ADS)

    Mitchell, Nigel L.; Vorobyov, Eduard I.; Hensler, Gerhard

    2013-01-01

    The dominant constituents of the Universe's matter are believed to be collisionless in nature and thus their modelling in any self-consistent simulation is extremely important. For simulations that deal only with dark matter or stellar systems, the conventional N-body technique is fast, memory efficient and relatively simple to implement. However when extending simulations to include the effects of gas physics, mesh codes are at a distinct disadvantage compared to Smooth Particle Hydrodynamics (SPH) codes. Whereas implementing the N-body approach into SPH codes is fairly trivial, the particle-mesh technique used in mesh codes to couple collisionless stars and dark matter to the gas on the mesh has a series of significant scientific and technical limitations. These include spurious entropy generation resulting from discreteness effects, poor load balancing and increased communication overhead which spoil the excellent scaling in massively parallel grid codes. In this paper we propose the use of the collisionless Boltzmann moment equations as a means to model the collisionless material as a fluid on the mesh, implementing it into the massively parallel FLASH Adaptive Mesh Refinement (AMR) code. This approach which we term `collisionless stellar hydrodynamics' enables us to do away with the particle-mesh approach and since the parallelization scheme is identical to that used for the hydrodynamics, it preserves the excellent scaling of the FLASH code already demonstrated on peta-flop machines. We find that the classic hydrodynamic equations and the Boltzmann moment equations can be reconciled under specific conditions, allowing us to generate analytic solutions for collisionless systems using conventional test problems. We confirm the validity of our approach using a suite of demanding test problems, including the use of a modified Sod shock test. By deriving the relevant eigenvalues and eigenvectors of the Boltzmann moment equations, we are able to use high order

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

    PubMed

    Xie, Yang; Ying, Jinyong; Xie, Dexuan

    2017-03-30

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

  8. A lattice-Boltzmann scheme of the Navier-Stokes equations on a 3D cuboid lattice

    NASA Astrophysics Data System (ADS)

    Min, Haoda; Peng, Cheng; Wang, Lian-Ping

    2015-11-01

    The standard lattice-Boltzmann method (LBM) for fluid flow simulation is based on a square (in 2D) or cubic (in 3D) lattice grids. Recently, two new lattice Boltzmann schemes have been developed on a 2D rectangular grid using the MRT (multiple-relaxation-time) collision model, by adding a free parameter in the definition of moments or by extending the equilibrium moments. Here we developed a lattice Boltzmann model on 3D cuboid lattice, namely, a lattice grid with different grid lengths in different spatial directions. We designed our MRT-LBM model by matching the moment equations from the Chapman-Enskog expansion with the Navier-Stokes equations. The model guarantees correct hydrodynamics. A second-order term is added to the equilibrium moments in order to restore the isotropy of viscosity on a cuboid lattice. The form and the coefficients of the extended equilibrium moments are determined through an inverse design process. An additional benefit of the model is that the viscosity can be adjusted independent of the stress-moment relaxation parameter, thus improving the numerical stability of the model. The resulting cuboid MRT-LBM model is then validated through benchmark simulations using laminar channel flow, turbulent channel flow, and the 3D Taylor-Green vortex flow.

  9. Evaluation of an analytic linear Boltzmann transport equation solver for high-density inhomogeneities

    SciTech Connect

    Lloyd, S. A. M.; Ansbacher, W.

    2013-01-15

    Purpose: Acuros external beam (Acuros XB) is a novel dose calculation algorithm implemented through the ECLIPSE treatment planning system. The algorithm finds a deterministic solution to the linear Boltzmann transport equation, the same equation commonly solved stochastically by Monte Carlo methods. This work is an evaluation of Acuros XB, by comparison with Monte Carlo, for dose calculation applications involving high-density materials. Existing non-Monte Carlo clinical dose calculation algorithms, such as the analytic anisotropic algorithm (AAA), do not accurately model dose perturbations due to increased electron scatter within high-density volumes. Methods: Acuros XB, AAA, and EGSnrc based Monte Carlo are used to calculate dose distributions from 18 MV and 6 MV photon beams delivered to a cubic water phantom containing a rectangular high density (4.0-8.0 g/cm{sup 3}) volume at its center. The algorithms are also used to recalculate a clinical prostate treatment plan involving a unilateral hip prosthesis, originally evaluated using AAA. These results are compared graphically and numerically using gamma-index analysis. Radio-chromic film measurements are presented to augment Monte Carlo and Acuros XB dose perturbation data. Results: Using a 2% and 1 mm gamma-analysis, between 91.3% and 96.8% of Acuros XB dose voxels containing greater than 50% the normalized dose were in agreement with Monte Carlo data for virtual phantoms involving 18 MV and 6 MV photons, stainless steel and titanium alloy implants and for on-axis and oblique field delivery. A similar gamma-analysis of AAA against Monte Carlo data showed between 80.8% and 87.3% agreement. Comparing Acuros XB and AAA evaluations of a clinical prostate patient plan involving a unilateral hip prosthesis, Acuros XB showed good overall agreement with Monte Carlo while AAA underestimated dose on the upstream medial surface of the prosthesis due to electron scatter from the high-density material. Film measurements

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Conjugate heat and mass transfer in the lattice Boltzmann equation method

    SciTech Connect

    Li, LK; Chen, C; Mei, RW; Klausner, JF

    2014-04-22

    An interface treatment for conjugate heat and mass transfer in the lattice Boltzmann equation method is proposed based on our previously proposed second-order accurate Dirichlet and Neumann boundary schemes. The continuity of temperature (concentration) and its flux at the interface for heat (mass) transfer is intrinsically satisfied without iterative computations, and the interfacial temperature (concentration) and their fluxes are conveniently obtained from the microscopic distribution functions without finite-difference calculations. The present treatment takes into account the local geometry of the interface so that it can be directly applied to curved interface problems such as conjugate heat and mass transfer in porous media. For straight interfaces or curved interfaces with no tangential gradient, the coupling between the interfacial fluxes along the discrete lattice velocity directions is eliminated and thus the proposed interface schemes can be greatly simplified. Several numerical tests are conducted to verify the applicability and accuracy of the proposed conjugate interface treatment, including (i) steady convection-diffusion in a channel containing two different fluids, (ii) unsteady convection-diffusion in the channel, (iii) steady heat conduction inside a circular domain with two different solid materials, and (iv) unsteady mass transfer from a spherical droplet in an extensional creeping flow. The accuracy and order of convergence of the simulated interior temperature (concentration) field, the interfacial temperature (concentration), and heat (mass) flux are examined in detail and compared with those obtained from the "half-lattice division" treatment in the literature. The present analysis and numerical results show that the half-lattice division scheme is second-order accurate only when the interface is fixed at the center of the lattice links, while the present treatment preserves second-order accuracy for arbitrary link fractions. For curved

  12. Conjugate heat and mass transfer in the lattice Boltzmann equation method.

    PubMed

    Li, Like; Chen, Chen; Mei, Renwei; Klausner, James F

    2014-04-01

    An interface treatment for conjugate heat and mass transfer in the lattice Boltzmann equation method is proposed based on our previously proposed second-order accurate Dirichlet and Neumann boundary schemes. The continuity of temperature (concentration) and its flux at the interface for heat (mass) transfer is intrinsically satisfied without iterative computations, and the interfacial temperature (concentration) and their fluxes are conveniently obtained from the microscopic distribution functions without finite-difference calculations. The present treatment takes into account the local geometry of the interface so that it can be directly applied to curved interface problems such as conjugate heat and mass transfer in porous media. For straight interfaces or curved interfaces with no tangential gradient, the coupling between the interfacial fluxes along the discrete lattice velocity directions is eliminated and thus the proposed interface schemes can be greatly simplified. Several numerical tests are conducted to verify the applicability and accuracy of the proposed conjugate interface treatment, including (i) steady convection-diffusion in a channel containing two different fluids, (ii) unsteady convection-diffusion in the channel, (iii) steady heat conduction inside a circular domain with two different solid materials, and (iv) unsteady mass transfer from a spherical droplet in an extensional creeping flow. The accuracy and order of convergence of the simulated interior temperature (concentration) field, the interfacial temperature (concentration), and heat (mass) flux are examined in detail and compared with those obtained from the "half-lattice division" treatment in the literature. The present analysis and numerical results show that the half-lattice division scheme is second-order accurate only when the interface is fixed at the center of the lattice links, while the present treatment preserves second-order accuracy for arbitrary link fractions. For curved

  13. Performance comparison of Si, III–V double-gate n-type MOSFETs by deterministic Boltzmann transport equation solver

    NASA Astrophysics Data System (ADS)

    Di, Shaoyan; Shen, Lei; Chang, Pengying; Zhao, Kai; Lu, Tiao; Du, Gang; Liu, Xiaoyan

    2017-04-01

    A deterministic time-dependent Boltzmann transport equation (BTE) solver is employed to carry out a comparison work among 10 nm double-gate n-type MOSFETs with channel materials of Si, In0.53Ga0.47As, and GaSb in different surface orientations. Results show that the GaSb device has the highest drive current, while scattering affects carrier transport in the Si device the most. The InGaAs device exhibits the highest injection velocity but suffers from the density of state (DOS) bottleneck seriously.

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

    NASA Astrophysics Data System (ADS)

    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

  15. AdS/CFT connection between Boltzmann and Einstein equations: Kinetic theory and pure gravity in AdS space

    SciTech Connect

    Iyer, Ramakrishnan; Mukhopadhyay, Ayan

    2010-04-15

    The AdS/CFT correspondence defines a sector with universal strongly coupled dynamics in the field theory as the dual of pure gravity in AdS described by Einstein's equation with a negative cosmological constant. We explain here, from the field-theoretic viewpoint how the dynamics in this sector gets determined by the expectation value of the energy-momentum tensor alone. We first show that the Boltzmann equation has very special solutions which could be functionally completely determined in terms of the energy-momentum tensor alone. We call these solutions conservative solutions. We indicate why conservative solutions should also exist when we refine this kinetic description to go closer to the exact microscopic theory or even move away from the regime of weak coupling so that no kinetic description could be employed. We argue that these conservative solutions form the universal sector dual to pure gravity at strong coupling and large N. Based on this observation, we propose a regularity condition on the energy-momentum tensor so that the dual solution in pure gravity has a smooth future horizon. We also study if irreversibility emerges only at long time scales of observation, unlike the case of the Boltzmann equation.

  16. Perfect fluidity of a dissipative system: Analytical solution for the Boltzmann equation in AdS2 Ⓧ S2

    DOE PAGES

    Noronha, Jorge; Denicol, Gabriel S.

    2015-12-30

    In this paper we obtain an analytical solution of the relativistic Boltzmann equation under the relaxation time approximation that describes the out-of-equilibrium dynamics of a radially expanding massless gas. This solution is found by mapping this expanding system in flat spacetime to a static flow in the curved spacetime AdS2 Ⓧ S2. We further derive explicit analytic expressions for the momentum dependence of the single-particle distribution function as well as for the spatial dependence of its moments. We find that this dissipative system has the ability to flow as a perfect fluid even though its entropy density does not matchmore » the equilibrium form. The nonequilibrium contribution to the entropy density is shown to be due to higher-order scalar moments (which possess no hydrodynamical interpretation) of the Boltzmann equation that can remain out of equilibrium but do not couple to the energy-momentum tensor of the system. Furthermore, in this system the slowly moving hydrodynamic degrees of freedom can exhibit true perfect fluidity while being totally decoupled from the fast moving, nonhydrodynamical microscopic degrees of freedom that lead to entropy production.« less

  17. Hybrid discrete ordinates and characteristics method for solving the linear Boltzmann equation

    NASA Astrophysics Data System (ADS)

    Yi, Ce

    With the ability of computer hardware and software increasing rapidly, deterministic methods to solve the linear Boltzmann equation (LBE) have attracted some attention for computational applications in both the nuclear engineering and medical physics fields. Among various deterministic methods, the discrete ordinates method (SN) and the method of characteristics (MOC) are two of the most widely used methods. The SN method is the traditional approach to solve the LBE for its stability and efficiency. While the MOC has some advantages in treating complicated geometries. However, in 3-D problems requiring a dense discretization grid in phase space (i.e., a large number of spatial meshes, directions, or energy groups), both methods could suffer from the need for large amounts of memory and computation time. In our study, we developed a new hybrid algorithm by combing the two methods into one code, TITAN. The hybrid approach is specifically designed for application to problems containing low scattering regions. A new serial 3-D time-independent transport code has been developed. Under the hybrid approach, the preferred method can be applied in different regions (blocks) within the same problem model. Since the characteristics method is numerically more efficient in low scattering media, the hybrid approach uses a block-oriented characteristics solver in low scattering regions, and a block-oriented SN solver in the remainder of the physical model. In the TITAN code, a physical problem model is divided into a number of coarse meshes (blocks) in Cartesian geometry. Either the characteristics solver or the SN solver can be chosen to solve the LBE within a coarse mesh. A coarse mesh can be filled with fine meshes or characteristic rays depending on the solver assigned to the coarse mesh. Furthermore, with its object-oriented programming paradigm and layered code structure, TITAN allows different individual spatial meshing schemes and angular quadrature sets for each coarse

  18. Boltzmann equation modelling of Learning Dynamics. Comment on "Collective learning modeling based on the kinetic theory of active particles" by D. Burini et al.

    NASA Astrophysics Data System (ADS)

    Shizgal, Bernie

    2016-03-01

    The paper by Burini et al. [7] presents an interesting use of the Boltzmann equation of kinetic theory to model real learning processes. The authors provide a comprehensive discussion of the basic concepts involved in their modelling work. The Boltzmann equation as used by physicists and chemists to model a variety of transport processes in many diverse fields is based on the notion of the binary collisions between identifiable particles in the defined system [9]. The particles exchange energy on collision and the distribution function, which depends on the three velocity components and the three spatial coordinates, varies with time. The classical or quantum collision dynamics between particles play a central role in the definition of the kernels in the integral operators that define the Boltzmann equation [8].

  19. Inter-comparison of calculation techniques of the electron Boltzmann equation for the analysis of swarm parameters in CO2

    NASA Astrophysics Data System (ADS)

    Grofulović, M.; Pinhão, N.; Alves, Ll; Guerra, V.; Loffhagen, D.; Korolov, I.; Vass, M.; Donkó, Z.

    2016-09-01

    The plasma-based CO2 conversion is a promising route for achieving the reduction of fossil fuel consumption and of CO2 emission. An accurate description of the electron kinetics by solving the electron Boltzmann equation (EBE) is necessary for this application. This work is dedicated to the inter-comparison between various calculation techniques of the EBE (two-term, multi-term and space gradients of the electron density) and the Monte-Carlo reference technique for the analysis of swarm parameters and their comparison with previously available and present experimental data. We adopt the complete set of electron-impact cross sections for CO2, to be published on the IST-LISBON database with LXCat. Results show that despite the fact that the IST-LISBON cross sections were derived to fit measured swarm parameters when used in a two-term expansion Boltzmann code, good agreement with the other solution and simulation techniques is generally obtained for the electron swarm parameters under consideration. Work partially supported by grant OTKA-K-105476 and by Portuguese FCT, under project UID/FIS/50010/2013 and grant PD/BD/105884/2014 (PD-F APPLAuSE).

  20. Local membrane length conservation in two-dimensional vesicle simulation using a multicomponent lattice Boltzmann equation method.

    PubMed

    Halliday, I; Lishchuk, S V; Spencer, T J; Pontrelli, G; Evans, P C

    2016-08-01

    We present a method for applying a class of velocity-dependent forces within a multicomponent lattice Boltzmann equation simulation that is designed to recover continuum regime incompressible hydrodynamics. This method is applied to the problem, in two dimensions, of constraining to uniformity the tangential velocity of a vesicle membrane implemented within a recent multicomponent lattice Boltzmann simulation method, which avoids the use of Lagrangian boundary tracers. The constraint of uniform tangential velocity is carried by an additional contribution to an immersed boundary force, which we derive here from physical arguments. The result of this enhanced immersed boundary force is to apply a physically appropriate boundary condition at the interface between separated lattice fluids, defined as that region over which the phase-field varies most rapidly. Data from this enhanced vesicle boundary method are in agreement with other data obtained using related methods [e.g., T. Krüger, S. Frijters, F. Günther, B. Kaoui, and J. Harting, Eur. Phys. J. 222, 177 (2013)10.1140/epjst/e2013-01834-y] and underscore the importance of a correct vesicle membrane condition.

  1. Local membrane length conservation in two-dimensional vesicle simulation using a multicomponent lattice Boltzmann equation method

    NASA Astrophysics Data System (ADS)

    Halliday, I.; Lishchuk, S. V.; Spencer, T. J.; Pontrelli, G.; Evans, P. C.

    2016-08-01

    We present a method for applying a class of velocity-dependent forces within a multicomponent lattice Boltzmann equation simulation that is designed to recover continuum regime incompressible hydrodynamics. This method is applied to the problem, in two dimensions, of constraining to uniformity the tangential velocity of a vesicle membrane implemented within a recent multicomponent lattice Boltzmann simulation method, which avoids the use of Lagrangian boundary tracers. The constraint of uniform tangential velocity is carried by an additional contribution to an immersed boundary force, which we derive here from physical arguments. The result of this enhanced immersed boundary force is to apply a physically appropriate boundary condition at the interface between separated lattice fluids, defined as that region over which the phase-field varies most rapidly. Data from this enhanced vesicle boundary method are in agreement with other data obtained using related methods [e.g., T. Krüger, S. Frijters, F. Günther, B. Kaoui, and J. Harting, Eur. Phys. J. 222, 177 (2013), 10.1140/epjst/e2013-01834-y] and underscore the importance of a correct vesicle membrane condition.

  2. Stable discretization of the Boltzmann equation based on spherical harmonics, box integration, and a maximum entropy dissipation principle

    NASA Astrophysics Data System (ADS)

    Jungemann, C.; Pham, A. T.; Meinerzhagen, B.; Ringhofer, C.; Bollhöfer, M.

    2006-07-01

    The Boltzmann equation for transport in semiconductors is projected onto spherical harmonics in such a way that the resultant balance equations for the coefficients of the distribution function times the generalized density of states can be discretized over energy and real spaces by box integration. This ensures exact current continuity for the discrete equations. Spurious oscillations of the distribution function are suppressed by stabilization based on a maximum entropy dissipation principle avoiding the H transformation. The derived formulation can be used on arbitrary grids as long as box integration is possible. The approach works not only with analytical bands but also with full band structures in the case of holes. Results are presented for holes in bulk silicon based on a full band structure and electrons in a Si NPN bipolar junction transistor. The convergence of the spherical harmonics expansion is shown for a device, and it is found that the quasiballistic transport in nanoscale devices requires an expansion of considerably higher order than the usual first one. The stability of the discretization is demonstrated for a range of grid spacings in the real space and bias points which produce huge gradients in the electron density and electric field. It is shown that the resultant large linear system of equations can be solved in a memory efficient way by the numerically robust package ILUPACK.

  3. Boundary condition at a two-phase interface in the lattice Boltzmann method for the convection-diffusion equation.

    PubMed

    Yoshida, Hiroaki; Kobayashi, Takayuki; Hayashi, Hidemitsu; Kinjo, Tomoyuki; Washizu, Hitoshi; Fukuzawa, Kenji

    2014-07-01

    A boundary scheme in the lattice Boltzmann method (LBM) for the convection-diffusion equation, which correctly realizes the internal boundary condition at the interface between two phases with different transport properties, is presented. The difficulty in satisfying the continuity of flux at the interface in a transient analysis, which is inherent in the conventional LBM, is overcome by modifying the collision operator and the streaming process of the LBM. An asymptotic analysis of the scheme is carried out in order to clarify the role played by the adjustable parameters involved in the scheme. As a result, the internal boundary condition is shown to be satisfied with second-order accuracy with respect to the lattice interval, if we assign appropriate values to the adjustable parameters. In addition, two specific problems are numerically analyzed, and comparison with the analytical solutions of the problems numerically validates the proposed scheme.

  4. The Numerical Solution of the Nonlinear Poisson-Boltzmann Equation Under the Anisotropic Boundary Condition for Colloidal Plasmas

    NASA Astrophysics Data System (ADS)

    Cai, Huanqing; Ye, Qizheng

    2010-04-01

    Based on the model of the Wigner-Seitz cell, the surface potential of the spherical macroparticle (radius a) expands in terms of the monopole (q). A dipole (p) model is assumed for an anisotropic boundary condition of the nonlinear Poisson-Boltzmann equation. Using the finite element method implemented by the FlexPDE software, the potential distribution around the macroparticle is obtained for different ratios p/qa. The calculated results for the potential show that there is an attractive region in the vicinity of the macroparticle when |p/qa|>1.1, and noticeably there is a potential well behind the macroparticle when |p/qa| = 1.1, i.e., there exists both an attractive region and a repulsive region simultaneously. This means that the attractive interaction between macroparticles may arise from the anisotropic distribution of the surrounding plasmas, which well explains some experimental observations.

  5. Using pseudo transient continuation and the finite element method to solve the nonlinear Poisson-Boltzmann equation

    SciTech Connect

    Shestakov, A I; Milovich, J L; Noy, A

    2000-12-27

    The nonlinear Poisson-Boltzmann (PB) equation is solved using Pseudo Transient Continuation. The PB solver is constructed by modifying the nonlinear diffusion module of a 3D, massively parallel, unstructured-grid, finite element, radiation-hydrodynamics code. The solver also computes the electrostatic energy and evaluates the force on a user-specified contour. Either Dirichlet or mixed boundary conditions are allowed. The latter specifies surface charges, approximates far-field conditions, or linearizes conditions ''regulating'' the surface charge. The code may be run in either Cartesian, cylindrical, or spherical coordinates. The potential and force due to a conical probe interacting with a flat plate is computed and the result compared with direct force measurements by chemical force microscopy.

  6. Time evolution of plasmas using the exact solution of the Boltzmann equation in the presence of an intense laser field

    NASA Astrophysics Data System (ADS)

    Rashid, Shahid

    1990-07-01

    The kinematically based concept of quasi-free electron states developed by Rashid (1988) is extended to obtain a coupling/decoupling technique capable of separating dynamical and kinematical factors. This method is then applied to a reduced form of the Boltzmann equation (assuming that the electrons are in quantum states with quasi-four-momentum, as in an intense laser field). The solution obtained is applicable to the relativistic case and consists of the product of (1) the initial distribution function and (2) a time-evolving part dependent on the differential cross section of the plasma-heating scattering process. The significance of the present analysis for laser-fusion studies is briefly indicated.

  7. Global well-posedness for the Fokker-Planck-Boltzmann equation in Besov-Chemin-Lerner type spaces

    NASA Astrophysics Data System (ADS)

    Liu, Zhengrong; Tang, Hao

    2016-06-01

    In this paper, motivated by [16], we use the Littlewood-Paley theory to establish some estimates on the nonlinear collision term, which enable us to investigate the Cauchy problem of the Fokker-Planck-Boltzmann equation. When the initial data is a small perturbation of the Maxwellian equilibrium state, under the Grad's angular cutoff assumption, the unique global solution for the hard potential case is obtained in the Besov-Chemin-Lerner type spaces C ([ 0 , ∞) ; L˜ξ 2 (B2,rs)) with 1 ≤ r ≤ 2 and s > 3 / 2 or s = 3 / 2 and r = 1. Besides, we also obtain the uniform stability of the dependence on the initial data.

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

    SciTech Connect

    Hong, X; Gao, H; Paganetti, H

    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

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

    NASA Astrophysics Data System (ADS)

    Khisamutdinov, A. I.; Velker, N. N.

    2014-05-01

    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 Kn of order unity "imitation", or "continuous time", Monte Carlo methods ([2]) are quite adequate and competitive. However if Kn <= 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 main of talk is parallelization of the imitation algorithms with

  10. Stable Equilibrium Based on Lévy Statistics:A Linear Boltzmann Equation Approach

    NASA Astrophysics Data System (ADS)

    Barkai, Eli

    2004-06-01

    To obtain further insight on possible power law generalizations of Boltzmann equilibrium concepts, we consider stochastic collision models. The models are a generalization of the Rayleigh collision model, for a heavy one dimensional particle M interacting with ideal gas particles with a mass m<< M. Similar to previous approaches we assume elastic, uncorrelated, and impulsive collisions. We let the bath particle velocity distribution function to be of general form, namely we do not postulate a specific form of power-law equilibrium. We show, under certain conditions, that the velocity distribution function of the heavy particle is Lévy stable, the Maxwellian distribution being a special case. We demonstrate our results with numerical examples. The relation of the power law equilibrium obtained here to thermodynamics is discussed. In particular we compare between two models: a thermodynamic and an energy scaling approaches. These models yield insight into questions like the meaning of temperature for power law equilibrium, and into the issue of the universality of the equilibrium (i.e., is the width of the generalized Maxwellian distribution functions obtained here, independent of coupling constant to the bath).

  11. Solvability of a nonlinear model Boltzmann equation in the problem of a plane shock wave

    NASA Astrophysics Data System (ADS)

    Khachatryan, A. Kh.; Khachatryan, Kh. A.

    2016-11-01

    We consider a nonlinear system of integral equations describing the structure of a plane shock wave. Based on physical reasoning, we propose an iterative method for constructing an approximate solution of this system. The problem reduces to studying decoupled scalar nonlinear and linear integral equations for the gas temperature, density, and velocity. We formulate a theorem on the existence of a positive bounded solution of a nonlinear equation of the Uryson type. We also prove theorems on the existence and uniqueness of bounded positive solutions for linear integral equations in the space L 1[-r, r] for all finite r < +∞. For a more general nonlinear integral equation, we prove a theorem on the existence of a positive solution and also find a lower bound and an integral upper bound for the constructed solution.

  12. On the Derivation of a High-Velocity Tail from the Boltzmann-Fokker-Planck Equation for Shear Flow

    NASA Astrophysics Data System (ADS)

    Acedo, L.; Santos, A.; Bobylev, A. V.

    2002-12-01

    Uniform shear flow is a paradigmatic example of a nonequilibrium fluid state exhibiting non-Newtonian behavior. It is characterized by uniform density and temperature and a linear velocity profile U x ( y)= ay, where a is the constant shear rate. In the case of a rarefied gas, all the relevant physical information is represented by the one-particle velocity distribution function f( r, v)= f( V), with V≡ v- U( r), which satisfies the standard nonlinear integro-differential Boltzmann equation. We have studied this state for a two-dimensional gas of Maxwell molecules with a collision rate K( θ)∝lim ∈→0 ∈ -2 δ( θ- ∈), where θ is the scattering angle, in which case the nonlinear Boltzmann collision operator reduces to a Fokker-Planck operator. We have found analytically that for shear rates larger than a certain threshold value a th≃0.3520 ν (where ν is an average collision frequency and a th/ ν is the real root of the cubic equation 64 x 3+16 x 2+12 x-9=0) the velocity distribution function exhibits an algebraic high-velocity tail of the form f( V; a)˜| V|-4- σ( a) Φ( ϕ; a), where ϕ≡tan V y / V x and the angular distribution function Φ( ϕ; a) is the solution of a modified Mathieu equation. The enforcement of the periodicity condition Φ( ϕ; a)= Φ( ϕ+ π; a) allows one to obtain the exponent σ( a) as a function of the shear rate. It diverges when a→ a th and tends to a minimum value σ min≃1.252 in the limit a→∞. As a consequence of this power-law decay for a> a th, all the velocity moments of a degree equal to or larger than 2+ σ( a) are divergent. In the high-velocity domain the velocity distribution is highly anisotropic, with the angular distribution sharply concentrated around a preferred orientation angle ~ϕ( a), which rotates from ~ϕ=- π/4,3 π/4 when a→ a th to ~ϕ=0, π in the limit a→∞.

  13. Nonequilibrium scheme for computing the flux of the convection-diffusion equation in the framework of the lattice Boltzmann method.

    PubMed

    Chai, Zhenhua; Zhao, T S

    2014-07-01

    In this paper, we propose a local nonequilibrium scheme for computing the flux of the convection-diffusion equation with a source term in the framework of the multiple-relaxation-time (MRT) lattice Boltzmann method (LBM). Both the Chapman-Enskog analysis and the numerical results show that, at the diffusive scaling, the present nonequilibrium scheme has a second-order convergence rate in space. A comparison between the nonequilibrium scheme and the conventional second-order central-difference scheme indicates that, although both schemes have a second-order convergence rate in space, the present nonequilibrium scheme is more accurate than the central-difference scheme. In addition, the flux computation rendered by the present scheme also preserves the parallel computation feature of the LBM, making the scheme more efficient than conventional finite-difference schemes in the study of large-scale problems. Finally, a comparison between the single-relaxation-time model and the MRT model is also conducted, and the results show that the MRT model is more accurate than the single-relaxation-time model, both in solving the convection-diffusion equation and in computing the flux.

  14. Simulation of the consistent Boltzmann equation for hard spheres and its extension to higher densities

    SciTech Connect

    Alexander, F.J.; Garcia, A.L.; Alder, B.J.

    1994-10-01

    The direct simulation Monte Carlo method is modified with a post-collision displacement in order to obtain the hard sphere equation of state. This leads to consistent thermodynamic and transport properties in the low density regime. At higher densities, when the enhanced collision rate according to kinetic theory is introduced, the exact hard sphere equation of state is recovered. and the transport coefficients are comparable to those of the Enskog theory. The computational advantages of this scheme over hard sphere molecular dynamics are that it is significantly faster at low and moderate densities and that it is readily parallelizable.

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

    SciTech Connect

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

    2015-02-15

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

  16. Fluid dynamic description of flocking via the Povzner-Boltzmann equation

    NASA Astrophysics Data System (ADS)

    Fornasier, Massimo; Haskovec, Jan; Toscani, Giuseppe

    2011-01-01

    We introduce and discuss the possible dynamics of groups of indistinguishable agents, which are interacting according to their relative positions, with the aim of deriving hydrodynamic equations. These models are developed to mimic the collective motion of groups of species such as bird flocks, fish schools, herds of quadrupeds or bacteria colonies. Our starting model for these interactions is the Povzner equation [21], which describes a dilute gas in which binary collisions of elastic spheres depend on their relative positions. Following the Cucker and Smale model [9], we will consider binary interactions between agents that are dissipative collisions in which the coefficient of restitution depends on their relative distance. Under the assumption of weak dissipation, it is shown that the Povzner equation is modified through a correction in the form of a nonlinear friction type operator. Using this correction, we formally obtain from the Povzner equation in a direct way a fluid dynamic description of a system of agents with weak dissipative interactions, with a coefficient of restitution that depends on their relative distance.

  17. Proton dose approximation in arbitrary convex geometry. [via Boltzmann transport equation

    NASA Technical Reports Server (NTRS)

    Wilson, J. W.; Khandelwal, G. S.

    1974-01-01

    An expansion is derived for the solution to the transport equation in two dimensions subject to boundary conditions given for an arbitrary convex region. Questions of high-energy transport are considered along with the properties of the dose response function. The expansion of the solution of the transport equation is presented in terms of a parameter which measures the lateral dispersion of an unidirectional beam. This parameter is usually small and the expansion is expected to converge rapidly. The dominant term in the expansion is related to fluence-to-dose conversion factors in a semiinfinite slab for normal incidence. A convenient parameterization of the conversion factors is provided along with numerical examples.

  18. Sixteen-moment approximation for a collisionless space plasma: Waves and instabilities

    SciTech Connect

    Kuznetsov, V. D.; Dzhalilov, N. S.

    2009-11-15

    A study is carried out of waves and instabilities in an anisotropic collisionless plasma. In a strongly magnetized plasma, the velocity distributions along and across the magnetic field lines are different, which results in anisotropy of the total pressure and gives rise to an anisotropic heat flux. The fluid description of the plasma is based on the 16-moment integral transport equations, which are integral equations obtained from the Boltzmann-Vlasov kinetic equation. For small incompressible perturbations in a homogeneous plasma, the general dispersion relation implies that there are not only firehose modes, but also three additional modes, and that all four wave modes interact with each other if a heat flux is present. Heat fluxes do not change the properties of conventional firehose modes. The conditions for the onset of instabilities are investigated as functions of the parameters of the problems. Qualitative estimates for conditions typical of the solar corona are presented.

  19. Thermal Investigation of Common 2d FETs and New Generation of 3d FETs Using Boltzmann Transport Equation in Nanoscale

    NASA Astrophysics Data System (ADS)

    Samian, R. S.; Abbassi, A.; Ghazanfarian, J.

    2013-09-01

    The thermal performance of two-dimensional (2D) field-effect transistors (FET) is investigated frequently by solving the Fourier heat diffusion law and the Boltzmann transport equation (BTE). With the introduction of the new generation of 3D FETs in which their thickness is less than the phonon mean-free-path it is necessary to carefully simulate the thermal performance of such devices. This paper numerically integrates the BTE in common 2D transistors including planar single layer and Silicon-On-Insulator (SOI) transistor, and the new generation of 3D transistors including FinFET and Tri-Gate devices. In order to decrease the directional dependency of results in 3D simulations; the Legendre equal-weight (PN-EW) quadrature set has been employed. It is found that if similar switching time is assumed for 3D and 2D FETs while the new generation of 3D FETs has less net energy consumption, they have higher hot-spot temperature. The results show continuous heat flux distribution normal to the silicon/oxide interface while the temperature jump is seen at the interface in double layer transistors.

  20. Exact steady-state solution of the Boltzmann equation: A driven one-dimensional inelastic Maxwell gas

    NASA Astrophysics Data System (ADS)

    Santos, A.; Ernst, M.

    2003-07-01

    The exact nonequilibrium steady-state solution of the nonlinear Boltzmann equation for a driven inelastic Maxwell model was obtained by Ben-Naim and Krapivsky [Phys. Rev. E 61, R5 (2000)] in the form of an infinite product for the Fourier transform of distribution function f(c). In this paper we have inverted the Fourier transform to express f(c) in the form of an infinite series of exponentially decaying terms. The dominant high-energy tail is exponential, f(c)≃A0 exp(-a|c|), where a≡2/(1-α2) and amplitude A0 is given in terms of a converging sum. This is explicitly shown in the totally inelastic limit (α→0) and in the quasielastic limit (α→1). In the latter case, the distribution is dominated by a Maxwellian for a very wide range of velocities, but a crossover from a Maxwellian to an exponential high-energy tail exists for velocities |c-c0|˜1/(q) around a crossover velocity c0≃ln q-1/(q), where q≡(1-α)/2≪1. In this crossover region the distribution function is extremely small, ln f(c0)≃q-1 ln q.

  1. Semi-analytical solution to the frequency-dependent Boltzmann transport equation for cross-plane heat conduction in thin films

    SciTech Connect

    Hua, Chengyun; Minnich, Austin J.

    2015-05-07

    Cross-plane heat transport in thin films with thicknesses comparable to the phonon mean free paths is of both fundamental and practical interest for applications such as light-emitting diodes and quantum well lasers. However, physical insight is difficult to obtain for the cross-plane geometry due to the challenge of solving the Boltzmann equation in a finite domain. Here, we present a semi-analytical series expansion method to solve the transient, frequency-dependent Boltzmann transport equation that is valid from the diffusive to ballistic transport regimes and rigorously includes the frequency-dependence of phonon properties. Further, our method is more than three orders of magnitude faster than prior numerical methods and provides a simple analytical expression for the thermal conductivity as a function of film thickness. Our result enables a straightforward physical understanding of cross-plane heat conduction in thin films.

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

    SciTech Connect

    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.

  3. A space–angle DGFEM approach for the Boltzmann radiation transport equation with local angular refinement

    SciTech Connect

    Kópházi, József Lathouwers, Danny

    2015-09-15

    In this paper a new method for the discretization of the radiation transport equation is presented, based on a discontinuous Galerkin method in space and angle that allows for local refinement in angle where any spatial element can support its own angular discretization. To cope with the discontinuous spatial nature of the solution, a generalized Riemann procedure is required to distinguish between incoming and outgoing contributions of the numerical fluxes. A new consistent framework is introduced that is based on the solution of a generalized eigenvalue problem. The resulting numerical fluxes for the various possible cases where neighboring elements have an equal, higher or lower level of refinement in angle are derived based on tensor algebra and the resulting expressions have a very clear physical interpretation. The choice of discontinuous trial functions not only has the advantage of easing local refinement, it also facilitates the use of efficient sweep-based solvers due to decoupling of unknowns on a large scale thereby approaching the efficiency of discrete ordinates methods with local angular resolution. The approach is illustrated by a series of numerical experiments. Results show high orders of convergence for the scalar flux on angular refinement. The generalized Riemann upwinding procedure leads to stable and consistent solutions. Further the sweep-based solver performs well when used as a preconditioner for a Krylov method.

  4. Dynamic structure factor of the normal Fermi gas from the collisionless to the hydrodynamic regime

    SciTech Connect

    Watabe, Shohei; Nikuni, Tetsuro

    2010-09-15

    The dynamic structure factor of a normal Fermi gas is investigated by using the moment method for the Boltzmann equation. We determine the spectral function at finite temperatures over the full range of crossover from the collisionless regime to the hydrodynamic regime. We find that the Brillouin peak in the dynamic structure factor exhibits a smooth crossover from zero to first sound as functions of temperature and interaction strength. The dynamic structure factor obtained using the moment method also exhibits a definite Rayleigh peak ({omega}{approx}0), which is a characteristic of the hydrodynamic regime. We compare the dynamic structure factor obtained by the moment method with that obtained from the hydrodynamic equations.

  5. Impact of Heterogeneity-Based Dose Calculation Using a Deterministic Grid-Based Boltzmann Equation Solver for Intracavitary Brachytherapy

    SciTech Connect

    Mikell, Justin K.; Klopp, Ann H.; Gonzalez, Graciela M.N.; Kisling, Kelly D.; Price, Michael J.; Berner, Paula A.; Eifel, Patricia J.; Mourtada, Firas

    2012-07-01

    Purpose: To investigate the dosimetric impact of the heterogeneity dose calculation Acuros (Transpire Inc., Gig Harbor, WA), a grid-based Boltzmann equation solver (GBBS), for brachytherapy in a cohort of cervical cancer patients. Methods and Materials: The impact of heterogeneities was retrospectively assessed in treatment plans for 26 patients who had previously received {sup 192}Ir intracavitary brachytherapy for cervical cancer with computed tomography (CT)/magnetic resonance-compatible tandems and unshielded colpostats. The GBBS models sources, patient boundaries, applicators, and tissue heterogeneities. Multiple GBBS calculations were performed with and without solid model applicator, with and without overriding the patient contour to 1 g/cm{sup 3} muscle, and with and without overriding contrast materials to muscle or 2.25 g/cm{sup 3} bone. Impact of source and boundary modeling, applicator, tissue heterogeneities, and sensitivity of CT-to-material mapping of contrast were derived from the multiple calculations. American Association of Physicists in Medicine Task Group 43 (TG-43) guidelines and the GBBS were compared for the following clinical dosimetric parameters: Manchester points A and B, International Commission on Radiation Units and Measurements (ICRU) report 38 rectal and bladder points, three and nine o'clock, and {sub D2cm3} to the bladder, rectum, and sigmoid. Results: Points A and B, D{sub 2} cm{sup 3} bladder, ICRU bladder, and three and nine o'clock were within 5% of TG-43 for all GBBS calculations. The source and boundary and applicator account for most of the differences between the GBBS and TG-43 guidelines. The D{sub 2cm3} rectum (n = 3), D{sub 2cm3} sigmoid (n = 1), and ICRU rectum (n = 6) had differences of >5% from TG-43 for the worst case incorrect mapping of contrast to bone. Clinical dosimetric parameters were within 5% of TG-43 when rectal and balloon contrast were mapped to bone and radiopaque packing was not overridden. Conclusions

  6. Phase space simulation of collisionless stellar systems on the massively parallel processor

    NASA Technical Reports Server (NTRS)

    White, Richard L.

    1987-01-01

    A numerical technique for solving the collisionless Boltzmann equation describing the time evolution of a self gravitating fluid in phase space was implemented on the Massively Parallel Processor (MPP). The code performs calculations for a two dimensional phase space grid (with one space and one velocity dimension). Some results from calculations are presented. The execution speed of the code is comparable to the speed of a single processor of a Cray-XMP. Advantages and disadvantages of the MPP architecture for this type of problem are discussed. The nearest neighbor connectivity of the MPP array does not pose a significant obstacle. Future MPP-like machines should have much more local memory and easier access to staging memory and disks in order to be effective for this type of problem.

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

    PubMed

    Fogolari, Federico; Corazza, Alessandra; Esposito, Gennaro

    2015-04-05

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

  8. Perfect fluidity of a dissipative system: Analytical solution for the Boltzmann equation in AdS2 Ⓧ S2

    SciTech Connect

    Noronha, Jorge; Denicol, Gabriel S.

    2015-12-30

    In this paper we obtain an analytical solution of the relativistic Boltzmann equation under the relaxation time approximation that describes the out-of-equilibrium dynamics of a radially expanding massless gas. This solution is found by mapping this expanding system in flat spacetime to a static flow in the curved spacetime AdS2 Ⓧ S2. We further derive explicit analytic expressions for the momentum dependence of the single-particle distribution function as well as for the spatial dependence of its moments. We find that this dissipative system has the ability to flow as a perfect fluid even though its entropy density does not match the equilibrium form. The nonequilibrium contribution to the entropy density is shown to be due to higher-order scalar moments (which possess no hydrodynamical interpretation) of the Boltzmann equation that can remain out of equilibrium but do not couple to the energy-momentum tensor of the system. Furthermore, in this system the slowly moving hydrodynamic degrees of freedom can exhibit true perfect fluidity while being totally decoupled from the fast moving, nonhydrodynamical microscopic degrees of freedom that lead to entropy production.

  9. Stellar dynamics around a massive black hole - I. Secular collisionless theory

    NASA Astrophysics Data System (ADS)

    Sridhar, S.; Touma, Jihad R.

    2016-06-01

    We present a theory in three parts, of the secular dynamics of a (Keplerian) stellar system of mass M orbiting a black hole of mass M• ≫ M. Here we describe the collisionless dynamics; Papers II and III are on the (collisional) theory of resonant relaxation. The mass ratio, ε = M/M• ≪ 1, is a natural small parameter implying a separation of time-scales between the short Kepler orbital periods and the longer orbital precessional periods. The collisionless Boltzmann equation (CBE) for the stellar distribution function (DF) is averaged over the fast Kepler orbital phase using the method of multiple scales. The orbit-averaged system is described by a secular DF, F, in a reduced phase space. F obeys a secular CBE that includes stellar self-gravity, general relativistic corrections up to 1.5 post-Newtonian order, and external sources varying over secular times. Secular dynamics, even with general time dependence, conserves the semimajor axis of every star. This additional integral of motion promotes extra regularity of the stellar orbits, and enables the construction of equilibria, F0, through a secular Jeans theorem. A linearized secular CBE determines the response and stability of F0. Spherical, non-rotating equilibria may support long-lived, warp-like distortions. We also prove that an axisymmetric, zero-thickness, flat disc is secularly stable to all in-plane perturbations, when its DF, F0, is a monotonic function of the angular momentum at fixed energy.

  10. Comparison of fluid neutral models for one-dimensional plasma edge modeling with a finite volume solution of the Boltzmann equation

    SciTech Connect

    Horsten, N. Baelmans, M.; Dekeyser, W.; Samaey, G.

    2016-01-15

    We derive fluid neutral approximations for a simplified 1D edge plasma model, suitable to study the neutral behavior close to the target of a nuclear fusion divertor, and compare its solutions to the solution of the corresponding kinetic Boltzmann equation. The plasma is considered as a fixed background extracted from a detached 2D simulation. We show that the Maxwellian equilibrium distribution is already obtained very close to the target, justifying the use of a fluid approximation. We compare three fluid neutral models: (i) a diffusion model; (ii) a pressure-diffusion model (i.e., a combination of a continuity and momentum equation) assuming equal neutral and ion temperatures; and (iii) the pressure-diffusion model coupled to a neutral energy equation taking into account temperature differences between neutrals and ions. Partial reflection of neutrals reaching the boundaries is included in both the kinetic and fluid models. We propose two methods to obtain an incident neutral flux boundary condition for the fluid models: one based on a diffusion approximation and the other assuming a truncated Chapman-Enskog distribution. The pressure-diffusion model predicts the plasma sources very well. The diffusion boundary condition gives slightly better results overall. Although including an energy equation still improves the results, the assumption of equal ion and neutral temperature already gives a very good approximation.

  11. Numerical solution to the Boltzmann equation for use in calculating pumping rates in a CO sub 2 discharge laser. Master's thesis

    SciTech Connect

    Honey, D.A.

    1989-12-01

    The collisional Boltzmann equation was solved numerically to obtain excitation rates for use in a CO{sub 2} laser design program. The program was written in Microsoft QuickBasic for use on the IBM Personal Computer or equivalent. Program validation involved comparisons of computed transport coefficients with experimental data and previous theoretical work. Four different numerical algorithms were evaluated in terms of accuracy and efficiency. L-U decomposition was identified as the preferred approach. The calculated transport coefficients were found to agree with empirical data within one to five percent. The program was integrated into a CO{sub 2} laser design program. Studies were then performed to evaluate the effects on predicted laser output power and energy density as parameters affecting electron kinetics were changed. Plotting routines were written for both programs.

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

    SciTech Connect

    St Aubin, J.; Keyvanloo, A.; Fallone, B. G.

    2016-01-15

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

  13. Collisional and collisionless expansion of Yukawa balls.

    PubMed

    Piel, Alexander; Goree, John A

    2013-12-01

    The expansion of Yukawa balls is studied by means of molecular dynamics simulations of collisionless and collisional situations. High computation speed was achieved by using the parallel computing power of graphics processing units. When the radius of the Yukawa ball is large compared to the shielding length, the expansion process starts with the blow-off of the outermost layer. A rarefactive wave subsequently propagates radially inward at the speed of longitudinal phonons. This mechanism is fundamentally different from Coulomb explosions, which employ a self-similar expansion of the entire system. In the collisionless limit, the outer layers carry away most of the available energy. The simulations are compared with analytical estimates. In the collisional case, the expansion process can be described by a nonlinear diffusion equation that is a special case of the porous medium equation.

  14. Computation of Hypersonic Shock Wave Flows of Multi-Component Reactive Gas Mixtures Using the Generalized Boltzmann Equation

    DTIC Science & Technology

    2009-03-27

    a0 where A, =| Ae, + Ae2 \\/elr0, A2 = 2 | Ae2 - Ae, | / em, A, = 41 Ae, | /(elr0 + eH), A4 = 41 Ae2 | /(e,0 + erj ), (33) and of = qkq, Hqfij...e,r0 =mg 2/4, em = elr0 + ert + erj . In equation (33), qi is the degeneration, and et is the rotational energy of the ;’-th level. This model can

  15. A Review on the Use of Grid-Based Boltzmann Equation Solvers for Dose Calculation in External Photon Beam Treatment Planning

    PubMed Central

    Kan, Monica W. K.; Yu, Peter K. N.; Leung, Lucullus H. T.

    2013-01-01

    Deterministic linear Boltzmann transport equation (D-LBTE) solvers have recently been developed, and one of the latest available software codes, Acuros XB, has been implemented in a commercial treatment planning system for radiotherapy photon beam dose calculation. One of the major limitations of most commercially available model-based algorithms for photon dose calculation is the ability to account for the effect of electron transport. This induces some errors in patient dose calculations, especially near heterogeneous interfaces between low and high density media such as tissue/lung interfaces. D-LBTE solvers have a high potential of producing accurate dose distributions in and near heterogeneous media in the human body. Extensive previous investigations have proved that D-LBTE solvers were able to produce comparable dose calculation accuracy as Monte Carlo methods with a reasonable speed good enough for clinical use. The current paper reviews the dosimetric evaluations of D-LBTE solvers for external beam photon radiotherapy. This content summarizes and discusses dosimetric validations for D-LBTE solvers in both homogeneous and heterogeneous media under different circumstances and also the clinical impact on various diseases due to the conversion of dose calculation from a conventional convolution/superposition algorithm to a recently released D-LBTE solver. PMID:24066294

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

    PubMed

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

    2016-10-01

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

  17. Parallel Newton-Krylov-Schwarz algorithms for the three-dimensional Poisson-Boltzmann equation in numerical simulation of colloidal particle interactions

    NASA Astrophysics Data System (ADS)

    Hwang, Feng-Nan; Cai, Shang-Rong; Shao, Yun-Long; Wu, Jong-Shinn

    2010-09-01

    We investigate fully parallel Newton-Krylov-Schwarz (NKS) algorithms for solving the large sparse nonlinear systems of equations arising from the finite element discretization of the three-dimensional Poisson-Boltzmann equation (PBE), which is often used to describe the colloidal phenomena of an electric double layer around charged objects in colloidal and interfacial science. The NKS algorithm employs an inexact Newton method with backtracking (INB) as the nonlinear solver in conjunction with a Krylov subspace method as the linear solver for the corresponding Jacobian system. An overlapping Schwarz method as a preconditioner to accelerate the convergence of the linear solver. Two test cases including two isolated charged particles and two colloidal particles in a cylindrical pore are used as benchmark problems to validate the correctness of our parallel NKS-based PBE solver. In addition, a truly three-dimensional case, which models the interaction between two charged spherical particles within a rough charged micro-capillary, is simulated to demonstrate the applicability of our PBE solver to handle a problem with complex geometry. Finally, based on the result obtained from a PC cluster of parallel machines, we show numerically that NKS is quite suitable for the numerical simulation of interaction between colloidal particles, since NKS is robust in the sense that INB is able to converge within a small number of iterations regardless of the geometry, the mesh size, the number of processors. With help of an additive preconditioned Krylov subspace method NKS achieves parallel efficiency of 71% or better on up to a hundred processors for a 3D problem with 5 million unknowns.

  18. A Novel Multigrid Method for Sn Discretizations of the Mono-Energetic Boltzmann Transport Equation in the Optically Thick and Thin Regimes with Anisotropic Scattering, Part I

    SciTech Connect

    Lee, Barry

    2010-05-01

    This paper presents a new multigrid method applied to the most common Sn discretizations (Petrov-Galerkin, diamond-differenced, corner-balanced, and discontinuous Galerkin) of the mono-energetic Boltzmann transport equation in the optically thick and thin regimes, and with strong anisotropic scattering. Unlike methods that use scalar DSA diffusion preconditioners for the source iteration, this multigrid method is applied directly to an integral equation for the scalar flux. Thus, unlike the former methods that apply a multigrid strategy to the scalar DSA diffusion operator, this method applies a multigrid strategy to the integral source iteration operator, which is an operator for 5 independent variables in spatial 3-d (3 in space and 2 in angle) and 4 independent variables in spatial 2-d (2 in space and 2 in angle). The core smoother of this multigrid method involves applications of the integral operator. Since the kernel of this integral operator involves the transport sweeps, applying this integral operator requires a transport sweep (an inversion of an upper triagular matrix) for each of the angles used. As the equation is in 5-space or 4-space, the multigrid approach in this paper coarsens in both angle and space, effecting efficient applications of the coarse integral operators. Although each V-cycle of this method is more expensive than a V-cycle for the DSA preconditioner, since the DSA equation does not have angular dependence, the overall computational efficiency is about the same for problems where DSA preconditioning {\\it is} effective. This new method also appears to be more robust over all parameter regimes than DSA approaches. Moreover, this new method is applicable to a variety of Sn spatial discretizations, to problems involving a combination of optically thick and thin regimes, and more importantly, to problems with anisotropic scattering cross-sections, all of which DSA approaches perform poorly or not applicable at all. This multigrid approach

  19. Multigroup discrete ordinates solution of Boltzmann-Fokker-Planck equations and cross section library development of ion transport

    SciTech Connect

    Prinja, A.K.

    1995-08-01

    We have developed and successfully implemented a two-dimensional bilinear discontinuous in space and time, used in conjunction with the S{sub N} angular approximation, to numerically solve the time dependent, one-dimensional, one-speed, slab geometry, (ion) transport equation. Numerical results and comparison with analytical solutions have shown that the bilinear-discontinuous (BLD) scheme is third-order accurate in the space ad time dimensions independently. Comparison of the BLD results with diamond-difference methods indicate that the BLD method is both quantitavely and qualitatively superior to the DD scheme. We note that the form of the transport operator is such that these conclusions carry over to energy dependent problems that include the constant-slowing-down-approximation term, and to multiple space dimensions or combinations thereof. An optimized marching or inversion scheme or a parallel algorithm should be investigated to determine if the increased accuracy can compensate for the extra overhead required for a BLD solution, and then could be compared to other discretization methods such as nodal or characteristic schemes.

  20. A multi-term solution of the space–time Boltzmann equation for electrons in gases and liquids

    NASA Astrophysics Data System (ADS)

    Boyle, G. J.; Tattersall, W. J.; Cocks, D. G.; McEachran, R. P.; White, R. D.

    2017-02-01

    In this study we have developed a full multi-term space–time solution of Boltzmann’s equation for electron transport in gases and liquids. A Green’s function formalism is used that enables flexible adaptation to various experimental systems. The spatio-temporal evolution of electrons in liquids in the non-hydrodynamic regime is benchmarked for a model Percus–Yevick (PY) liquid against an independent Monte Carlo simulation, and then applied to liquid argon. The temporal evolution of Franck–Hertz oscillations in configuration and energy space are observed for the model liquid with large differences apparent when compared to the dilute gas case, for both the velocity distribution function components and the transport quantities. The packing density in the PY liquid is shown to influence both the magnitude and wavelength of Franck–Hertz oscillations of the steady-state Townsend (SST) simulation. Transport properties are calculated from the non-hydrodynamic theory in the long time limit under SST conditions which are benchmarked against hydrodynamic transport coefficients. Finally, the spatio-temporal relaxation of low-energy electrons in liquid argon was investigated, with striking differences evident in the spatio-temporal development of the velocity distribution function components between the uncorrelated gas and true liquid approximations, due largely to the presence of a Ramsauer minimum in the former and not in the latter.

  1. Lattice Boltzmann modeling of phonon transport

    NASA Astrophysics Data System (ADS)

    Guo, Yangyu; Wang, Moran

    2016-06-01

    A novel lattice Boltzmann scheme is proposed for phonon transport based on the phonon Boltzmann equation. Through the Chapman-Enskog expansion, the phonon lattice Boltzmann equation under the gray relaxation time approximation recovers the classical Fourier's law in the diffusive limit. The numerical parameters in the lattice Boltzmann model are therefore rigorously correlated to the bulk material properties. The new scheme does not only eliminate the fictitious phonon speed in the diagonal direction of a square lattice system in the previous lattice Boltzmann models, but also displays very robust performances in predicting both temperature and heat flux distributions consistent with analytical solutions for diverse numerical cases, including steady-state and transient, macroscale and microscale, one-dimensional and multi-dimensional phonon heat transport. This method may provide a powerful numerical tool for deep studies of nonlinear and nonlocal heat transports in nanosystems.

  2. Using Correlated Monte Carlo Sampling for Efficiently Solving the Linearized Poisson-Boltzmann Equation Over a Broad Range of Salt Concentration.

    PubMed

    Fenley, Marcia O; Mascagni, Michael; McClain, James; Silalahi, Alexander R J; Simonov, Nikolai A

    2010-01-01

    Dielectric continuum or implicit solvent models provide a significant reduction in computational cost when accounting for the salt-mediated electrostatic interactions of biomolecules immersed in an ionic environment. These models, in which the solvent and ions are replaced by a dielectric continuum, seek to capture the average statistical effects of the ionic solvent, while the solute is treated at the atomic level of detail. For decades, the solution of the three-dimensional Poisson-Boltzmann equation (PBE), which has become a standard implicit-solvent tool for assessing electrostatic effects in biomolecular systems, has been based on various deterministic numerical methods. Some deterministic PBE algorithms have drawbacks, which include a lack of properly assessing their accuracy, geometrical difficulties caused by discretization, and for some problems their cost in both memory and computation time. Our original stochastic method resolves some of these difficulties by solving the PBE using the Monte Carlo method (MCM). This new approach to the PBE is capable of efficiently solving complex, multi-domain and salt-dependent problems in biomolecular continuum electrostatics to high precision. Here we improve upon our novel stochastic approach by simultaneouly computating of electrostatic potential and solvation free energies at different ionic concentrations through correlated Monte Carlo (MC) sampling. By using carefully constructed correlated random walks in our algorithm, we can actually compute the solution to a standard system including the linearized PBE (LPBE) at all salt concentrations of interest, simultaneously. This approach not only accelerates our MCPBE algorithm, but seems to have cost and accuracy advantages over deterministic methods as well. We verify the effectiveness of this technique by applying it to two common electrostatic computations: the electrostatic potential and polar solvation free energy for calcium binding proteins that are compared

  3. Electrical transport limited by electron-phonon coupling from Boltzmann transport equation: An ab initio study of Si, Al, and MoS2

    NASA Astrophysics Data System (ADS)

    Li, Wu

    2015-08-01

    We demonstrate the ab initio electrical transport calculation limited by electron-phonon coupling by using the full solution of the Boltzmann transport equation (BTE), which applies equally to metals and semiconductors. Numerical issues are emphasized in this work. We show that the simple linear interpolation of the electron-phonon coupling matrix elements from a relatively coarse grid to an extremely fine grid can ease the calculational burden, which makes the calculation feasible in practice. For the Brillouin zone (BZ) integration of the transition probabilities involving one δ function, the Gaussian smearing method with a physical choice of locally adaptive broadening parameters is employed. We validate the calculation in the cases of n -type Si and Al. The calculated conductivity and mobility are in good agreement with experiments. In the metal case we also demonstrate that the Gaussian smearing method with locally adaptive broadening parameters works excellently for the BZ integration with double δ functions involved in the Eliashberg spectral function and its transport variant. The simpler implementation is the advantage of the Gaussian smearing method over the tetrahedron method. The accuracy of the relaxation time approximation and the approximation made by Allen [Phys. Rev. B 17, 3725 (1978), 10.1103/PhysRevB.17.3725] has been examined by comparing with the exact solution of BTE. We also apply our method to n -type monolayer MoS2, for which a mobility of 150 cm2 v-1 s-1 is obtained at room temperature. Moreover, the mean free paths are less than 9 nm, indicating that in the presence of grain boundaries the mobilities should not be effectively affected if the grain boundary size is tens of nanometers or larger. The ab initio approach demonstrated in this paper can be directly applied to other materials without the need for any a priori knowledge about the electron-phonon scattering processes, and can be straightforwardly extended to study cases with

  4. Nonlinear heavy-ion-acoustic waves in an adiabatic collisionless bi-ion plasma

    NASA Astrophysics Data System (ADS)

    Hossen, M. A.; Rahman, M. M.; Hossen, M. R.; Mamun, A. A.

    2017-03-01

    The basic properties of heavy-ion-acoustic (HIA) waves have been investigated in a collisionless plasma system which is supposed to be composed of nonthermal electrons, Boltzmann distributed light ions, and adiabatic positively charged inertial heavy ions. The Kortewg-de Vries and Burgers equations are derived in nonplanar (cylindrical and spherical) geometry by employing the standard reductive perturbation method for studying the basic features (viz. amplitude, phase speed, etc.) of HIA solitary and shock waves, which are associated with either positive or negative potential. It is found that the effects of nonplanar geometry, adiabaticity of positively charged inertial heavy ions, the presence of nonthermal (Cairns distributed) electrons, and number densities of the plasma components significantly modify the basic features of nonplanar HIA waves. It has been observed that the properties of solitary and shock waves associated with HIA waves in a nonplanar geometry differ from those in a planar geometry. The implications of our results may be helpful in understanding the electrostatic perturbations in various laboratory and astrophysical plasma environments.

  5. Lattice Boltzmann approach for complex nonequilibrium flows.

    PubMed

    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.

  6. Clamping in Boltzmann machines.

    PubMed

    Livesey, M

    1991-01-01

    A certain assumption that appears in the proof of correctness of the standard Boltzmann machine learning procedure is investigated. The assumption, called the clamping assumption, concerns the behavior of a Boltzmann machine when some of its units are clamped to a fixed state. It is argued that the clamping assumption is essentially an assertion of the time reversibility of a certain Markov chain underlying the behavior of the Boltzmann machine. As such, the clamping assumption is generally false, though it is certainly true of the Boltzmann machines themselves. The author also considers how the concept of the Boltzmann machine may be generalized while retaining the validity of the clamping assumption.

  7. Evaluation of Equations of State and Mixing Models for Simulating the Brine-CO2 System with a Lattice Boltzmann Model Under Reservoir Conditions

    NASA Astrophysics Data System (ADS)

    Schaap, M. G.

    2013-12-01

    This DOE-funded study is a collaboration between Oregon State University (led by Dr. Dorthe Wildenschild) and the University of Arizona to investigate pore-scale aspects of capillary trapping to enhance the efficiency of geological CO2 sequestration in deep saline aquifers where super-critical conditions prevail. Compared to most current reservoir-scale studies, our research takes several steps back in scale to observe and model trapping at the pore-scale using a combination of computed micro-tomography imaging (performed by OSU) and multi-phase/multi-component lattice Boltzmann (LB) simulations (carried out by UA). The main objective is to quantify how pore-scale mechanisms translate into continuum scale properties that can subsequently support improved modelling of sequestration at large spatio-temporal scales. For the purposes of this project it is important to correctly simulate the physical conditions under which super-critical CO2 will be present after injection into the host rock. In practice this means that the LB model should be able to handle the pressures (P), densities (ρ), temperatures (T) that prevail in deep geological media. A logical way of dealing with is is to combine a single-component LB model with and Equation of State (EOS) that describes the physical interrelations among P, ρ and T (Yuan and Scheafer, 2006). Previously, we showed that the Peng-Robinson (PR) EOS provides an excellent fit to super-critical conditions for the pure CO2 system. However, simulating pure-CO2 systems is not sufficient as the super-critical CO2 will co-exist (and interact) with brine present in the saline aquifers. In effect this means that we need to simulate multi-component systems: one phase being the super-critical CO2, the other phase being a brine of varying salinity. Previously, we have used used a Shan-Chen-type model (Shan Chen, 1993, 1994) as modified by Martys and Chen (1996) for simplified capillari pressure dominated air-water systems in porous media

  8. Generalized Boltzmann formalism for oscillating neutrinos

    SciTech Connect

    Strack, P.; Burrows, A.

    2005-05-01

    In the standard approaches to neutrino transport in the simulation of core-collapse supernovas, one will often start from the classical Boltzmann equation for the neutrino's spatial, temporal, and spectral evolution. For each neutrino species, and its antiparticle, the classical density in phase space, or the associated specific intensity, will be calculated as a function of time. The neutrino radiation is coupled to matter by source and sink terms on the 'right-hand side' of the transport equation and together with the equations of hydrodynamics this set of coupled partial differential equations for classical densities describes, in principle, the evolution of core collapse and explosion. However, with the possibility of neutrino oscillations between species, a purely quantum-physical effect, how to generalize this set of Boltzmann equations for classical quantities to reflect oscillation physics has not been clear. To date, the formalisms developed have retained the character of quantum operator physics involving complex quantities and have not been suitable for easy incorporation into standard supernova codes. In this paper, we derive generalized Boltzmann equations for quasiclassical, real-valued phase-space densities that retain all the standard oscillation phenomenology, including the matter-enhanced resonant flavor conversion (Mikheev-Smirnov-Wolfenstein effect), neutrino self-interactions, and the interplay between decohering matter coupling and flavor oscillations. With this formalism, any code(s) that can now handle the solution of the classical Boltzmann or transport equation can easily be generalized to include neutrino oscillations in a quantum-physically consistent fashion.

  9. Chaotic Boltzmann machines

    NASA Astrophysics Data System (ADS)

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

    2013-04-01

    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.

  10. Chaotic Boltzmann machines.

    PubMed

    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.

  11. Intercomponent momentum transport and electrical conductivity of collisionless plasma

    NASA Technical Reports Server (NTRS)

    Wilhelm, H. E.

    1973-01-01

    Based on the Lenard-Balescu equation, the interaction integral for the intercomponent momentum transfer in a two-component, collisionless plasma is evaluated in closed form. The distribution functions of the electrons and ions are represented in the form of nonisothermal, displaced Maxwellians corresponding to the 5-moment approximation. As an application, the transport of electrical current in an electric field is discussed for infrasonic up to sonic electron-ion drift velocities.

  12. Multiple-Relaxation-Time Lattice Boltzmann Models in 3D

    NASA Technical Reports Server (NTRS)

    dHumieres, Dominique; Ginzburg, Irina; Krafczyk, Manfred; Lallemand, Pierre; Luo, Li-Shi; Bushnell, Dennis M. (Technical Monitor)

    2002-01-01

    This article provides a concise exposition of the multiple-relaxation-time lattice Boltzmann equation, with examples of fifteen-velocity and nineteen-velocity models in three dimensions. Simulation of a diagonally lid-driven cavity flow in three dimensions at Re=500 and 2000 is performed. The results clearly demonstrate the superior numerical stability of the multiple-relaxation-time lattice Boltzmann equation over the popular lattice Bhatnagar-Gross-Krook equation.

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

    ERIC Educational Resources Information Center

    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.…

  14. Lattice Boltzmann Method for Two-Dimensional Unsteady Incompressible Flow

    NASA Astrophysics Data System (ADS)

    Mužík, Juraj

    2016-12-01

    A Lattice Boltzmann method is used to analyse incompressible fluid flow in a two-dimensional cavity and flow in the channel past cylindrical obstacle. The method solves the Boltzmann's transport equation using simple computational grid - lattice. With the proper choice of the collision operator, the Boltzmann's equation can be converted into incompressible Navier-Stokes equation. Lid-driven cavity benchmark case for various Reynolds numbers and flow past cylinder is presented in the article. The method produces stable solutions with results comparable to those in literature and is very easy to implement.

  15. Crystallographic Lattice Boltzmann Method

    NASA Astrophysics Data System (ADS)

    Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

    2016-06-01

    Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows.

  16. Crystallographic Lattice Boltzmann Method

    PubMed Central

    Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

    2016-01-01

    Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows. PMID:27251098

  17. Collisionless relaxation in beam-plasma systems

    SciTech Connect

    Backhaus, Ekaterina Yu.

    2001-01-01

    This thesis reports the results from the theoretical investigations, both numerical and analytical, of collisionless relaxation phenomena in beam-plasma systems. Many results of this work can also be applied to other lossless systems of plasma physics, beam physics and astrophysics. Different aspects of the physics of collisionless relaxation and its modeling are addressed. A new theoretical framework, named Coupled Moment Equations (CME), is derived and used in numerical and analytical studies of the relaxation of second order moments such as beam size and emittance oscillations. This technique extends the well-known envelope equation formalism, and it can be applied to general systems with nonlinear forces. It is based on a systematic moment expansion of the Vlasov equation. In contrast to the envelope equation, which is derived assuming constant rms beam emittance, the CME model allows the emittance to vary through coupling to higher order moments. The CME model is implemented in slab geometry in the absence of return currents. The CME simulation yields rms beam sizes, velocity spreads and emittances that are in good agreement with particle-in-cell (PIC) simulations for a wide range of system parameters. The mechanism of relaxation is also considered within the framework of the CME system. It is discovered that the rapid relaxation or beam size oscillations can be attributed to a resonant coupling between different modes of the system. A simple analytical estimate of the relaxation time is developed. The final state of the system reached after the relaxation is complete is investigated. New and accurate analytical results for the second order moments in the phase-mixed state are obtained. Unlike previous results, these connect the final values of the second order moments with the initial beam mismatch. These analytical estimates are in good agreement with the CME model and PIC simulations. Predictions for the final density and temperature are developed that show

  18. A new Green's function Monte Carlo algorithm for the solution of the two-dimensional nonlinear Poisson–Boltzmann equation: Application to the modeling of the communication breakdown problem in space vehicles during re-entry

    SciTech Connect

    Chatterjee, Kausik; Roadcap, John R.; Singh, Surendra

    2014-11-01

    The objective of this paper is the exposition of a recently-developed, novel Green's function Monte Carlo (GFMC) algorithm for the solution of nonlinear partial differential equations and its application to the modeling of the plasma sheath region around a cylindrical conducting object, carrying a potential and moving at low speeds through an otherwise neutral medium. The plasma sheath is modeled in equilibrium through the GFMC solution of the nonlinear Poisson–Boltzmann (NPB) equation. The traditional Monte Carlo based approaches for the solution of nonlinear equations are iterative in nature, involving branching stochastic processes which are used to calculate linear functionals of the solution of nonlinear integral equations. Over the last several years, one of the authors of this paper, K. Chatterjee has been developing a philosophically-different approach, where the linearization of the equation of interest is not required and hence there is no need for iteration and the simulation of branching processes. Instead, an approximate expression for the Green's function is obtained using perturbation theory, which is used to formulate the random walk equations within the problem sub-domains where the random walker makes its walks. However, as a trade-off, the dimensions of these sub-domains have to be restricted by the limitations imposed by perturbation theory. The greatest advantage of this approach is the ease and simplicity of parallelization stemming from the lack of the need for iteration, as a result of which the parallelization procedure is identical to the parallelization procedure for the GFMC solution of a linear problem. The application area of interest is in the modeling of the communication breakdown problem during a space vehicle's re-entry into the atmosphere. However, additional application areas are being explored in the modeling of electromagnetic propagation through the atmosphere/ionosphere in UHF/GPS applications.

  19. Transport of parallel momentum by collisionless drift wave turbulence

    SciTech Connect

    Diamond, P. H.; McDevitt, C. J.; Guercan, Oe. D.; Hahm, T. S.; Naulin, V.

    2008-01-15

    This paper presents a novel, unified approach to the theory of turbulent transport of parallel momentum by collisionless drift waves. The physics of resonant and nonresonant off-diagonal contributions to the momentum flux is emphasized, and collisionless momentum exchange between waves and particles is accounted for. Two related momentum conservation theorems are derived. These relate the resonant particle momentum flux, the wave momentum flux, and the refractive force. A perturbative calculation, in the spirit of Chapman-Enskog theory, is used to obtain the wave momentum flux, which contributes significantly to the residual stress. A general equation for mean k{sub parallel} () is derived and used to develop a generalized theory of symmetry breaking. The resonant particle momentum flux is calculated, and pinch and residual stress effects are identified. The implications of the theory for intrinsic rotation and momentum transport bifurcations are discussed.

  20. Lattice Boltzmann model for simulation of magnetohydrodynamics

    NASA Technical Reports Server (NTRS)

    Chen, Shiyi; Chen, Hudong; Martinez, Daniel; Matthaeus, William

    1991-01-01

    A numerical method, based on a discrete Boltzmann equation, is presented for solving the equations of magnetohydrodynamics (MHD). The algorithm provides advantages similar to the cellular automaton method in that it is local and easily adapted to parallel computing environments. Because of much lower noise levels and less stringent requirements on lattice size, the method appears to be more competitive with traditional solution methods. Examples show that the model accurately reproduces both linear and nonlinear MHD phenomena.

  1. How good is the Lattice Boltzmann method?

    NASA Astrophysics Data System (ADS)

    Kocheemoolayil, Joseph; Barad, Michael; Kiris, Cetin

    2016-11-01

    Conflicting opinions exist in literature regarding how efficient the lattice Boltzmann method is relative to high-order finite difference approximations of the Navier-Stokes equations on Cartesian meshes, especially at high Mach numbers. We address the question from the pragmatic viewpoint of a practitioner. Dispersion, dissipation and aliasing errors of various lattice Boltzmann models are systematically quantified. The number of floating point operations and memory required for a desired accuracy level are carefully compared for the two numerical methods. Turbulent kinetic energy budgets for several standard test cases such as the decaying Taylor-Green vortex problem are used to evaluate how effective the stabilization mechanisms necessary for lattice Boltzmann method at high Reynolds numbers are. Detailed comments regarding the cyclomatic complexity of the underlying software, scalability of the underlying algorithm on state-of-the-art high-performance computing platforms and wall clock times and relative accuracy for selected simulations conducted using the two approaches are also made.

  2. Boltzmann-Electron Model in Aleph.

    SciTech Connect

    Hughes, Thomas Patrick; Hooper, Russell

    2014-11-01

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

  3. TEMPEST Simulations of Collisionless Damping of Geodesic-Acoustic Mode in Edge Plasma Pedestal

    SciTech Connect

    Xu, X; Xiong, Z; Nevins, W; McKee, G

    2007-05-31

    The fully nonlinear 4D TEMPEST gyrokinetic continuum code produces frequency, collisionless damping of geodesic-acoustic mode (GAM) and zonal flow with fully nonlinear Boltzmann electrons for the inverse aspect ratio {epsilon}-scan and the tokamak safety factor q-scan in homogeneous plasmas. The TEMPEST simulation shows that GAM exists in edge plasma pedestal for steep density and temperature gradients, and an initial GAM relaxes to the standard neoclassical residual, rather than Rosenbluth-Hinton residual due to the presence of ion-ion collisions. The enhanced GAM damping explains experimental BES measurements on the edge q scaling of the GAM amplitude.

  4. TEMPEST Simulations of Collisionless Damping of Geodesic-Acoustic Mode in Edge Plasma Pedestal

    SciTech Connect

    Xu, X Q; Xiong, Z; Nevins, W M; McKee, G R

    2007-05-30

    The fully nonlinear (full-f) 4D TEMPEST gyrokinetic continuum code produces frequency, collisionless damping of GAM and zonal flow with fully nonlinear Boltzmann electrons for the inverse aspect ratio {epsilon}-scan and the tokamak safety factor q-scan in homogeneous plasmas. The TEMPEST simulation shows that GAM exists in edge plasma pedestal for steep density and temperature gradients, and an initial GAM relaxes to the standard neoclassical residual, rather than Rosenbluth-Hinton residual due to the presence of ion-ion collisions. The enhanced GAM damping explains experimental BES measurements on the edge q scaling of the GAM amplitude.

  5. Boltzmann hierarchy for interacting neutrinos I: formalism

    SciTech Connect

    Oldengott, Isabel M.; Rampf, Cornelius; Wong, Yvonne Y.Y. E-mail: cornelius.rampf@port.ac.uk

    2015-04-01

    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{sub eff}{sup 2},c{sub vis}{sup 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.

  6. Meshless lattice Boltzmann method for the simulation of fluid flows.

    PubMed

    Musavi, S Hossein; Ashrafizaadeh, Mahmud

    2015-02-01

    A meshless lattice Boltzmann numerical method is proposed. The collision and streaming operators of the lattice Boltzmann equation are separated, as in the usual lattice Boltzmann models. While the purely local collision equation remains the same, we rewrite the streaming equation as a pure advection equation and discretize the resulting partial differential equation using the Lax-Wendroff scheme in time and the meshless local Petrov-Galerkin scheme based on augmented radial basis functions in space. The meshless feature of the proposed method makes it a more powerful lattice Boltzmann solver, especially for cases in which using meshes introduces significant numerical errors into the solution, or when improving the mesh quality is a complex and time-consuming process. Three well-known benchmark fluid flow problems, namely the plane Couette flow, the circular Couette flow, and the impulsively started cylinder flow, are simulated for the validation of the proposed method. Excellent agreement with analytical solutions or with previous experimental and numerical results in the literature is observed in all the simulations. Although the computational resources required for the meshless method per node are higher compared to that of the standard lattice Boltzmann method, it is shown that for cases in which the total number of nodes is significantly reduced, the present method actually outperforms the standard lattice Boltzmann method.

  7. Lattice Boltzmann model for wave propagation.

    PubMed

    Zhang, Jianying; Yan, Guangwu; Shi, Xiubo

    2009-08-01

    A lattice Boltzmann model for two-dimensional wave equation is proposed by using the higher-order moment method. The higher-order moment method is based on the solution of a series of partial differential equations obtained by using multiscale technique and Chapman-Enskog expansion. In order to obtain the lattice Boltzmann model for the wave equation with higher-order accuracy of truncation errors, we removed the second-order dissipation term and the third-order dispersion term by employing the moments up to fourth order. The reversibility in time appears owing to the absence of the second-order dissipation term and the third-order dispersion term. As numerical examples, some classical examples, such as interference, diffraction, and wave passing through a convex lens, are simulated. The numerical results show that this model can be used to simulate wave propagation.

  8. Monte Carlo variance reduction approaches for non-Boltzmann tallies

    SciTech Connect

    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.

  9. Expansion techniques for collisionless stellar dynamical simulations

    SciTech Connect

    Meiron, Yohai; Li, Baile; Holley-Bockelmann, Kelly; Spurzem, Rainer

    2014-09-10

    We present graphics processing unit (GPU) implementations of two fast force calculation methods based on series expansions of the Poisson equation. One method is the self-consistent field (SCF) method, which is a Fourier-like expansion of the density field in some basis set; the other method is the multipole expansion (MEX) method, which is a Taylor-like expansion of the Green's function. MEX, which has been advocated in the past, has not gained as much popularity as SCF. Both are particle-field methods and optimized for collisionless galactic dynamics, but while SCF is a 'pure' expansion, MEX is an expansion in just the angular part; thus, MEX is capable of capturing radial structure easily, while SCF needs a large number of radial terms. We show that despite the expansion bias, these methods are more accurate than direct techniques for the same number of particles. The performance of our GPU code, which we call ETICS, is profiled and compared to a CPU implementation. On the tested GPU hardware, a full force calculation for one million particles took ∼0.1 s (depending on expansion cutoff), making simulations with as many as 10{sup 8} particles fast for a comparatively small number of nodes.

  10. Turbulent dynamo in a collisionless plasma

    PubMed Central

    Rincon, François; Califano, Francesco; Schekochihin, Alexander A.; Valentini, Francesco

    2016-01-01

    Magnetic fields pervade the entire universe and affect the formation and evolution of astrophysical systems from cosmological to planetary scales. The generation and dynamical amplification of extragalactic magnetic fields through cosmic times (up to microgauss levels reported in nearby galaxy clusters, near equipartition with kinetic energy of plasma motions, and on scales of at least tens of kiloparsecs) are major puzzles largely unconstrained by observations. A dynamo effect converting kinetic flow energy into magnetic energy is often invoked in that context; however, extragalactic plasmas are weakly collisional (as opposed to magnetohydrodynamic fluids), and whether magnetic field growth and sustainment through an efficient turbulent dynamo instability are possible in such plasmas is not established. Fully kinetic numerical simulations of the Vlasov equation in a 6D-phase space necessary to answer this question have, until recently, remained beyond computational capabilities. Here, we show by means of such simulations that magnetic field amplification by dynamo instability does occur in a stochastically driven, nonrelativistic subsonic flow of initially unmagnetized collisionless plasma. We also find that the dynamo self-accelerates and becomes entangled with kinetic instabilities as magnetization increases. The results suggest that such a plasma dynamo may be realizable in laboratory experiments, support the idea that intracluster medium turbulence may have significantly contributed to the amplification of cluster magnetic fields up to near-equipartition levels on a timescale shorter than the Hubble time, and emphasize the crucial role of multiscale kinetic physics in high-energy astrophysical plasmas. PMID:27035981

  11. Turbulent dynamo in a collisionless plasma

    NASA Astrophysics Data System (ADS)

    Rincon, François; Califano, Francesco; Schekochihin, Alexander A.; Valentini, Francesco

    2016-04-01

    Magnetic fields pervade the entire universe and affect the formation and evolution of astrophysical systems from cosmological to planetary scales. The generation and dynamical amplification of extragalactic magnetic fields through cosmic times (up to microgauss levels reported in nearby galaxy clusters, near equipartition with kinetic energy of plasma motions, and on scales of at least tens of kiloparsecs) are major puzzles largely unconstrained by observations. A dynamo effect converting kinetic flow energy into magnetic energy is often invoked in that context; however, extragalactic plasmas are weakly collisional (as opposed to magnetohydrodynamic fluids), and whether magnetic field growth and sustainment through an efficient turbulent dynamo instability are possible in such plasmas is not established. Fully kinetic numerical simulations of the Vlasov equation in a 6D-phase space necessary to answer this question have, until recently, remained beyond computational capabilities. Here, we show by means of such simulations that magnetic field amplification by dynamo instability does occur in a stochastically driven, nonrelativistic subsonic flow of initially unmagnetized collisionless plasma. We also find that the dynamo self-accelerates and becomes entangled with kinetic instabilities as magnetization increases. The results suggest that such a plasma dynamo may be realizable in laboratory experiments, support the idea that intracluster medium turbulence may have significantly contributed to the amplification of cluster magnetic fields up to near-equipartition levels on a timescale shorter than the Hubble time, and emphasize the crucial role of multiscale kinetic physics in high-energy astrophysical plasmas.

  12. Universal collisionless transport of graphene

    NASA Astrophysics Data System (ADS)

    Link, Julia M.; Orth, Peter P.; Sheehy, Daniel E.; Schmalian, Jörg

    2016-06-01

    The impact of the electron-electron Coulomb interaction on the optical conductivity of graphene has led to a controversy that calls into question the universality of collisionless transport in this and other Dirac materials. Using a lattice calculation that avoids divergences present in previous nodal Dirac approaches, our work settles this controversy and obtains results in quantitative agreement with experiment over a wide frequency range. We also demonstrate that dimensional regularization methods agree, if the regularization of the theory in modified dimensions is correctly implemented. Tight-binding lattice and nodal Dirac theory calculations are shown to coincide at low energies even when the nonzero size of the atomic orbital wave function is included, conclusively demonstrating the universality of the optical conductivity of graphene.

  13. Physics of collisionless phase mixing

    SciTech Connect

    Tsiklauri, D.; Haruki, T.

    2008-11-15

    Previous studies of phase mixing of ion cyclotron (IC), Alfvenic, waves in the collisionless regime have established the generation of parallel electric field and hence acceleration of electrons in the regions of transverse density inhomogeneity. However, outstanding issues were left open. Here we use the 2.5 D, relativistic, fully electromagnetic particle-in-cell code and an analytic magnetohydrodynamic (MHD) formulation, to establish the following points: (i) Using the generalized Ohm's law we find that the parallel electric field is supported mostly by the electron pressure tensor, with a smaller contribution from the electron inertia term. (ii) The generated parallel electric field and the fraction of accelerated electrons are independent of the IC wave frequency remaining at a level of six orders of magnitude larger than the Dreicer value and approximately 20%, respectively. The generated parallel electric field and the fraction of accelerated electrons increase with the increase of IC wave amplitude. The generated parallel electric field seems to be independent of plasma beta, while the fraction of accelerated electrons strongly increases with the decrease of plasma beta (for plasma beta of 0.0001 the fraction of accelerated electrons can be as large as 47%). (iii) In the collisionless regime IC wave dissipation length (that is defined as the distance over which the wave damps) variation with the driving frequency shows a deviation from the analytical MHD result, which we attribute to a possible frequency dependence of the effective resistivity. (iv) Effective anomalous resistivity, inferred from our numerical simulations, is at least four orders of magnitude larger than the classical Spitzer value.

  14. a Study of One-Dimensional Nonlinear Hydromagnetic Waves and Collisionless Shocks.

    NASA Astrophysics Data System (ADS)

    Lyu, Ling-Hsiao

    A variety of nonlinear hydromagnetic waves have been observed in the collisionless solar wind plasma. A comprehensive theoretical study of nonlinear hydromagnetic waves, including rotational discontinuities and collisionless shocks, is carried out in this thesis by means of both analytical solutions and numerical simulations. Nonlinear hydromagnetic waves are governed by the interplay of the dispersion process, the collisionless dissipation process and the nonlinear steepening process. The purpose of this thesis is to understand the nonlinear behavior of hydromagnetic waves in terms of these fundamental processes. It is shown that the rotational discontinuity structures observed in the solar wind and at the magnetopause are nonlinear Alfven wave solutions of the collisionless two-fluid plasma equations. In these nonlinear wave solutions, nonlinear steepening is self-consistently balanced by dispersion. Collisionless viscous dissipation is the dominant dissipation in high Mach number shocks, which converts the flow energy into thermal energy. Hybrid simulations show that the collisionless viscous dissipation can result from the reflection and pitch-angle scattering of incoming ions flowing through the magnetic structures in the shock transition region. Collisionless dissipations in hydromagnetic shocks is governed by the magnetic structures in the shock transition region. The dissipation in turn can modify the wave structures and balance the nonlinear steepening. However, such delicate balance of the dispersion, dissipation, and nonlinear steepening has been observed to break down momentarily in high Mach number quasi-parallel shocks. This leads to the so-called cyclic shock front reformation seen in the hybrid simulations. The shock front reformation can be explained in terms of momentary off-balance between the dispersion-dissipation on the one hand and the nonlinear steepening on the other hand. The off-balance occurs after a significant fraction of incoming ions

  15. Quantum Boltzmann Machine

    NASA Astrophysics Data System (ADS)

    Kulchytskyy, Bohdan; Andriyash, Evgeny; Amin, Mohammed; Melko, Roger

    The field of machine learning has been revolutionized by the recent improvements in the training of deep networks. Their architecture is based on a set of stacked layers of simpler modules. One of the most successful building blocks, known as a restricted Boltzmann machine, is an energetic model based on the classical Ising Hamiltonian. In our work, we investigate the benefits of quantum effects on the learning capacity of Boltzmann machines by extending its underlying Hamiltonian with a transverse field. For this purpose, we employ exact and stochastic training procedures on data sets with physical origins.

  16. Navier-Stokes Dynamics by a Discrete Boltzmann Model

    NASA Technical Reports Server (NTRS)

    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.

  17. Fermion particle production in semiclassical Boltzmann-Vlasov transport theory

    SciTech Connect

    Dawson, John F.; Mihaila, Bogdan; Cooper, Fred

    2009-07-01

    We present numerical solutions of the semiclassical Boltzmann-Vlasov equation for fermion particle-antiparticle production by strong electric fields in boost-invariant coordinates in (1+1) and (3+1) dimensional QED. We compare the Boltzmann-Vlasov results with those of recent quantum field theory calculations and find good agreement. We conclude that extending the Boltzmann-Vlasov approach to the case of QCD should allow us to do a thorough investigation of how backreaction affects recent results on the dependence of the transverse momentum distribution of quarks and antiquarks on a second Casimir invariant of color SU(3)

  18. Formation of a collisionless shock wave in a multi-component plasma

    NASA Astrophysics Data System (ADS)

    Borisov, N.; Fraenz, M.

    2016-12-01

    We discuss the theory of the formation of a quasi-transverse collisionless shock wave in a multi-component plasma. We show that in a plasma with a significant admixture of cold heavy ions, a specific MHD mode can be excited. This mode plays the same role for the collisionless shock formation as a quasi-transverse fast magnetosonic wave in a plasma with one sort of ions. As a result of this mode excitation, the solar wind velocity threshold for the formation of a collisionless shock becomes significantly less than in the case of a plasma with only light ions. We derive a nonlinear differential equation which describes a shock wave when perturbations become strong enough. Based on our theoretical results, we argue that upstream of the magnetic pile-up region of Mars or Venus, an additional shock wave may be formed.

  19. Nonlocal Boltzmann theory of plasma channels

    NASA Astrophysics Data System (ADS)

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

    1983-01-01

    The mathematical framework for the Lawrence Livermore National Lab. (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.

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

    NASA Technical Reports Server (NTRS)

    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.

  1. Collisionless Reconnection and Electron Demagnetization

    NASA Astrophysics Data System (ADS)

    Scudder, J. D.

    Observable, dimensionless properties of the electron diffusion region of collisionless magnetic reconnection are motivated and benchmarked in two and three dimensional Particle In Cell (PIC) simulations as appropriate for measurements with present state of the art spacecraft. The dimensionless quantities of this paper invariably trace their origin to breaking the magnetization of the thermal electrons. Several observable proxies are also motivated for the rate of frozen flux violation and a parameter \\varLambda _{\\varPhi } that when greater than unity is associated with close proximity to the analogue of the saddle point region of 2D reconnection usually called the electron diffusion region. Analogous regions to the electron diffusion region of 2D reconnection with \\varLambda _{\\varPhi } > 1 have been identified in 3D simulations. 10-20 disjoint diffusion regions are identified and the geometrical patterns of their locations illustrated. First examples of associations between local observables based on electron demagnetization and global diagnostics (like squashing) are also presented. A by product of these studies is the development of a single spacecraft determinations of gradient scales in the plasma.

  2. Multiscale lattice Boltzmann schemes for low Mach number flows.

    PubMed

    Filippova, Olga; Schwade, Bettina; Hänel, Dieter

    2002-03-15

    A low Mach number approximation (LMNA) of the Navier-Stokes equations is widely used in numerical methods for the simulation of low-speed thermal and athermal flows. The advanced lattice Boltzmann approach (Bhatnagar-Gross-Krook) for the solution of the LMNA equations is discussed and its performance is compared with the performance of the commercial CFD code FLUENT 5.

  3. TH-E-BRE-01: A 3D Solver of Linear Boltzmann Transport Equation Based On a New Angular Discretization Method with Positivity for Photon Dose Calculation Benchmarked with Geant4

    SciTech Connect

    Hong, X; Gao, H

    2014-06-15

    Purpose: The Linear Boltzmann Transport Equation (LBTE) solved through statistical Monte Carlo (MC) method provides the accurate dose calculation in radiotherapy. This work is to investigate the alternative way for accurately solving LBTE using deterministic numerical method due to its possible advantage in computational speed from MC. Methods: Instead of using traditional spherical harmonics to approximate angular scattering kernel, our deterministic numerical method directly computes angular scattering weights, based on a new angular discretization method that utilizes linear finite element method on the local triangulation of unit angular sphere. As a Result, our angular discretization method has the unique advantage in positivity, i.e., to maintain all scattering weights nonnegative all the time, which is physically correct. Moreover, our method is local in angular space, and therefore handles the anisotropic scattering well, such as the forward-peaking scattering. To be compatible with image-guided radiotherapy, the spatial variables are discretized on the structured grid with the standard diamond scheme. After discretization, the improved sourceiteration method is utilized for solving the linear system without saving the linear system to memory. The accuracy of our 3D solver is validated using analytic solutions and benchmarked with Geant4, a popular MC solver. Results: The differences between Geant4 solutions and our solutions were less than 1.5% for various testing cases that mimic the practical cases. More details are available in the supporting document. Conclusion: We have developed a 3D LBTE solver based on a new angular discretization method that guarantees the positivity of scattering weights for physical correctness, and it has been benchmarked with Geant4 for photon dose calculation.

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

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

    We present a L2-stability theory of the Vlasov-Maxwell-Boltzmann system for the two-species collisional plasma. We show that in a perturbative regime of a global Maxwellian, the L2-distance between two strong solutions can be controlled by that between initial data in a Lipschitz manner. Our stability result extends earlier results [Ha, S.-Y. and Xiao, Q.-H., "A revisiting to the L2-stability theory of the Boltzmann equation near global Maxwellians," (submitted) and Ha, S.-Y., Yang, X.-F., and Yun, S.-B., "L2 stability theory of the Boltzmann equation near a global Maxwellian," Arch. Ration. Mech. Anal. 197, 657-688 (2010)] on the L2-stability of the Boltzmann equation to the Boltzmann equation coupled with self-consistent external forces. As a direct application of our stability result, we show that classical solutions in Duan et al. ["Optimal large-time behavior of the Vlasov-Maxwell-Boltzmann system in the whole space," Commun. Pure Appl. Math. 24, 1497-1546 (2011)] and Guo ["The Vlasov-Maxwell-Boltzmann system near Maxwellians," Invent. Math. 153(3), 593-630 (2003)] satisfy a uniform L2-stability estimate. This is the first result on the L2-stability of the Boltzmann equation coupled with self-consistent field equations in three dimensions.

  5. Kinetic simulaitons of astrophysical collisionless shocks (Invited)

    NASA Astrophysics Data System (ADS)

    Spitkovsky, A.

    2009-12-01

    Nonthermal emission from a variety of astrophysical sources, including relativistic jets and supernova remnants, is often attributed to collisionless shocks. These shocks are inferred to accelerate particles and in some cases strongly amplify magnetic fields. How this happens remains to be clarified through both theory and observations. In this talk, I will present a summary of recent progress in kinetic modeling of collisionless shocks using particle-in-cell simulations. I will discuss the internal structure of relativistic and non-relativistic shocks, concentrating on the conditions necessary for particle acceleration. Large-scale shock simulations show ab-initio Fermi acceleration of particles from the thermal pool to power-law distributions and can set constraints on the shock acceleration efficiency and geometry. Other results that will be discussed include the amplification of magnetic fields by accelerated particles through streaming instabilities, and the electron-ion temperature equilibration in collisionless shocks.

  6. Boltzmann-type control of opinion consensus through leaders

    PubMed Central

    Albi, G.; Pareschi, L.; Zanella, M.

    2014-01-01

    The study of formations and dynamics of opinions leading to the so-called opinion consensus is one of the most important areas in mathematical modelling of social sciences. Following the Boltzmann-type control approach recently introduced by the first two authors, we consider a group of opinion leaders who modify their strategy accordingly to an objective functional with the aim of achieving opinion consensus. The main feature of the Boltzmann-type control is that, owing to an instantaneous binary control formulation, it permits the minimization of the cost functional to be embedded into the microscopic leaders’ interactions of the corresponding Boltzmann equation. The related Fokker–Planck asymptotic limits are also derived, which allow one to give explicit expressions of stationary solutions. The results demonstrate the validity of the Boltzmann-type control approach and the capability of the leaders’ control to strategically lead the followers’ opinion. PMID:25288820

  7. Boltzmann-type control of opinion consensus through leaders.

    PubMed

    Albi, G; Pareschi, L; Zanella, M

    2014-11-13

    The study of formations and dynamics of opinions leading to the so-called opinion consensus is one of the most important areas in mathematical modelling of social sciences. Following the Boltzmann-type control approach recently introduced by the first two authors, we consider a group of opinion leaders who modify their strategy accordingly to an objective functional with the aim of achieving opinion consensus. The main feature of the Boltzmann-type control is that, owing to an instantaneous binary control formulation, it permits the minimization of the cost functional to be embedded into the microscopic leaders' interactions of the corresponding Boltzmann equation. The related Fokker-Planck asymptotic limits are also derived, which allow one to give explicit expressions of stationary solutions. The results demonstrate the validity of the Boltzmann-type control approach and the capability of the leaders' control to strategically lead the followers' opinion.

  8. Laser-Driven Magnetized Collisionless Shocks

    NASA Astrophysics Data System (ADS)

    Schaeffer, Derek

    2016-10-01

    Collisionless shocks - supersonic plasma flows in which the interaction length scale is much shorter than the collisional mean free path - are common phenomena in space and astrophysical systems, including the solar wind, coronal mass ejections, supernovae remnants, and the jets of active galactic nuclei. These systems have been studied for decades, and in many the shocks are believed to efficiently accelerate particles to some of the highest observed energies. Only recently, however, have laser and diagnostic capabilities evolved sufficiently to allow the detailed study in the laboratory of the microphysics of collisionless shocks over a large parameter regime. We present experiments that demonstrate the formation of collisionless shocks utilizing the Phoenix laser laboratory and the LArge Plasma Device (LAPD) at UCLA. We also show recent observations of magnetized collisionless shocks on the Omega EP laser facility that extend the LAPD results to higher laser energy, background magnetic field, and ambient plasma density, and that may be relevant to recent experiments on strongly driven magnetic reconnection. Lastly, we discuss a new experimental regime for shocks with results from high-repetition (1 Hz), volumetric laser-driven measurements on the LAPD. These large parameter scales allow us to probe the formation physics of collisionless shocks over several Alfvénic Mach numbers (MA), from shock precursors (magnetosonic solitons with MA < 1) to subcritical (MA < 3) and supercritical (MA > 3) shocks. The results show that collisionless shocks can be generated using a laser-driven magnetic piston, and agree well with both 2D and 3D hybrid and PIC simulations. Additionally, using radiation-hydrodynamic modeling and measurements from multiple diagnostics, the different shock regimes are characterized with dimensionless formation parameters, allowing us to place disparate experiments in a common and predictive framework.

  9. Collisionless damping of dust-acoustic waves in a charge varying dusty plasma with nonextensive ions

    SciTech Connect

    Amour, Rabia; Tribeche, Mouloud

    2014-12-15

    The charge variation induced nonlinear dust-acoustic wave damping in a charge varying dusty plasma with nonextensive ions is considered. It is shown that the collisionless damping due to dust charge fluctuation causes the nonlinear dust acoustic wave propagation to be described by a damped Korteweg-de Vries (dK-dV) equation the coefficients of which depend sensitively on the nonextensive parameter q. The damping term, solely due to the dust charge variation, is affected by the ion nonextensivity. For the sake of completeness, the possible effects of nonextensivity and collisionless damping on weakly nonlinear wave packets described by the dK-dV equation are succinctly outlined by deriving a nonlinear Schrödinger-like equation with a complex nonlinear coefficient.

  10. Physics of collisionless shocks: theory and simulation

    NASA Astrophysics Data System (ADS)

    Stockem Novo, A.; Bret, A.; Fonseca, R. A.; Silva, L. O.

    2016-01-01

    Collisionless shocks occur in various fields of physics. In the context of space and astrophysics they have been investigated for many decades. However, a thorough understanding of shock formation and particle acceleration is still missing. Collisionless shocks can be distinguished into electromagnetic and electrostatic shocks. Electromagnetic shocks are of importance mainly in astrophysical environments and they are mediated by the Weibel or filamentation instability. In such shocks, charged particles gain energy by diffusive shock acceleration. Electrostatic shocks are characterized by a strong electrostatic field, which leads to electron trapping. Ions are accelerated by reflection from the electrostatic potential. Shock formation and particle acceleration will be discussed in theory and simulations.

  11. Lattice Boltzmann model for traffic flow.

    PubMed

    Meng, Jianping; Qian, Yuehong; Li, Xingli; Dai, Shiqiang

    2008-03-01

    Mesoscopic models for traffic flows are usually difficult to be employed because of the appearance of integro-differential terms in the models. In this work, a lattice Boltzmann model for traffic flow is introduced on the basis of the existing kinetics models by using the Bhatnagar-Gross-Krook-type approximation interaction term in the Boltzmann equation and discretizing it in time and phase space. The so-obtained model is simple while the relevant parameters are physically meaningful. Together with its discrete feature, the model can be easily used to investigate numerically the behavior of traffic flows. In consequence, the macroscopic dynamics of the model is derived using the Taylor and Chapman-Enskog expansions. For validating the model, numerical simulations are conducted under the periodic boundary conditions. It is found that the model could reasonably reproduce the fundamental diagram. Moreover, certain interesting physical phenomena can be captured by the model, such as the metastability and stop-and-go phenomena.

  12. Simplex-in-cell technique for collisionless plasma simulations

    NASA Astrophysics Data System (ADS)

    Kates-Harbeck, Julian; Totorica, Samuel; Zrake, Jonathan; Abel, Tom

    2016-01-01

    We extend the simplex-in-cell (SIC) technique recently introduced in the context of collisionless dark matter fluids [1,2] to the case of collisionless plasmas. The six-dimensional phase space distribution function f (x , v) is represented by an ensemble of three-dimensional manifolds, which we refer to as sheets. The electric potential field is obtained by solving the Poisson equation on a uniform mesh, where the charge density is evaluated by a spatial projection of the phase space sheets. The SIC representation of phase space density facilitates robust, high accuracy numerical evolution of the Vlasov-Poisson system using significantly fewer tracer particles than comparable particle-in-cell (PIC) approaches by reducing the numerical shot-noise associated with the latter. We introduce the SIC formulation and describe its implementation in a new code, which we validate using standard test problems including plasma oscillations, Landau damping, and two stream instabilities in one dimension. Merits of the new scheme are shown to include higher accuracy and faster convergence rates in the number of particles. We finally motivate and outline the efficient application of SIC to higher dimensional problems.

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

    PubMed

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

    2014-12-26

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

  14. Collisionless Electrostatic Shock Modeling and Simulation

    DTIC Science & Technology

    2016-10-21

    effects difficult for theoretical prediction, • Wave Dispersion • Wave-Particle Interaction • Various Wave Dissipation Mechanisms – Shock structure is an...unlimited. PA#16490 Details on Shock Physics Sources of Collisionless Wave Dissipation – Landau Damping: ● A form of wave-particle resonance. Resonant

  15. Transition from Collisionless to Collisional MRI

    SciTech Connect

    Prateek Sharma; Gregory W. Hammett; Eliot Quataert

    2003-07-24

    Recent calculations by Quataert et al. (2002) found that the growth rates of the magnetorotational instability (MRI) in a collisionless plasma can differ significantly from those calculated using MHD. This can be important in hot accretion flows around compact objects. In this paper, we study the transition from the collisionless kinetic regime to the collisional MHD regime, mapping out the dependence of the MRI growth rate on collisionality. A kinetic closure scheme for a magnetized plasma is used that includes the effect of collisions via a BGK operator. The transition to MHD occurs as the mean free path becomes short compared to the parallel wavelength 2*/k(sub)||. In the weak magnetic field regime where the Alfven and MRI frequencies w are small compared to the sound wave frequency k(sub)||c(sub)0, the dynamics are still effectively collisionless even if omega << v, so long as the collision frequency v << k(sub)||c(sub)0; for an accretion flow this requires n less than or approximately equal to *(square root of b). The low collisionality regime not only modifies the MRI growth rate, but also introduces collisionless Landau or Barnes damping of long wavelength modes, which may be important for the nonlinear saturation of the MRI.

  16. Learning thermodynamics with Boltzmann machines

    NASA Astrophysics Data System (ADS)

    Torlai, Giacomo; Melko, Roger G.

    2016-10-01

    A Boltzmann machine is a stochastic neural network that has been extensively used in the layers of deep architectures for modern machine learning applications. In this paper, we develop a Boltzmann machine that is capable of modeling thermodynamic observables for physical systems in thermal equilibrium. Through unsupervised learning, we train the Boltzmann machine on data sets constructed with spin configurations importance sampled from the partition function of an Ising Hamiltonian at different temperatures using Monte Carlo (MC) methods. The trained Boltzmann machine is then used to generate spin states, for which we compare thermodynamic observables to those computed by direct MC sampling. We demonstrate that the Boltzmann machine can faithfully reproduce the observables of the physical system. Further, we observe that the number of neurons required to obtain accurate results increases as the system is brought close to criticality.

  17. Low-frequency instabilities of collisionless plasma and the 16-moment approximation

    SciTech Connect

    Dzhalilov, N. S. Kuznetsov, V. D.

    2013-12-15

    Using the 16-moment equations that take into account heat fluxes in anisotropic collisionless plasma, the properties of magnetohydrodynamic (MHD) instabilities are investigated. For all instabilities occurring in the MHD approach (the normal incompressible firehose instability, the second compressible almost longitudinal firehose instability, and the almost transverse mirror instability of slow magnetosonic modes, as well as thermal instability caused by the heat flux directed along the magnetic field), their kinetic analogs are considered. The kinetic dispersion relation in the low-frequency range in the vicinity of the ion thermal velocity is analyzed. The flow of plasma ions along the magnetic field is taken into account. The thresholds and instability growth rates obtained in the MHD and kinetic approaches are found to be in good agreement. This indicates that the 16-moment MHD equations adequately describe the dynamics of collisionless plasma.

  18. Investigation of the kinetic model equations.

    PubMed

    Liu, Sha; Zhong, Chengwen

    2014-03-01

    Currently the Boltzmann equation and its model equations are widely used in numerical predictions for dilute gas flows. The nonlinear integro-differential Boltzmann equation is the fundamental equation in the kinetic theory of dilute monatomic gases. By replacing the nonlinear fivefold collision integral term by a nonlinear relaxation term, its model equations such as the famous Bhatnagar-Gross-Krook (BGK) equation are mathematically simple. Since the computational cost of solving model equations is much less than that of solving the full Boltzmann equation, the model equations are widely used in predicting rarefied flows, multiphase flows, chemical flows, and turbulent flows although their predictions are only qualitatively right for highly nonequilibrium flows in transitional regime. In this paper the differences between the Boltzmann equation and its model equations are investigated aiming at giving guidelines for the further development of kinetic models. By comparing the Boltzmann equation and its model equations using test cases with different nonequilibrium types, two factors (the information held by nonequilibrium moments and the different relaxation rates of high- and low-speed molecules) are found useful for adjusting the behaviors of modeled collision terms in kinetic regime. The usefulness of these two factors are confirmed by a generalized model collision term derived from a mathematical relation between the Boltzmann equation and BGK equation that is also derived in this paper. After the analysis of the difference between the Boltzmann equation and the BGK equation, an attempt at approximating the collision term is proposed.

  19. Collisionless Spectral Kinetic Simulation of Ideal Multipole Resonance Probe

    NASA Astrophysics Data System (ADS)

    Gong, Junbo; Wilczek, Sebastian; Szeremley, Daniel; Oberrath, Jens; Eremin, Denis; Dobrygin, Wladislaw; Schilling, Christian; Friedrichs, Michael; Brinkmann, Ralf Peter

    2016-09-01

    Active Plasma Resonance Spectroscopy denotes a class of industry-compatible plasma diagnostic methods which utilize the natural ability of plasmas to resonate on or near the electron plasma frequency ωpe. One particular realization of APRS with a high degree of geometric and electric symmetry is the Multipole Resonance Probe (MRP). The Ideal MRP(IMRP) is an even more symmetric idealization which is suited for theoretical investigations. In this work, a spectral kinetic scheme is presented to investigate the behavior of the IMRP in the low pressure regime. However, due to the velocity difference, electrons are treated as particles whereas ions are only considered as stationary background. In the scheme, the particle pusher integrates the equations of motion for the studied particles, the Poisson solver determines the electric field at each particle position. The proposed method overcomes the limitation of the cold plasma model and covers kinetic effects like collisionless damping.

  20. The Poisson-Helmholtz-Boltzmann model.

    PubMed

    Bohinc, K; Shrestha, A; May, S

    2011-10-01

    We present a mean-field model of a one-component electrolyte solution where the mobile ions interact not only via Coulomb interactions but also through a repulsive non-electrostatic Yukawa potential. Our choice of the Yukawa potential represents a simple model for solvent-mediated interactions between ions. We employ a local formulation of the mean-field free energy through the use of two auxiliary potentials, an electrostatic and a non-electrostatic potential. Functional minimization of the mean-field free energy leads to two coupled local differential equations, the Poisson-Boltzmann equation and the Helmholtz-Boltzmann equation. Their boundary conditions account for the sources of both the electrostatic and non-electrostatic interactions on the surface of all macroions that reside in the solution. We analyze a specific example, two like-charged planar surfaces with their mobile counterions forming the electrolyte solution. For this system we calculate the pressure between the two surfaces, and we analyze its dependence on the strength of the Yukawa potential and on the non-electrostatic interactions of the mobile ions with the planar macroion surfaces. In addition, we demonstrate that our mean-field model is consistent with the contact theorem, and we outline its generalization to arbitrary interaction potentials through the use of a Laplace transformation.

  1. Large-amplitude hydromagnetic waves in collisionless relativistic plasma - Exact solution for the fast-mode magnetoacoustic wave

    NASA Technical Reports Server (NTRS)

    Barnes, A.

    1983-01-01

    An exact nonlinear solution is found to the relativistic kinetic and electrodynamic equations (in their hydromagnetic limit) that describes the large-amplitude fast-mode magnetoacoustic wave propagating normal to the magnetic field in a collisionless, previously uniform plasma. It is pointed out that a wave of this kind will be generated by transverse compression of any collisionless plasma. The solution is in essence independent of the detailed form of the particle momentum distribution functions. The solution is obtained, in part, through the method of characteristics; the wave exhibits the familiar properties of steepening and shock formation. A detailed analysis is given of the ultrarelativistic limit of this wave.

  2. Lattice Boltzmann model for numerical relativity

    NASA Astrophysics Data System (ADS)

    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.

  3. Lattice Boltzmann model for numerical relativity.

    PubMed

    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.

  4. Study of astrophysical collisionless shocks at NIF

    NASA Astrophysics Data System (ADS)

    Park, Hye-Sook; Higginson, D. P.; Huntington, C. M.; Pollock, B. B.; Remington, B. A.; Rinderknecht, H.; Ross, J. S.; Ryutov, D. D.; Swadling, G. F.; Wilks, S. C.; Sakawa, Y.; Spitkovsky, A.; Petrasso, R.; Li, C. K.; Zylstra, A. B.; Lamb, D.; Tzeferacos, P.; Gregori, G.; Meinecke, J.; Manuel, M.; Froula, D.; Fiuza, F.

    2016-10-01

    High Mach number astrophysical plasmas can create collisionless shocks via plasma instabilities and turbulence that are responsible for magnetic field generations and cosmic ray acceleration. Recently, many laboratory experiments were successful to observe the Weibel instabilities and self-generated magnetic fields using high-power lasers that generated interpenetrating plasma flows. In order to create a fully formed shock, a series of NIF experiments have begun. The characteristics of flow interaction have been diagnosed by the neutrons and protons generated via beam-beam deuteron interactions, the x-ray emission from the hot plasmas and proton probe generated by imploding DHe3 capsules. This paper will present the latest results from the NIF collisionless shock experiments. Prepared by LLNL under Contract DE-AC52-07NA27344.

  5. Finite-dimensional collisionless kinetic theory

    NASA Astrophysics Data System (ADS)

    Burby, J. W.

    2017-03-01

    A collisionless kinetic plasma model may often be cast as an infinite-dimensional noncanonical Hamiltonian system. I show that, when this is the case, the model can be discretized in space and particles while preserving its Hamiltonian structure, thereby producing a finite-dimensional Hamiltonian system that approximates the original kinetic model. I apply the general theory to two example systems: the relativistic Vlasov-Maxwell system with spin and a gyrokinetic Vlasov-Maxwell system.

  6. Information geometry of Boltzmann machines.

    PubMed

    Amari, S; Kurata, K; Nagaoka, H

    1992-01-01

    A Boltzmann machine is a network of stochastic neurons. The set of all the Boltzmann machines with a fixed topology forms a geometric manifold of high dimension, where modifiable synaptic weights of connections play the role of a coordinate system to specify networks. A learning trajectory, for example, is a curve in this manifold. It is important to study the geometry of the neural manifold, rather than the behavior of a single network, in order to know the capabilities and limitations of neural networks of a fixed topology. Using the new theory of information geometry, a natural invariant Riemannian metric and a dual pair of affine connections on the Boltzmann neural network manifold are established. The meaning of geometrical structures is elucidated from the stochastic and the statistical point of view. This leads to a natural modification of the Boltzmann machine learning rule.

  7. Perfect entropy functions of the Lattice Boltzmann method

    NASA Astrophysics Data System (ADS)

    Karlin, I. V.; Ferrante, A.; Öttinger, H. C.

    1999-07-01

    In this letter, we derive entropy functions whose local equilibria are suitable to recover the Navier-Stokes equations in the framework of the Lattice Boltzmann method. For the two-dimensional nine-velocity lattice we demonstrate that such an entropy function is unique, and that the expansion of the corresponding local equilibrium is the well-known local equilibrium of Y. H. Qian et al. (Europhys. Lett., 17 (1992) 479). Based on the knowledge of entropy functions, we introduce a new version of the Lattice Boltzmann method with an H-theorem built in.

  8. The Boltzmann- and the Klimontovich formalisms with reference to turbulence resolution. [in fluid flow

    NASA Technical Reports Server (NTRS)

    Tsuge, S.

    1974-01-01

    The Navier-Stokes equation expressed in terms of Klimontovich microscopic density is compared with the conventional one based on the Boltzmann formalism. Their difference is described by the two-point BBGKY equation. An implication is given that the averaging procedure from the Klimontovich to the Boltzmann formalism wipes out not only thermal agitation, but also a certain hydrodynamic turbulence. This is substantiated by agreement with measurements due to Schubauer and Klebanoff.

  9. Lattice Boltzmann method for linear oscillatory noncontinuum flows

    NASA Astrophysics Data System (ADS)

    Shi, Yong; Yap, Ying Wan; Sader, John E.

    2014-03-01

    Oscillatory gas flows are commonly generated by micro- and nanoelectromechanical systems. Due to their small size and high operating frequencies, these devices often produce noncontinuum gas flows. Theoretical analysis of such flows requires solution of the unsteady Boltzmann equation, which can present a formidable challenge. In this article, we explore the applicability of the lattice Boltzmann (LB) method to such linear oscillatory noncontinuum flows; this method is derived from the linearized Boltzmann Bhatnagar-Gross-Krook (BGK) equation. We formulate four linearized LB models in the frequency domain, based on Gaussian-Hermite quadratures of different algebraic precision (AP). The performance of each model is assessed by comparison to high-accuracy numerical solutions to the linearized Boltzmann-BGK equation for oscillatory Couette flow. The numerical results demonstrate that high even-order LB models provide superior performance over the greatest noncontinuum range. Our results also highlight intrinsic deficiencies in the current LB framework, which is incapable of capturing noncontinuum behavior at high oscillation frequencies, regardless of quadrature AP and the Knudsen number.

  10. Einstein and Boltzmann

    NASA Astrophysics Data System (ADS)

    Nauenberg, Michael

    2005-03-01

    In 1916 Einstein published a remarkable paper entitled ``On the Quantum Theory of Radiation''ootnotetextA. Einstein ``On the Quantum theory of Radiation,'' Phys. Zeitschrift 18 (1917) 121. First printed in Mitteilungender Physikalischen Gesellschaft Zurich. No 18, 1916. Translated into English in Van der Waerden ``Sources of Quantum Mechanics'' (North Holland 1967) pp. 63-77. in which he obtained Planck's formula for black-body radiation by introducing a new statistical hypothesis for the emmision and absorption of electromagneic radiation based on discrete bundles of energy and momentum which are now called photons. Einstein radiation theory replaced Maxwell's classical theory by a stochastic process which, when properly interpreted, also gives well known statistics of massless particles with even spin.^2 This quantum distribution, however, was not discovered by Einstein but was communicated to him by Bose in 1924. Like Boltzmann's classical counterpart, Einstein's statistical theory leads to an irreversible approach to thermal equilibrium, but because this violates time reversal, Einstein theory can not be regarded as a fundamental theory of physical process.ootnotetextM. Nauenberg ``The evolution of radiation towards thermal equilibrium: A soluble model which illustrates the foundations of statistical mechanics,'' American Journal of Physics 72 (2004) 313 Apparently Einstein and his contemporaries were unaware of this problem, and even today this problem is ignored in contemporary discussions of Einstein's treatment of the black-body spectrum.

  11. Bifurcation Theory of the Transition to Collisionless Ion-temperature-gradient-driven Plasma Turbulence

    SciTech Connect

    Kolesnikov, R.A.; Krommes, J.A.

    2005-09-22

    The collisionless limit of the transition to ion-temperature-gradient-driven plasma turbulence is considered with a dynamical-systems approach. The importance of systematic analysis for understanding the differences in the bifurcations and dynamics of linearly damped and undamped systems is emphasized. A model with ten degrees of freedom is studied as a concrete example. A four-dimensional center manifold (CM) is analyzed, and fixed points of its dynamics are identified and used to predict a ''Dimits shift'' of the threshold for turbulence due to the excitation of zonal flows. The exact value of that shift in terms of physical parameters is established for the model; the effects of higher-order truncations on the dynamics are noted. Multiple-scale analysis of the CM equations is used to discuss possible effects of modulational instability on scenarios for the transition to turbulence in both collisional and collisionless cases.

  12. Entropic Lattice Boltzmann Algorithms for Turbulence

    NASA Astrophysics Data System (ADS)

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

    2007-11-01

    For turbulent flows in non-trivial geometry, the scaling of CFD codes (now necessarily non-pseudo spectral) quickly saturate with the number of PEs. By projecting into a lattice kinetic phase space, the turbulent dynamics are simpler and much easier to solve since the underlying kinetic equation has only local algebraic nonlinearities in the macroscopic variables with simple linear kinetic advection. To achieve arbitrary high Reynolds number, a discrete H-theorem constraint is imposed on the collision operator resulting in an entropic lattice Boltzmann (ELB) algorithm that is unconditionally stable and scales almost perfectly with PE's on any supercomputer architecture. At this mesoscopic level, there are various kinetic lattices (ELB-27, ELB-19, ELB-15) which will recover the Navier-Stokes equation to leading order in the Chapman-Enskog asymptotics. We comment on the morphology of turbulence and its correlation to the rate of change of enstrophy as well as simulations on 1600^3 grids.

  13. Analysis of multifragmentation in a Boltzmann-Langevin approach

    SciTech Connect

    Zhang, F.; Suraud, E.

    1995-06-01

    By using the Boltzmann-Langevin equation, which incorporates dynamical fluctuations beyond usual transport theories, we simulate the {sup 40}Ca+{sup 40}Ca reaction system at different beam energies 20, 60, and 90 MeV/nucleon for different impact parameters. Dynamical fluctuations become larger and larger with increasing bombarding energy and the system can reach densities corresponding to the unstable region of the nuclear matter equation of state at energies above 60 MeV/nucleon. By coupling the Boltzmann-Langevin equation with a coalescence model in the late stages of the reaction, we obtain the distribution of the intermediate mass fragments in each event. From the correlation analysis of these fragments, we recover some trends of recent multifragmentation data. A critical behavior analysis is also provided.

  14. Conservative deterministic spectral Boltzmann solver near the grazing collisions limit

    NASA Astrophysics Data System (ADS)

    Haack, Jeffrey R.; Gamba, Irene M.

    2012-11-01

    We present new results building on the conservative deterministic spectral method for the space homogeneous Boltzmann equation developed by Gamba and Tharkabhushaman. This approach is a two-step process that acts on the weak form of the Boltzmann equation, and uses the machinery of the Fourier transform to reformulate the collisional integral into a weighted convolution in Fourier space. A constrained optimization problem is solved to preserve the mass, momentum, and energy of the resulting distribution. Within this framework we have extended the formulation to the case of more general case of collision operators with anisotropic scattering mechanisms, which requires a new formulation of the convolution weights. We also derive the grazing collisions limit for the method, and show that it is consistent with the Fokker-Planck-Landau equations as the grazing collisions parameter goes to zero.

  15. Collisionless shocks in the heliosphere: A tutorial review

    NASA Technical Reports Server (NTRS)

    Stone, Robert G. (Editor); Tsurutani, Bruce T. (Editor)

    1985-01-01

    An update is presented on current knowledge of collisionless shocks in the heliosphere. The individual papers address: a quarter century of collisionless shock research, some macroscopic properties of shock waves in the heliosphere, microinstabilities and anomalous transport, and acceleration of energetic particles.

  16. L{sup 2}-stability of the Vlasov-Maxwell-Boltzmann system near global Maxwellians

    SciTech Connect

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

    2013-12-15

    We present a L{sup 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{sup 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{sup 2}-stability theory of the Boltzmann equation near global Maxwellians,” (submitted) and Ha, S.-Y., Yang, X.-F., and Yun, S.-B., “L{sup 2} stability theory of the Boltzmann equation near a global Maxwellian,” Arch. Ration. Mech. Anal. 197, 657–688 (2010)] on the L{sup 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{sup 2}-stability estimate. This is the first result on the L{sup 2}-stability of the Boltzmann equation coupled with self-consistent field equations in three dimensions.

  17. Poisson-Boltzmann-Nernst-Planck model

    SciTech Connect

    Zheng Qiong; Wei Guowei

    2011-05-21

    The Poisson-Nernst-Planck (PNP) model is based on a mean-field approximation of ion interactions and continuum descriptions of concentration and electrostatic potential. It provides qualitative explanation and increasingly quantitative predictions of experimental measurements for the ion transport problems in many areas such as semiconductor devices, nanofluidic systems, and biological systems, despite many limitations. While the PNP model gives a good prediction of the ion transport phenomenon for chemical, physical, and biological systems, the number of equations to be solved and the number of diffusion coefficient profiles to be determined for the calculation directly depend on the number of ion species in the system, since each ion species corresponds to one Nernst-Planck equation and one position-dependent diffusion coefficient profile. In a complex system with multiple ion species, the PNP can be computationally expensive and parameter demanding, as experimental measurements of diffusion coefficient profiles are generally quite limited for most confined regions such as ion channels, nanostructures and nanopores. We propose an alternative model to reduce number of Nernst-Planck equations to be solved in complex chemical and biological systems with multiple ion species by substituting Nernst-Planck equations with Boltzmann distributions of ion concentrations. As such, we solve the coupled Poisson-Boltzmann and Nernst-Planck (PBNP) equations, instead of the PNP equations. The proposed PBNP equations are derived from a total energy functional by using the variational principle. We design a number of computational techniques, including the Dirichlet to Neumann mapping, the matched interface and boundary, and relaxation based iterative procedure, to ensure efficient solution of the proposed PBNP equations. Two protein molecules, cytochrome c551 and Gramicidin A, are employed to validate the proposed model under a wide range of bulk ion concentrations and external

  18. Poisson-Boltzmann-Nernst-Planck model

    NASA Astrophysics Data System (ADS)

    Zheng, Qiong; Wei, Guo-Wei

    2011-05-01

    The Poisson-Nernst-Planck (PNP) model is based on a mean-field approximation of ion interactions and continuum descriptions of concentration and electrostatic potential. It provides qualitative explanation and increasingly quantitative predictions of experimental measurements for the ion transport problems in many areas such as semiconductor devices, nanofluidic systems, and biological systems, despite many limitations. While the PNP model gives a good prediction of the ion transport phenomenon for chemical, physical, and biological systems, the number of equations to be solved and the number of diffusion coefficient profiles to be determined for the calculation directly depend on the number of ion species in the system, since each ion species corresponds to one Nernst-Planck equation and one position-dependent diffusion coefficient profile. In a complex system with multiple ion species, the PNP can be computationally expensive and parameter demanding, as experimental measurements of diffusion coefficient profiles are generally quite limited for most confined regions such as ion channels, nanostructures and nanopores. We propose an alternative model to reduce number of Nernst-Planck equations to be solved in complex chemical and biological systems with multiple ion species by substituting Nernst-Planck equations with Boltzmann distributions of ion concentrations. As such, we solve the coupled Poisson-Boltzmann and Nernst-Planck (PBNP) equations, instead of the PNP equations. The proposed PBNP equations are derived from a total energy functional by using the variational principle. We design a number of computational techniques, including the Dirichlet to Neumann mapping, the matched interface and boundary, and relaxation based iterative procedure, to ensure efficient solution of the proposed PBNP equations. Two protein molecules, cytochrome c551 and Gramicidin A, are employed to validate the proposed model under a wide range of bulk ion concentrations and external

  19. New Expression for Collisionless Magnetic Reconnection Rate

    NASA Technical Reports Server (NTRS)

    Klimas, Alexander J.

    2014-01-01

    For 2D, symmetric, anti-parallel, collisionless magnetic reconnection, a new expression for the reconnection rate in the electron diffusion region is introduced. It is shown that this expression can be derived in just a few simple steps from a physically intuitive starting point; the derivation is given in its entirety and the validity of each step is confirmed. The predictions of this expression are compared to the results of several long-duration, open-boundary PIC reconnection simulations to demonstrate excellent agreement.

  20. Cascaded proton acceleration by collisionless electrostatic shock

    SciTech Connect

    Xu, T. J.; Shen, B. F. E-mail: zhxm@siom.ac.cn; Zhang, X. M. E-mail: zhxm@siom.ac.cn; Yi, L. Q.; Wang, W. P.; Zhang, L. G.; Xu, J. C.; Zhao, X. Y.; Shi, Y.; Liu, C.; Pei, Z. K.

    2015-07-15

    A new scheme for proton acceleration by cascaded collisionless electrostatic shock (CES) is proposed. By irradiating a foil target with a moderate high-intensity laser beam, a stable CES field can be induced, which is employed as the accelerating field for the booster stage of proton acceleration. The mechanism is studied through simulations and theoretical analysis, showing that a 55 MeV seed proton beam can be further accelerated to 265 MeV while keeping a good energy spread. This scheme offers a feasible approach to produce proton beams with energy of hundreds of MeV by existing available high-intensity laser facilities.

  1. New expression for collisionless magnetic reconnection rate

    SciTech Connect

    Klimas, Alex

    2015-04-15

    For 2D, symmetric, anti-parallel, collisionless magnetic reconnection, new expressions for the reconnection rate in the electron diffusion region are introduced. It is shown that these expressions can be derived in just a few simple steps from a physically intuitive starting point; the derivations are given in their entirety, and the validity of each step is confirmed. The predictions of these expressions are compared to the results of several long-duration, open-boundary particle-in-cell reconnection simulations to demonstrate excellent agreement.

  2. Diamagnetic boundary layers - A kinetic theory. [for collisionless magnetized plasmas

    NASA Technical Reports Server (NTRS)

    Lemaire, J.; Burlaga, L. F.

    1976-01-01

    A kinetic theory is presented for boundary layers associated with MHD tangential 'discontinuities' in a collisionless magnetized plasma, such as those observed in the solar wind. The theory consists of finding self-consistent solutions of Vlasov's equation and Maxwell's equation for stationary one-dimensional boundary layers separating two Maxwellian plasma states. Layers in which the current is carried by electrons are found to have a thickness of the order of a few electron gyroradii, but the drift speed of the current-carrying electrons is found to exceed the Alfven speed, and accordingly such layers are not stable. Several types of layers in which the current is carried by protons are discussed; in particular, cases are considered in which the magnetic-field intensity, direction, or both, changed across the layer. In every case, the thickness was of the order of a few proton gyroradii, and the field changed smoothly, although the characteristics depended somewhat on the boundary conditions. The drift speed was always less than the Alfven speed, consistent with stability of such structures. These results are consistent with observations of boundary layers in the solar wind near 1 AU.

  3. A note on Boltzmann brains

    NASA Astrophysics Data System (ADS)

    Nomura, Yasunori

    2015-10-01

    Understanding the observed arrow of time is equivalent, under general assumptions, to explaining why Boltzmann brains do not overwhelm ordinary observers. It is usually thought that this provides a condition on the decay rate of every cosmologically accessible de Sitter vacuum, and that this condition is determined by the production rate of Boltzmann brains calculated using semiclassical theory built on each such vacuum. We argue, based on a recently developed picture of microscopic quantum gravitational degrees of freedom, that this thinking needs to be modified. In particular, depending on the structure of the fundamental theory, the decay rate of a de Sitter vacuum may not have to satisfy any condition except for the one imposed by the Poincaré recurrence. The framework discussed here also addresses the question of whether a Minkowski vacuum may produce Boltzmann brains.

  4. Temperature based Restricted Boltzmann Machines

    NASA Astrophysics Data System (ADS)

    Li, Guoqi; Deng, Lei; Xu, Yi; Wen, Changyun; Wang, Wei; Pei, Jing; Shi, Luping

    2016-01-01

    Restricted Boltzmann machines (RBMs), which apply graphical models to learning probability distribution over a set of inputs, have attracted much attention recently since being proposed as building blocks of multi-layer learning systems called deep belief networks (DBNs). Note that temperature is a key factor of the Boltzmann distribution that RBMs originate from. However, none of existing schemes have considered the impact of temperature in the graphical model of DBNs. In this work, we propose temperature based restricted Boltzmann machines (TRBMs) which reveals that temperature is an essential parameter controlling the selectivity of the firing neurons in the hidden layers. We theoretically prove that the effect of temperature can be adjusted by setting the parameter of the sharpness of the logistic function in the proposed TRBMs. The performance of RBMs can be improved by adjusting the temperature parameter of TRBMs. This work provides a comprehensive insights into the deep belief networks and deep learning architectures from a physical point of view.

  5. Temperature based Restricted Boltzmann Machines.

    PubMed

    Li, Guoqi; Deng, Lei; Xu, Yi; Wen, Changyun; Wang, Wei; Pei, Jing; Shi, Luping

    2016-01-13

    Restricted Boltzmann machines (RBMs), which apply graphical models to learning probability distribution over a set of inputs, have attracted much attention recently since being proposed as building blocks of multi-layer learning systems called deep belief networks (DBNs). Note that temperature is a key factor of the Boltzmann distribution that RBMs originate from. However, none of existing schemes have considered the impact of temperature in the graphical model of DBNs. In this work, we propose temperature based restricted Boltzmann machines (TRBMs) which reveals that temperature is an essential parameter controlling the selectivity of the firing neurons in the hidden layers. We theoretically prove that the effect of temperature can be adjusted by setting the parameter of the sharpness of the logistic function in the proposed TRBMs. The performance of RBMs can be improved by adjusting the temperature parameter of TRBMs. This work provides a comprehensive insights into the deep belief networks and deep learning architectures from a physical point of view.

  6. Lattice-Boltzmann simulation of laser interaction with weakly ionized helium plasmas

    SciTech Connect

    Li Huayu; Ki, Hyungson

    2010-07-15

    This paper presents a lattice Boltzmann method for laser interaction with weakly ionized plasmas considering electron impact ionization and three-body recombination. To simulate with physical properties of plasmas, the authors' previous work on the rescaling of variables is employed and the electromagnetic fields are calculated from the Maxwell equations by using the finite-difference time-domain method. To calculate temperature fields, energy equations are derived separately from the Boltzmann equations. In this way, we attempt to solve the full governing equations for plasma dynamics. With the developed model, the continuous-wave CO{sub 2} laser interaction with helium is simulated successfully.

  7. Lattice-Boltzmann simulation of laser interaction with weakly ionized helium plasmas.

    PubMed

    Li, Huayu; Ki, Hyungson

    2010-07-01

    This paper presents a lattice Boltzmann method for laser interaction with weakly ionized plasmas considering electron impact ionization and three-body recombination. To simulate with physical properties of plasmas, the authors' previous work on the rescaling of variables is employed and the electromagnetic fields are calculated from the Maxwell equations by using the finite-difference time-domain method. To calculate temperature fields, energy equations are derived separately from the Boltzmann equations. In this way, we attempt to solve the full governing equations for plasma dynamics. With the developed model, the continuous-wave CO2 laser interaction with helium is simulated successfully.

  8. The dark matter distribution function and halo thermalization from the Eddington equation in galaxies

    NASA Astrophysics Data System (ADS)

    de Vega, H. J.; Sanchez, N. G.

    2016-05-01

    We find the distribution function f(E) for dark matter (DM) halos in galaxies and the corresponding equation of state from the (empirical) DM density profiles derived from observations. We solve for DM in galaxies the analogous of the Eddington equation originally used for the gas of stars in globular clusters. The observed density profiles are a good realistic starting point and the distribution functions derived from them are realistic. We do not make any assumption about the DM nature, the methods developed here apply to any DM kind, though all results are consistent with warm dark matter (WDM). With these methods we find: (i) Cored density profiles behaving quadratically for small distances ρ(r)= r → 0ρ(0) - Kr2 produce distribution functions which are finite and positive at the halo center while cusped density profiles always produce divergent distribution functions at the center. (ii) Cored density profiles produce approximate thermal Boltzmann distribution functions for r ≲ 3rh where rh is the halo radius. (iii) Analytic expressions for the dispersion velocity and the pressure are derived yielding at each halo point an ideal DM gas equation of state with local temperature T(r) ≡ mv2(r)/3. T(r) turns out to be constant in the same region where the distribution function is thermal and exhibits the same temperature within the percent. The self-gravitating DM gas can thermalize despite being collisionless because it is an ergodic system. (iv) The DM halo can be consistently considered at local thermal equilibrium with: (a) a constant temperature T(r) = T0 for r ≲ 3rh, (b) a space dependent temperature T(r) for 3rh < r ≲ Rvirial, which slowly decreases with r. That is, the DM halo is realistically a collisionless self-gravitating thermal gas for r ≲ Rvirial. (v) T(r) outside the halo radius nicely follows the decrease of the circular velocity squared.

  9. The collisionless magnetoviscous-thermal instability

    SciTech Connect

    Islam, Tanim

    2014-05-20

    It is likely that nearly all central galactic massive and supermassive black holes are nonradiative: their accretion luminosities are orders of magnitude below what can be explained by efficient black hole accretion within their ambient environments. These objects, of which Sagittarius A* is the best-known example, are also dilute (mildly collisional to highly collisionless) and optically thin. In order for accretion to occur, magnetohydrodynamic (MHD) instabilities must develop that not only transport angular momentum, but also gravitational energy generated through matter infall, outward. A class of new magnetohydrodynamical fluid instabilities—the magnetoviscous-thermal instability (MVTI)—was found to transport angular momentum and energy along magnetic field lines through large (fluid) viscosities and thermal conductivities. This paper describes the analog to the MVTI, the collisionless MVTI (CMVTI), that similarly transports energy and angular momentum outward, expected to be important in describing the flow properties of hot, dilute, and radiatively inefficient accretion flows around black holes. We construct a local equilibrium for MHD stability analysis in this differentially rotating disk. We then find and characterize specific instabilities expected to be important in describing their flow properties, and show their qualitative similarities to instabilities derived using the fluid formalism. We conclude with further work needed in modeling this class of accretion flow.

  10. Reformation and Microinstabilities at Perpendicular Collisionless Shocks

    NASA Astrophysics Data System (ADS)

    Umeda, T.; Kidani, Y.; Matsukiyo, S.; Yamazaki, R.

    2014-12-01

    Large-scale two-dimensional (2D) full particle-in-cell (PIC) simulations are carried out for studying the relationship between the dynamics of a perpendicular shock and microinstabilities generated at the shock foot. The structure and dynamics of collisionless shocks are generally determined by Alfven Mach number and plasma beta, while microinstabilities at the shock foot are controlled by the ratio of the upstream bulk velocity to the electron thermal velocity and the ratio of the plasma-to-cyclotron frequency. With a fixed Alfven Mach number and plasma beta, the ratio of the upstream bulk velocity to the electron thermal velocity is given as a function of the ion-to-electron mass ratio. The present 2D full PIC simulations with a relatively low Alfven Mach number (MA ˜ 6) show that the modified two-stream instability is dominant with higher ion-to-electron mass ratios. It is also confirmed that waves propagating downstream are more enhanced at the shock foot near the shock ramp as the mass ratio becomes higher. The result suggests that these waves play a role in the modification of the dynamics of collisionless shocks through the interaction with shock front ripples.

  11. Collisionless shock waves mediated by Weibel Instability

    NASA Astrophysics Data System (ADS)

    Naseri, Neda; Ruan, Panpan; Zhang, Xi; Khudik, Vladimir; Shvets, Gennady

    2015-11-01

    Relativistic collisionless shocks are common events in astrophysical environments. They are thought to be responsible for generating ultra-high energy particles via the Fermi acceleration mechanism. It has been conjectured that the formation of collisionless shocks is mediated by the Weibel instability that takes place when two initially cold, unmagnetized plasma shells counter-propagate into each other with relativistic drift velocities. Using a PIC code, VLPL, which is modified to suppress numerical Cherenkov instabilities, we study the shock formation and evolution for asymmetric colliding shells with different densities in their own proper reference frame. Plasma instabilities in the region between the shock and the precursor are also investigated using a moving-window simulation that advances the computational domain at the shock's speed. This method helps both to save computation time and avoid severe numerical Cherenkov instabilities, and it allows us to study the shock evolution in a longer time period. Project is supported by US DOE grants DE-FG02-04ER41321 and DE-FG02-07ER54945.

  12. Dissipative Boltzmann-Robertson-Walker cosmologies

    SciTech Connect

    Hiscock, W.A.; Salmonson, J. )

    1991-05-15

    The equations governing a flat Robertson-Walker cosmological model containing a dissipative Boltzmann gas are integrated numerically. The bulk viscous stress is modeled using the Eckart and Israel-Stewart theories of dissipative relativistic fluids; the resulting cosmologies are compared and contrasted. The Eckart models are shown to always differ in a significant quantitative way from the Israel-Stewart models. It thus appears inappropriate to use the pathological (nonhyperbolic) Eckart theory for cosmological applications. For large bulk viscosities, both cosmological models approach asymptotic nonequilibrium states; in the Eckart model the total pressure is negative, while in the Israel-Stewart model the total pressure is asymptotically zero. The Eckart model also expands more rapidly than the Israel-Stewart models. These results suggest that bulk-viscous'' inflation may be an artifact of using a pathological fluid theory such as the Eckart theory.

  13. Pointwise Description for the Linearized Fokker-Planck-Boltzmann Model

    NASA Astrophysics Data System (ADS)

    Wu, Kung-Chien

    2015-09-01

    In this paper, we study the pointwise (in the space variable) behavior of the linearized Fokker-Planck-Boltzmann model for nonsmooth initial perturbations. The result reveals both the fluid and kinetic aspects of this model. The fluid-like waves are constructed as the long-wave expansion in the spectrum of the Fourier modes for the space variable, and it has polynomial time decay rate. We design a Picard-type iteration for constructing the increasingly regular kinetic-like waves, which are carried by the transport equations and have exponential time decay rate. The Mixture Lemma plays an important role in constructing the kinetic-like waves, this lemma was originally introduced by Liu-Yu (Commun Pure Appl Math 57:1543-1608, 2004) for Boltzmann equation, but the Fokker-Planck term in this paper creates some technical difficulties.

  14. High performance computing with a conservative spectral Boltzmann solver

    NASA Astrophysics Data System (ADS)

    Haack, Jeffrey R.; Gamba, Irene M.

    2012-11-01

    We present new results building on the conservative deterministic spectral method for the space inhomogeneous Boltzmann equation developed by Gamba and Tharkabhushaman. This approach is a two-step process that acts on the weak form of the Boltzmann equation, and uses the machinery of the Fourier transform to reformulate the collisional integral into a weighted convolution in Fourier space. A constrained optimization problem is solved to preserve the mass, momentum, and energy of the resulting distribution. We extend this method to second order accuracy in space and time, and explore how to leverage the structure of the collisional formulation for high performance computing environments. The locality in space of the collisional term provides a straightforward memory decomposition, and we perform some initial scaling tests on high performance computing resources. We also use the improved computational power of this method to investigate a boundary-layer generated shock problem that cannot be described by classical hydrodynamics.

  15. Collisionless Dynamics and the Cosmic Web

    NASA Astrophysics Data System (ADS)

    Hahn, Oliver

    2016-10-01

    I review the nature of three-dimensional collapse in the Zeldovich approximation, how it relates to the underlying nature of the three-dimensional Lagrangian manifold and naturally gives rise to a hierarchical structure formation scenario that progresses through collapse from voids to pancakes, filaments and then halos. I then discuss how variations of the Zeldovich approximation (based on the gravitational or the velocity potential) have been used to define classifications of the cosmic large-scale structure into dynamically distinct parts. Finally, I turn to recent efforts to devise new approaches relying on tessellations of the Lagrangian manifold to follow the fine-grained dynamics of the dark matter fluid into the highly non-linear regime and both extract the maximum amount of information from existing simulations as well as devise new simulation techniques for cold collisionless dynamics.

  16. A collisionless plasma thruster plume expansion model

    NASA Astrophysics Data System (ADS)

    Merino, Mario; Cichocki, Filippo; Ahedo, Eduardo

    2015-06-01

    A two-fluid model of the unmagnetized, collisionless far region expansion of the plasma plume for gridded ion thrusters and Hall effect thrusters is presented. The model is integrated into two semi-analytical solutions valid in the hypersonic case. These solutions are discussed and compared against the results from the (exact) method of characteristics; the relative errors in density and velocity increase slowly axially and radially and are of the order of 10-2-10-3 in the cases studied. The plasma density, ion flux and ambipolar electric field are investigated. A sensitivity analysis of the problem parameters and initial conditions is carried out in order to characterize the far plume divergence angle in the range of interest for space electric propulsion. A qualitative discussion of the physics of the secondary plasma plume is also provided.

  17. Nanoflare heating model for collisionless solar corona

    NASA Astrophysics Data System (ADS)

    Visakh Kumar, U. L.; Varghese, Bilin Susan; Kurian, P. J.

    2017-02-01

    The problem of coronal heating remains one of the greatest unresolved problems in space science. Magnetic reconnection plays a significant role in heating the solar corona. When two oppositely directed magnetic fields come closer to form a current sheet, the current density of the plasma increases due to which magnetic reconnection and conversion of magnetic energy into thermal energy takes place. The present paper deals with a model for reconnection occurring in the solar corona under steady state in collisionless regime. The model predicts that reconnection time in the solar corona varies inversely with the cube of magnetic field and varies directly with the Lindquist number. Our analysis shows that reconnections are occurring within a time interval of 600 s in the solar corona, producing nanoflares in the energy range 10 21-10 23 erg /s which matches with Yohkoh X-ray observations.

  18. Assessment of Linear Finite-Difference Poisson-Boltzmann Solvers

    PubMed Central

    Wang, Jun; Luo, Ray

    2009-01-01

    CPU time and memory usage are two vital issues that any numerical solvers for the Poisson-Boltzmann equation have to face in biomolecular applications. In this study we systematically analyzed the CPU time and memory usage of five commonly used finite-difference solvers with a large and diversified set of biomolecular structures. Our comparative analysis shows that modified incomplete Cholesky conjugate gradient and geometric multigrid are the most efficient in the diversified test set. For the two efficient solvers, our test shows that their CPU times increase approximately linearly with the numbers of grids. Their CPU times also increase almost linearly with the negative logarithm of the convergence criterion at very similar rate. Our comparison further shows that geometric multigrid performs better in the large set of tested biomolecules. However, modified incomplete Cholesky conjugate gradient is superior to geometric multigrid in molecular dynamics simulations of tested molecules. We also investigated other significant components in numerical solutions of the Poisson-Boltzmann equation. It turns out that the time-limiting step is the free boundary condition setup for the linear systems for the selected proteins if the electrostatic focusing is not used. Thus, development of future numerical solvers for the Poisson-Boltzmann equation should balance all aspects of the numerical procedures in realistic biomolecular applications. PMID:20063271

  19. Collisionless Magnetic Reconnection in Space Plasmas

    NASA Astrophysics Data System (ADS)

    Treumann, Rudolf A.; Baumjohann, Wolfgang

    2013-12-01

    Magnetic reconnection, the merging of oppositely directed magnetic fields that leads to field reconfiguration, plasma heating, jetting and acceleration, is one of the most celebrated processes in collisionless plasmas. It requires the violation of the frozen-in condition which ties gyrating charged particles to the magnetic field inhibiting diffusion. Ongoing reconnection has been identified in near-Earth space as being responsible for the excitation of substorms, magnetic storms, generation of field aligned currents and their consequences, the wealth of auroral phenomena. Its theoretical understanding is now on the verge of being completed. Reconnection takes place in thin current sheets. Analytical concepts proceeded gradually down to the microscopic scale, the scale of the electron skin depth or inertial length, recognizing that current layers that thin do preferentially undergo spontaneous reconnection. Thick current layers start reconnecting when being forced by plasma inflow to thin. For almost half a century the physical mechanism of reconnection has remained a mystery. Spacecraft in situ observations in combination with sophisticated numerical simulations in two and three dimensions recently clarified the mist, finding that reconnection produces a specific structure of the current layer inside the electron inertial (also called electron diffusion) region around the reconnection site, the X line. Onset of reconnection is attributed to pseudo-viscous contributions of the electron pressure tensor aided by electron inertia and drag, creating a complicated structured electron current sheet, electric fields, and an electron exhaust extended along the current layer. We review the general background theory and recent developments in numerical simulation on collisionless reconnection. It is impossible to cover the entire field of reconnection in a short space-limited review. The presentation necessarily remains cursory, determined by our taste, preferences, and kn

  20. The microphysics of collisionless shock waves.

    PubMed

    Marcowith, A; Bret, A; Bykov, A; Dieckman, M E; Drury, L O'C; Lembège, B; Lemoine, M; Morlino, G; Murphy, G; Pelletier, G; Plotnikov, I; Reville, B; Riquelme, M; Sironi, L; Novo, A Stockem

    2016-04-01

    Collisionless shocks, that is shocks mediated by electromagnetic processes, are customary in space physics and in astrophysics. They are to be found in a great variety of objects and environments: magnetospheric and heliospheric shocks, supernova remnants, pulsar winds and their nebulæ, active galactic nuclei, gamma-ray bursts and clusters of galaxies shock waves. Collisionless shock microphysics enters at different stages of shock formation, shock dynamics and particle energization and/or acceleration. It turns out that the shock phenomenon is a multi-scale non-linear problem in time and space. It is complexified by the impact due to high-energy cosmic rays in astrophysical environments. This review adresses the physics of shock formation, shock dynamics and particle acceleration based on a close examination of available multi-wavelength or in situ observations, analytical and numerical developments. A particular emphasis is made on the different instabilities triggered during the shock formation and in association with particle acceleration processes with regards to the properties of the background upstream medium. It appears that among the most important parameters the background magnetic field through the magnetization and its obliquity is the dominant one. The shock velocity that can reach relativistic speeds has also a strong impact over the development of the micro-instabilities and the fate of particle acceleration. Recent developments of laboratory shock experiments has started to bring some new insights in the physics of space plasma and astrophysical shock waves. A special section is dedicated to new laser plasma experiments probing shock physics.

  1. Charging-delay induced dust acoustic collisionless shock wave: Roles of negative ions

    SciTech Connect

    Ghosh, Samiran; Bharuthram, R.; Khan, Manoranjan; Gupta, M. R.

    2006-11-15

    The effects of charging-delay and negative ions on nonlinear dust acoustic waves are investigated. It has been found that the charging-delay induced anomalous dissipation causes generation of dust acoustic collisionless shock waves in an electronegative dusty plasma. The small but finite amplitude wave is governed by a Korteweg-de Vries Burger equation in which the Burger term arises due to the charging-delay. Numerical investigations reveal that the charging-delay induced dissipation and shock strength decreases (increases) with the increase of negative ion concentration (temperature)

  2. Nonlinear frequency shift of electrostatic waves in general collisionless plasma: Unifying theory of fluid and kinetic nonlinearities

    SciTech Connect

    Liu, Chang; Dodin, Ilya Y.

    2015-08-15

    The nonlinear frequency shift is derived in a transparent asymptotic form for intense Langmuir waves in general collisionless plasma. The formula describes both fluid and kinetic effects simultaneously. The fluid nonlinearity is expressed, for the first time, through the plasma dielectric function, and the kinetic nonlinearity accounts for both smooth distributions and trapped-particle beams. Various known limiting scalings are reproduced as special cases. The calculation avoids differential equations and can be extended straightforwardly to other nonlinear plasma waves.

  3. Compton harmonic resonances, stochastic instabilities, quasilinear diffusion, and collisionless damping with ultra-high intensity laser waves

    SciTech Connect

    Rax, J.M.

    1992-04-01

    The dynamics of electrons in two-dimensional, linearly or circularly polarized, ultra-high intensity (above 10{sup 18}W/cm{sup 2}) laser waves, is investigated. The Compton harmonic resonances are identified as the source of various stochastic instabilities. Both Arnold diffusion and resonance overlap are considered. The quasilinear kinetic equation, describing the evolution of the electron distribution function, is derived, and the associated collisionless damping coefficient is calculated. The implications of these new processes are considered and discussed.

  4. Exploring Numerical (Naked) Singularity Formation with Collisionless Matter

    NASA Astrophysics Data System (ADS)

    Okounkova, Maria; Hemberger, Daniel; Scheel, Mark

    2017-01-01

    A proposed channel for the formation of naked singularities (singularities without event horizons) is the collapse of collisionless matter. In 1991, Shapiro and Teukolsky numerically investigated the collapse of prolate spheroids of collisionless matter in axisymmetry, and found that for certain initial configurations, a singularity formed on the domain without the appearance of an apparent horizon. While this may be a candidate for naked singularity formation, the role of the axisymmetry of the configuration and the termination of the simulation at singularity formation leave the question of generically forming an event horizon open. We have implemented (fully backreacting, fully 3-dimensional) collisionless matter evolution in SpEC, the Spectral Einstein Code, and present our results for the collapse of various configurations of collisionless matter. We expand on previous results by excising singularities, giving more time for the appearance of an apparent horizon, and by considering a variety of initial configurations.

  5. Multi-valued Boltzmann machine

    SciTech Connect

    Lin, C.T.; Lee, C.S.G.

    1995-04-01

    The idea of Hopfield network is based on the Ising spin glass model in which each spin has only two possible states: up and down. This paper generalizes these ideas to multivalue case based on the XY spin glass model in which each spin can be in any direction in a plane. Simply using the gradient descent method and the analog Hopfield network, two different analog connectionist structures and their corresponding evolving rules are first designed to transform the XY spin glass model to distributed computational models. Since these two structures can easily get stuck in local minima, a multivalued Boltzmann machine is proposed which adopts the discrete planar spin glass model for the local minimum problem. The multivalued Boltzmann machine can be applied to the mobile robot navigation problem by defining proper artificial magnetic field on the traverse terrain. This new approach has shown to have several advantages over existing graph search and potential field techniques. 28 refs.

  6. Temperature based Restricted Boltzmann Machines

    PubMed Central

    Li, Guoqi; Deng, Lei; Xu, Yi; Wen, Changyun; Wang, Wei; Pei, Jing; Shi, Luping

    2016-01-01

    Restricted Boltzmann machines (RBMs), which apply graphical models to learning probability distribution over a set of inputs, have attracted much attention recently since being proposed as building blocks of multi-layer learning systems called deep belief networks (DBNs). Note that temperature is a key factor of the Boltzmann distribution that RBMs originate from. However, none of existing schemes have considered the impact of temperature in the graphical model of DBNs. In this work, we propose temperature based restricted Boltzmann machines (TRBMs) which reveals that temperature is an essential parameter controlling the selectivity of the firing neurons in the hidden layers. We theoretically prove that the effect of temperature can be adjusted by setting the parameter of the sharpness of the logistic function in the proposed TRBMs. The performance of RBMs can be improved by adjusting the temperature parameter of TRBMs. This work provides a comprehensive insights into the deep belief networks and deep learning architectures from a physical point of view. PMID:26758235

  7. Topological Interactions in a Boltzmann-Type Framework

    NASA Astrophysics Data System (ADS)

    Blanchet, Adrien; Degond, Pierre

    2016-04-01

    We consider a finite number of particles characterised by their positions and velocities. At random times a randomly chosen particle, the follower, adopts the velocity of another particle, the leader. The follower chooses its leader according to the proximity rank of the latter with respect to the former. We study the limit of a system size going to infinity and, under the assumption of propagation of chaos, show that the limit equation is akin to the Boltzmann equation. However, it exhibits a spatial non-locality instead of the classical non-locality in velocity space. This result relies on the approximation properties of Bernstein polynomials. We illustrate the dynamics with numerical simulations.

  8. Lattice-Boltzmann-Langevin simulations of binary mixtures.

    PubMed

    Thampi, Sumesh P; Pagonabarraga, Ignacio; Adhikari, R

    2011-10-01

    We report a hybrid numerical method for the solution of the Model H fluctuating hydrodynamic equations for binary mixtures. The momentum conservation equations with Landau-Lifshitz stresses are solved using the fluctuating lattice Boltzmann equation while the order parameter conservation equation with Langevin fluxes is solved using stochastic method of lines. Two methods, based on finite difference and finite volume, are proposed for spatial discretization of the order parameter equation. Special care is taken to ensure that the fluctuation-dissipation theorem is maintained at the lattice level in both cases. The methods are benchmarked by comparing static and dynamic correlations and excellent agreement is found between analytical and numerical results. The Galilean invariance of the model is tested and found to be satisfactory. Thermally induced capillary fluctuations of the interface are captured accurately, indicating that the model can be used to study nonlinear fluctuations.

  9. A modified double distribution lattice Boltzmann model for axisymmetric thermal flow

    NASA Astrophysics Data System (ADS)

    Wang, Zuo; Liu, Yan; Wang, Heng; Zhang, Jiazhong

    2017-04-01

    In this paper, a double distribution lattice Boltzmann model for axisymmetric thermal flow is proposed. In the model, the flow field is solved by a multi-relaxation-time lattice Boltzmann scheme while the temperature field by a newly proposed lattice-kinetic-based Boltzmann scheme. Chapman-Enskog analysis demonstrates that the axisymmetric energy equation in the cylindrical coordinate system can be recovered by the present lattice-kinetic-based Boltzmann scheme for temperature field. Numerical tests, including the thermal Hagen-Poiseuille flow and natural convection in a vertical annulus, have been carried out, and the results predicted by the present model agree well with the existing numerical data. Furthermore, the present model shows better numerical stability than the existing model.

  10. Accounting for adsorption and desorption in lattice Boltzmann simulations

    NASA Astrophysics Data System (ADS)

    Levesque, Maximilien; Duvail, Magali; Pagonabarraga, Ignacio; Frenkel, Daan; Rotenberg, Benjamin

    2013-07-01

    We report a Lattice-Boltzmann scheme that accounts for adsorption and desorption in the calculation of mesoscale dynamical properties of tracers in media of arbitrary complexity. Lattice Boltzmann simulations made it possible to solve numerically the coupled Navier-Stokes equations of fluid dynamics and Nernst-Planck equations of electrokinetics in complex, heterogeneous media. With the moment propagation scheme, it became possible to extract the effective diffusion and dispersion coefficients of tracers, or solutes, of any charge, e.g., in porous media. Nevertheless, the dynamical properties of tracers depend on the tracer-surface affinity, which is not purely electrostatic and also includes a species-specific contribution. In order to capture this important feature, we introduce specific adsorption and desorption processes in a lattice Boltzmann scheme through a modified moment propagation algorithm, in which tracers may adsorb and desorb from surfaces through kinetic reaction rates. The method is validated on exact results for pure diffusion and diffusion-advection in Poiseuille flows in a simple geometry. We finally illustrate the importance of taking such processes into account in the time-dependent diffusion coefficient in a more complex porous medium.

  11. The Lattice Boltzmann Method applied to neutron transport

    SciTech Connect

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

    2013-07-01

    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)

  12. Modified Lattice Boltzmann method for compressible fluid simulations

    SciTech Connect

    Hinton, F. L.; Rosenbluth, M. N.; Wong, S. K.; Lin-Liu, Y. R.; Miller, R. L.

    2001-06-01

    A modified lattice Boltzmann algorithm is shown to have much better stability to growing temperature perturbations, when compared with the standard lattice Boltzmann algorithm. The damping rates of long-wavelength waves, which determine stability, are derived using a collisional equilibrium distribution function which has the property that the Euler equations are obtained exactly in the limit of zero time step. Using this equilibrium distribution function, we show that our algorithm has inherent positive hyperviscosity and hyperdiffusivity, for very small values of viscosity and thermal diffusivity, which are lacking in the standard algorithm. Short-wavelength modes are shown to be stable for temperatures greater than a lower limit. Results from a computer code are used to compare these algorithms, and to confirm the damping rate predictions made analytically. Finite amplitude sound waves in the simulated fluid steepen, as expected from gas dynamic theory.

  13. Large-scale rotational perturbations of a Friedmann universe with collisionless matter and primordial magnetic fields

    NASA Astrophysics Data System (ADS)

    Rebhan, Anton

    1992-06-01

    The dynamical equations for rotational (vector) perturbations of a Friedmann-Robertson-Walker universe containing a perfect fluid of massive matter and radiation together with relativistic collisionless matter are established. These equations have solutions which remain regular as the initial singularity is approached, in contrast to the purely perfect-fluid case, where small rotational perturbations cannot coexist with a Friedmann-type singularity due to the Helmholtz-Kelvin circulation theorem. With collisionless matter present (e.g., gravitons after the Planck era), this obstruction is circumvented, and solutions which exhibit a growing mode of vorticity on superhorizon scales are obtained. The anisotropies in the cosmic microwave background caused by these small vector perturbations are analyzed, and limits on admissible primordial vorticity are derived. In the radiation era, large-scale vorticity gives rise to large-scale primordial magnetic fields, which are shown potentially to have the right magnitude to act as seed fields for galactic dynamo action and thereby to explain the presently observed galactic magnetic fields.

  14. Nonlinear gyrofluid simulations of collisionless reconnection

    SciTech Connect

    Grasso, D.; Tassi, E.; Waelbroeck, F. L.

    2010-08-15

    The Hamiltonian gyrofluid model recently derived by Waelbroeck et al. [Phys. Plasmas 16, 032109 (2009)] is used to investigate nonlinear collisionless reconnection with a strong guide field by means of numerical simulations. Finite ion Larmor radius gives rise to a cascade of the electrostatic potential to scales below both the ion gyroradius and the electron skin depth. This cascade is similar to that observed previously for the density and current in models with cold ions. In addition to density cavities, the cascades create electron beams at scales below the ion gyroradius. The presence of finite ion temperature is seen to modify, inside the magnetic island, the distribution of the velocity fields that advect two Lagrangian invariants of the system. As a consequence, the fine structure in the electron density is confined to a layer surrounding the separatrix. Finite ion Larmor radius effects produce also a different partition between the electron thermal, potential, and kinetic energy, with respect to the cold-ion case. Other aspects of the dynamics such as the reconnection rate and the stability against Kelvin-Helmholtz modes are similar to simulations with finite electron compressibility but cold ions.

  15. Collisionless microinstabilities in stellarators. II. Numerical simulations

    NASA Astrophysics Data System (ADS)

    Proll, J. H. E.; Xanthopoulos, P.; Helander, P.

    2013-12-01

    Microinstabilities exhibit a rich variety of behavior in stellarators due to the many degrees of freedom in the magnetic geometry. It has recently been found that certain stellarators (quasi-isodynamic ones with maximum-J geometry) are partly resilient to trapped-particle instabilities, because fast-bouncing particles tend to extract energy from these modes near marginal stability. In reality, stellarators are never perfectly quasi-isodynamic, and the question thus arises whether they still benefit from enhanced stability. Here, the stability properties of Wendelstein 7-X and a more quasi-isodynamic configuration, QIPC, are investigated numerically and compared with the National Compact Stellarator Experiment and the DIII-D tokamak. In gyrokinetic simulations, performed with the gyrokinetic code GENE in the electrostatic and collisionless approximation, ion-temperature-gradient modes, trapped-electron modes, and mixed-type instabilities are studied. Wendelstein 7-X and QIPC exhibit significantly reduced growth rates for all simulations that include kinetic electrons, and the latter are indeed found to be stabilizing in the energy budget. These results suggest that imperfectly optimized stellarators can retain most of the stabilizing properties predicted for perfect maximum-J configurations.

  16. Return of the Boltzmann brains

    SciTech Connect

    Page, Don N.

    2008-09-15

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

  17. ENTROPY PRODUCTION IN COLLISIONLESS SYSTEMS. II. ARBITRARY PHASE-SPACE OCCUPATION NUMBERS

    SciTech Connect

    Barnes, Eric I.; Williams, Liliya L. R. E-mail: llrw@astro.umn.edu

    2012-04-01

    We present an analysis of two thermodynamic techniques for determining equilibria of self-gravitating systems. One is the Lynden-Bell (LB) entropy maximization analysis that introduced violent relaxation. Since we do not use the Stirling approximation, which is invalid at small occupation numbers, our systems have finite mass, unlike LB's isothermal spheres. (Instead of Stirling, we utilize a very accurate smooth approximation for ln x{exclamation_point}.) The second analysis extends entropy production extremization to self-gravitating systems, also without the use of the Stirling approximation. In addition to the LB statistical family characterized by the exclusion principle in phase space, and designed to treat collisionless systems, we also apply the two approaches to the Maxwell-Boltzmann (MB) families, which have no exclusion principle and hence represent collisional systems. We implicitly assume that all of the phase space is equally accessible. We derive entropy production expressions for both families and give the extremum conditions for entropy production. Surprisingly, our analysis indicates that extremizing entropy production rate results in systems that have maximum entropy, in both LB and MB statistics. In other words, both thermodynamic approaches lead to the same equilibrium structures.

  18. Shearing Box Simulations of the MRI in a Collisionless Plasma

    SciTech Connect

    Sharma, Prateek; Hammett, Gregory, W.; Quataert, Eliot; Stone, James, M.

    2005-08-31

    We describe local shearing box simulations of turbulence driven by the magnetorotational instability (MRI) in a collisionless plasma. Collisionless effects may be important in radiatively inefficient accretion flows, such as near the black hole in the Galactic Center. The MHD version of ZEUS is modified to evolve an anisotropic pressure tensor. A fluid closure approximation is used to calculate heat conduction along magnetic field lines. The anisotropic pressure tensor provides a qualitatively new mechanism for transporting angular momentum in accretion flows (in addition to the Maxwell and Reynolds stresses). We estimate limits on the pressure anisotropy due to pitch angle scattering by kinetic instabilities. Such instabilities provide an effective ''collision'' rate in a collisionless plasma and lead to more MHD-like dynamics. We find that the MRI leads to efficient growth of the magnetic field in a collisionless plasma, with saturation amplitudes comparable to those in MHD. In the saturated state, the anisotropic stress is comparable to the Maxwell stress, implying that the rate of angular momentum transport may be moderately enhanced in a collisionless plasma.

  19. Non-linear Poisson-Boltzmann theory for swollen clays

    NASA Astrophysics Data System (ADS)

    Leote de Carvalho, R. J. F.; Trizac, E.; Hansen, J.-P.

    1998-08-01

    The non-linear Poisson-Boltzmann (PB) equation for a circular, uniformly char ged platelet, confined together with co- and counter-ions to a cylindrical cell, is solved semi-analytically by transforming it into an integral equation and solving the latter iteratively. This method proves efficient and robust, and can be readily generalized to other problems based on cell models, treated within non-linear Poisson-like theory. The solution to the PB equation is computed over a wide range of physical conditions, and the resulting osmotic equation of state is shown to be in semi-quantitative agreement with recent experimental data for Laponite clay suspensions, in the concentrated gel phase.

  20. FAST MAGNETIC FIELD AMPLIFICATION IN THE EARLY UNIVERSE: GROWTH OF COLLISIONLESS PLASMA INSTABILITIES IN TURBULENT MEDIA

    SciTech Connect

    Falceta-Gonçalves, D.; Kowal, G.

    2015-07-20

    In this work we report on a numerical study of the cosmic magnetic field amplification due to collisionless plasma instabilities. The collisionless magnetohydrodynamic equations derived account for the pressure anisotropy that leads, in specific conditions, to the firehose and mirror instabilities. We study the time evolution of seed fields in turbulence under the influence of such instabilities. An approximate analytical time evolution of the magnetic field is provided. The numerical simulations and the analytical predictions are compared. We found that (i) amplification of the magnetic field was efficient in firehose-unstable turbulent regimes, but not in the mirror-unstable models; (ii) the growth rate of the magnetic energy density is much faster than the turbulent dynamo; and (iii) the efficient amplification occurs at small scales. The analytical prediction for the correlation between the growth timescales and pressure anisotropy is confirmed by the numerical simulations. These results reinforce the idea that pressure anisotropies—driven naturally in a turbulent collisionless medium, e.g., the intergalactic medium, could efficiently amplify the magnetic field in the early universe (post-recombination era), previous to the collapse of the first large-scale gravitational structures. This mechanism, though fast for the small-scale fields (∼kpc scales), is unable to provide relatively strong magnetic fields at large scales. Other mechanisms that were not accounted for here (e.g., collisional turbulence once instabilities are quenched, velocity shear, or gravitationally induced inflows of gas into galaxies and clusters) could operate afterward to build up large-scale coherent field structures in the long time evolution.

  1. Recent advances in lattice Boltzmann methods

    SciTech Connect

    Chen, S.; Doolen, G.D.; He, X.; Nie, X.; Zhang, R.

    1998-12-31

    In this paper, the authors briefly present the basic principles of lattice Boltzmann method and summarize recent advances of the method, including the application of the lattice Boltzmann method for fluid flows in MEMS and simulation of the multiphase mixing and turbulence.

  2. Student Understanding of the Boltzmann Factor

    ERIC Educational Resources Information Center

    Smith, Trevor I.; Mountcastle, Donald B.; Thompson, John R.

    2015-01-01

    We present results of our investigation into student understanding of the physical significance and utility of the Boltzmann factor in several simple models. We identify various justifications, both correct and incorrect, that students use when answering written questions that require application of the Boltzmann factor. Results from written data…

  3. Spectral Classification Using Restricted Boltzmann Machine

    NASA Astrophysics Data System (ADS)

    Fuqiang, Chen; Yan, Wu; Yude, Bu; Guodong, Zhao

    2014-01-01

    In this study, a novel machine learning algorithm, restricted Boltzmann machine, is introduced. The algorithm is applied for the spectral classification in astronomy. Restricted Boltzmann machine is a bipartite generative graphical model with two separate layers (one visible layer and one hidden layer), which can extract higher level features to represent the original data. Despite generative, restricted Boltzmann machine can be used for classification when modified with a free energy and a soft-max function. Before spectral classification, the original data are binarised according to some rule. Then, we resort to the binary restricted Boltzmann machine to classify cataclysmic variables and non-cataclysmic variables (one half of all the given data for training and the other half for testing). The experiment result shows state-of-the-art accuracy of 100%, which indicates the efficiency of the binary restricted Boltzmann machine algorithm.

  4. An Introduction to the Physics of Collisionless Shocks

    SciTech Connect

    Russell, C.T.

    2005-08-01

    Collisionless shocks are important in astrophysical, heliospheric and magnetospheric settings. They deflect flows around obstacles; they heat the plasma, and they alter the properties of the flow as it intersects those obstacles. The physical processes occurring at collisionless shocks depend on the Mach number (strength) and beta (magnetic to thermal pressure) of the shocks and the direction of the magnetic field relative to the shock normal. Herein we review how the shock has been modeled in numerical simulations, the basic physical processes at work, including dissipation and thermalization, the electric potential drop at the shock, and the formation of the electron and ion foreshocks.

  5. A mean field Ohm`s law for collisionless plasmas

    SciTech Connect

    Biglari, H.; Diamond, P.H. |

    1993-06-01

    A mean field Ohm`s law valid for collisionless plasmas is derived kinetically. It is shown that contrary to conventional thinking, the resulting hyper-resistivity is significantly smaller than its fluid counterpart due to the fact that the turbulent decorrelation rate is linked to the rapid electron ballistic motion rather than the slower nonlinear mixing time. Moreover, the off-diagonal contributions to the parallel electron momentum flux are shown to result in Ohm`s law renormalizations that dwarf the current diffusivity and break radial parity symmetry. Thus, the conventional wisdom of tearing and twisting parity solutions appears to be vitiated in the turbulent collisionless regime.

  6. PARTICLE ACCELERATION DURING MAGNETOROTATIONAL INSTABILITY IN A COLLISIONLESS ACCRETION DISK

    SciTech Connect

    Hoshino, Masahiro

    2013-08-20

    Particle acceleration during the magnetorotational instability (MRI) in a collisionless accretion disk was investigated by using a particle-in-cell simulation. We discuss the important role that magnetic reconnection plays not only on the saturation of MRI but also on the relativistic particle generation. The plasma pressure anisotropy of p > p{sub ||} induced by the action of MRI dynamo leads to rapid growth in magnetic reconnection, resulting in the fast generation of nonthermal particles with a hard power-law spectrum. This efficient particle acceleration mechanism involved in a collisionless accretion disk may be a possible model to explain the origin of high-energy particles observed around massive black holes.

  7. Filter-matrix lattice Boltzmann model for microchannel gas flows.

    PubMed

    Zhuo, Congshan; Zhong, Chengwen

    2013-11-01

    The lattice Boltzmann method has been shown to be successful for microscale gas flows, and it has attracted significant research interest. In this paper, the recently proposed filter-matrix lattice Boltzmann (FMLB) model is first applied to study the microchannel gas flows, in which a Bosanquet-type effective viscosity is used to capture the flow behaviors in the transition regime. A kinetic boundary condition, the combined bounce-back and specular-reflection scheme with the second-order slip scheme, is also designed for the FMLB model. By analyzing a unidirectional flow, the slip velocity and the discrete effects related to the boundary condition are derived within the FMLB model, and a revised scheme is presented to overcome such effects, which have also been validated through numerical simulations. To gain an accurate simulation in a wide range of Knudsen numbers, covering the slip and the entire transition flow regimes, a set of slip coefficients with an introduced fitting function is adopted in the revised second-order slip boundary condition. The periodic and pressure-driven microchannel flows have been investigated by the present model in this study. The numerical results, including the velocity profile and the mass flow rate, as well as the nonlinear pressure distribution along the channel, agree fairly well with the solutions of the linearized Boltzmann equation, the direct simulation Monte Carlo results, the experimental data, and the previous results of the multiple effective relaxation lattice Boltzmann model. Also, the present results of the velocity profile and the mass flow rate show that the present model with the fitting function can yield improved predictions for the microchannel gas flow with higher Knudsen numbers in the transition flow regime.

  8. Double adiabatic theory of driven collisionless geodesic acoustic modes (GAMs) in toroids

    NASA Astrophysics Data System (ADS)

    Hassam, Adil; Kleva, Robert

    2011-10-01

    The GAM is an axisymmetric oscillation of a toroidal magnetically confined plasma, resulting from an interplay between poloidal plasma rotation and perpendicular flux tube compression from the B field gradient. The frequency is super-parallel-sonic, ie, omega ~ (ion thermal speed)/R, greater than the parallel acoustic mode which is lower by a factor of q. Consequently, collisionless geodesic acoustic modes in tokamaks can be described by the Chew-Goldberger-Low double-adiabatic fluid closures. This allows a simpler nonlinear formulation. We use these equations to study driven, collisionless GAMs in tokamaks. The motivation for this study is a proposal by Hallatschek and McKee to drive GAMs on the D3D tokamak at resonance. The drivers in the CGL theory include external magnetic forces to effect flux surface displacements as well as sources to provide modulated non-axisymmetric ion heating. We show that the linear mode frequency from CGL theory agrees with previous kinetic results. Comparisons will be made between different approaches to resonate the mode. Nonlinear effects will be evaluated. A 2D toroidal numerical simulation of driven GAMs is in progress. Work supported by US-DOE.

  9. Double adiabatic theory of driven collisionless geodesic acoustic modes (GAMs) in toroids

    NASA Astrophysics Data System (ADS)

    Hassam, Adil; Kleva, Robert; Sengupta, Wrick

    2012-03-01

    The GAM is an axisymmetric oscillation of a toroidal magnetically confined plasma, resulting from an interplay between poloidal plasma rotation and perpendicular flux tube compression from the B field gradient. The frequency is super-parallel-sonic, ie, φ ˜ (ion thermal speed)/R, greater than the parallel acoustic mode which is lower by a factor of q. Consequently, collisionless geodesic acoustic modes in tokamaks can be described by the Chew-Goldberger-Low double-adiabatic fluid closures. This allows a simpler nonlinear formulation. We use these equations to study driven, collisionless GAMs in tokamaks. The motivation for this study is a proposal by Hallatschek and McKee to drive GAMs on the D3D tokamak at resonance. The drivers in the CGL theory include external magnetic forces to effect flux surface displacements as well as sources to provide modulated non-axisymmetric ion heating. We show that the linear mode frequency from CGL theory agrees with previous kinetic results. Comparisons will be made between different approaches to resonate the mode. Nonlinear effects will be evaluated. Results of a 2D toroidal numerical simulation of driven GAMs are described

  10. Poisson-Helmholtz-Boltzmann model of the electric double layer: analysis of monovalent ionic mixtures.

    PubMed

    Bohinc, Klemen; Shrestha, Ahis; Brumen, Milan; May, Sylvio

    2012-03-01

    In the classical mean-field description of the electric double layer, known as the Poisson-Boltzmann model, ions interact exclusively through their Coulomb potential. Ion specificity can arise through solvent-mediated, nonelectrostatic interactions between ions. We employ the Yukawa pair potential to model the presence of nonelectrostatic interactions. The combination of Yukawa and Coulomb potential on the mean-field level leads to the Poisson-Helmholtz-Boltzmann model, which employs two auxiliary potentials: one electrostatic and the other nonelectrostatic. In the present work we apply the Poisson-Helmholtz-Boltzmann model to ionic mixtures, consisting of monovalent cations and anions that exhibit different Yukawa interaction strengths. As a specific example we consider a single charged surface in contact with a symmetric monovalent electrolyte. From the minimization of the mean-field free energy we derive the Poisson-Boltzmann and Helmholtz-Boltzmann equations. These nonlinear equations can be solved analytically in the weak perturbation limit. This together with numerical solutions in the nonlinear regime suggests an intricate interplay between electrostatic and nonelectrostatic interactions. The structure and free energy of the electric double layer depends sensitively on the Yukawa interaction strengths between the different ion types and on the nonelectrostatic interactions of the mobile ions with the surface.

  11. Poisson-Boltzmann theory for two parallel uniformly charged plates

    SciTech Connect

    Xing Xiangjun

    2011-04-15

    We solve the nonlinear Poisson-Boltzmann equation for two parallel and like-charged plates both inside a symmetric electrolyte, and inside a 2:1 asymmetric electrolyte, in terms of Weierstrass elliptic functions. From these solutions we derive the functional relation between the surface charge density, the plate separation, and the pressure between plates. For the one plate problem, we obtain exact expressions for the electrostatic potential and for the renormalized surface charge density, both in symmetric and in asymmetric electrolytes. For the two plate problems, we obtain new exact asymptotic results in various regimes.

  12. Static contact angle in lattice Boltzmann models of immiscible fluids.

    PubMed

    Latva-Kokko, M; Rothman, Daniel H

    2005-10-01

    We study numerically the capillary rise between two horizontal plates and in a rectangular tube, using a lattice Boltzmann (LB) method. We derive an equation for the static fluid-solid contact angle as a function of the wetting tendency of the walls and test its validity. We show that the generalized Laplace law with two independent radii of curvature is followed in capillary rise in rectangular tubes. Our method removes the history dependence of the fluid-solid contact angle that had been present in earlier LB schemes.

  13. An Infinite Restricted Boltzmann Machine.

    PubMed

    Côté, Marc-Alexandre; Larochelle, Hugo

    2016-07-01

    We present a mathematical construction for the restricted Boltzmann machine (RBM) that does not require specifying the number of hidden units. In fact, the hidden layer size is adaptive and can grow during training. This is obtained by first extending the RBM to be sensitive to the ordering of its hidden units. Then, with a carefully chosen definition of the energy function, we show that the limit of infinitely many hidden units is well defined. As with RBM, approximate maximum likelihood training can be performed, resulting in an algorithm that naturally and adaptively adds trained hidden units during learning. We empirically study the behavior of this infinite RBM, showing that its performance is competitive to that of the RBM, while not requiring the tuning of a hidden layer size.

  14. Moving charged particles in lattice Boltzmann-based electrokinetics

    NASA Astrophysics Data System (ADS)

    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.

  15. Nanoscale air bearing modeling via lattice Boltzmann method

    NASA Astrophysics Data System (ADS)

    Kim, Woo Tae; Jhon, Myung S.; Zhou, Yong; Staroselsky, Ilya; Chen, Hudong

    2005-05-01

    As spacing between the two solid surfaces in operating condition becomes much smaller than the mean free path of the air, continuum-based Navier-Stokes equation is no longer valid and one has to use a modified Reynolds equation (MRE) in simulating high Knudsen number air bearing. This MRE, which stems from the linearized Boltzmann transport equation with Bhatnagar-Gross-Krook approximation via the appropriate choice of the boundary condition, has the advantages of calculating the pressure distribution in a nanoscale confined gaseous system. In this paper, we provide a methodology based on the lattice Boltzmann method (LBM), which could enhance the computational capability of nanoscale confined gaseous system by calculating both velocity and pressure fields simultaneously. The advantage of transient and parallel nature makes this LBM an attractive tool for the next generation air bearing design. Furthermore, LBM is suitable for hybridization with lubricant morphology as well as multiscale modeling including entire disk flow analysis. We demonstrate the feasibility of this LBM by using first-order slip model as a case study. Hybridization with database established by Kang et al. [S.-C. Kang, R. M. Crone, and M. S. Jhon, J. Appl. Phys. 85, 5594 (1999)] can be performed via the similar procedure reported here to develop the state-of-the-art slider design software.

  16. On the cubic velocity deviations in lattice Boltzmann methods

    NASA Astrophysics Data System (ADS)

    Házi, Gábor; Kávrán, Péter

    2006-03-01

    The macroscopic equations derived from the lattice Boltzmann equation are not exactly the Navier-Stokes equations. Here the cubic deviation terms and the methods proposed to eliminate them are studied. The most popular two- and three-dimensional models (D2Q9, D3Q15, D3Q19, D3Q27) are considered in the paper. It is demonstrated that the compensation methods provide only partial elimination of the deviations for these models. It is also shown that the compensation of Qian and Zhou (1998 Europhys. Lett. 42 359) using the compensation parameter K = 1 in a D2Q9 or D3Q27 model can eliminate all the cross terms perfectly, but the deviation terms ∂xρu3x, ∂yρu3y and ∂zρu3z still survive the compensation.

  17. The Poisson-Boltzmann theory for the two-plates problem: some exact results.

    PubMed

    Xing, Xiang-Jun

    2011-12-01

    The general solution to the nonlinear Poisson-Boltzmann equation for two parallel charged plates, either inside a symmetric electrolyte, or inside a 2q:-q asymmetric electrolyte, is found in terms of Weierstrass elliptic functions. From this we derive some exact asymptotic results for the interaction between charged plates, as well as the exact form of the renormalized surface charge density.

  18. Approximate learning algorithm in Boltzmann machines.

    PubMed

    Yasuda, Muneki; Tanaka, Kazuyuki

    2009-11-01

    Boltzmann machines can be regarded as Markov random fields. For binary cases, they are equivalent to the Ising spin model in statistical mechanics. Learning systems in Boltzmann machines are one of the NP-hard problems. Thus, in general we have to use approximate methods to construct practical learning algorithms in this context. In this letter, we propose new and practical learning algorithms for Boltzmann machines by using the belief propagation algorithm and the linear response approximation, which are often referred as advanced mean field methods. Finally, we show the validity of our algorithm using numerical experiments.

  19. Scaled Laboratory Collisionless Shock Experiments in the Large Plasma Device

    NASA Astrophysics Data System (ADS)

    Clark, S. E.; Schaeffer, D.; Everson, E.; Bondarenko, A.; Winske, D.; Constantin, C.; Niemann, C.

    2013-12-01

    Collisionless shocks in space plasmas have been investigated since the fifties and are typically studied via in-situ satellite observations, which are limited due to the large structure of collisionless shocks in space environments relative to the satellite observation platform. Scaled, repeatable experiments in the Large Plasma Device (LAPD) at UCLA provide a test bed for studying collisionless shocks in the laboratory, where questions of ion and electron heating and acceleration can be addressed and examined in detail. The experiments are performed by ablating a graphite or plastic target using the Raptor kilojoule-class laser facility at UCLA. The laser provides an on-target energy in the range of 100-500 J that drives a super-Alfvénic (MA > 1) debris plasma across a background magnetic field (200-800 G) into the ambient, magnetized LAPD plasma. Typical plasma parameters in the LAPD consist of a H+ or He+ ambient plasma with a core column (diameter > 20 cm ) density ni ~ 1013 cm-3 and electron temperature Te ~ 10 eV embedded in a larger plasma discharge (diameter ~ 80 cm) of density ni ~ 1012 cm-3 and Te ~ 5 eV. The ambient ion temperature is Ti ~ 1 eV. Experimental results from the latest collisionless shock campaign will be presented and compared with two dimensional hybrid simulations of the experiment. Fielded diagnostics include Thomson scattering, ion spectroscopy, magnetic flux probes, Langmuir probes, and microwave reflectometry.

  20. Comparison of multi-fluid moment models with particle-in-cell simulations of collisionless magnetic reconnection

    SciTech Connect

    Wang, Liang Germaschewski, K.; Hakim, Ammar H.; Bhattacharjee, A.

    2015-01-15

    We introduce an extensible multi-fluid moment model in the context of collisionless magnetic reconnection. This model evolves full Maxwell equations and simultaneously moments of the Vlasov-Maxwell equation for each species in the plasma. Effects like electron inertia and pressure gradient are self-consistently embedded in the resulting multi-fluid moment equations, without the need to explicitly solving a generalized Ohm's law. Two limits of the multi-fluid moment model are discussed, namely, the five-moment limit that evolves a scalar pressures for each species and the ten-moment limit that evolves the full anisotropic, non-gyrotropic pressure tensor for each species. We first demonstrate analytically and numerically that the five-moment model reduces to the widely used Hall magnetohydrodynamics (Hall MHD) model under the assumptions of vanishing electron inertia, infinite speed of light, and quasi-neutrality. Then, we compare ten-moment and fully kinetic particle-in-cell (PIC) simulations of a large scale Harris sheet reconnection problem, where the ten-moment equations are closed with a local linear collisionless approximation for the heat flux. The ten-moment simulation gives reasonable agreement with the PIC results regarding the structures and magnitudes of the electron flows, the polarities and magnitudes of elements of the electron pressure tensor, and the decomposition of the generalized Ohm's law. Possible ways to improve the simple local closure towards a nonlocal fully three-dimensional closure are also discussed.

  1. Lattice Boltzmann model for incompressible axisymmetric thermal flows through porous media

    NASA Astrophysics Data System (ADS)

    Grissa, Kods; Chaabane, Raoudha; Lataoui, Zied; Benselama, Adel; Bertin, Yves; Jemni, Abdelmajid

    2016-10-01

    The present work proposes a simple lattice Boltzmann model for incompressible axisymmetric thermal flows through porous media. By incorporating forces and source terms into the lattice Boltzmann equation, the incompressible Navier-Stokes equations are recovered through the Chapman-Enskog expansion. It is found that the added terms are just the extra terms in the governing equations for the axisymmetric thermal flows through porous media compared with the Navier-Stokes equations. Four numerical simulations are performed to validate this model. Good agreement is obtained between the present work and the analytic solutions and/or the results of previous studies. This proves its efficacy and simplicity regarding other methods. Also, this approach provides guidance for problems with more physical phenomena and complicated force forms.

  2. Graphics processing unit implementation of lattice Boltzmann models for flowing soft systems.

    PubMed

    Bernaschi, Massimo; Rossi, Ludovico; Benzi, Roberto; Sbragaglia, Mauro; Succi, Sauro

    2009-12-01

    A graphic processing unit (GPU) implementation of the multicomponent lattice Boltzmann equation with multirange interactions for soft-glassy materials ["glassy" lattice Boltzmann (LB)] is presented. Performance measurements for flows under shear indicate a GPU/CPU speed up in excess of 10 for 1024(2) grids. Such significant speed up permits to carry out multimillion time-steps simulations of 1024(2) grids within tens of hours of GPU time, thereby considerably expanding the scope of the glassy LB toward the investigation of long-time relaxation properties of soft-flowing glassy materials.

  3. Student understanding of the Boltzmann factor

    NASA Astrophysics Data System (ADS)

    Smith, Trevor I.; Mountcastle, Donald B.; Thompson, John R.

    2015-12-01

    [This paper is part of the Focused Collection on Upper Division Physics Courses.] We present results of our investigation into student understanding of the physical significance and utility of the Boltzmann factor in several simple models. We identify various justifications, both correct and incorrect, that students use when answering written questions that require application of the Boltzmann factor. Results from written data as well as teaching interviews suggest that many students can neither recognize situations in which the Boltzmann factor is applicable nor articulate the physical significance of the Boltzmann factor as an expression for multiplicity, a fundamental quantity of statistical mechanics. The specific student difficulties seen in the written data led us to develop a guided-inquiry tutorial activity, centered around the derivation of the Boltzmann factor, for use in undergraduate statistical mechanics courses. We report on the development process of our tutorial, including data from teaching interviews and classroom observations of student discussions about the Boltzmann factor and its derivation during the tutorial development process. This additional information informed modifications that improved students' abilities to complete the tutorial during the allowed class time without sacrificing the effectiveness as we have measured it. These data also show an increase in students' appreciation of the origin and significance of the Boltzmann factor during the student discussions. Our findings provide evidence that working in groups to better understand the physical origins of the canonical probability distribution helps students gain a better understanding of when the Boltzmann factor is applicable and how to use it appropriately in answering relevant questions.

  4. Alternating minimization and Boltzmann machine learning.

    PubMed

    Byrne, W

    1992-01-01

    Training a Boltzmann machine with hidden units is appropriately treated in information geometry using the information divergence and the technique of alternating minimization. The resulting algorithm is shown to be closely related to gradient descent Boltzmann machine learning rules, and the close relationship of both to the EM algorithm is described. An iterative proportional fitting procedure for training machines without hidden units is described and incorporated into the alternating minimization algorithm.

  5. Computational study of nonlinear plasma waves. [plasma simulation model applied to electrostatic waves in collisionless plasma

    NASA Technical Reports Server (NTRS)

    Matsuda, Y.

    1974-01-01

    A low-noise plasma simulation model is developed and applied to a series of linear and nonlinear problems associated with electrostatic wave propagation in a one-dimensional, collisionless, Maxwellian plasma, in the absence of magnetic field. It is demonstrated that use of the hybrid simulation model allows economical studies to be carried out in both the linear and nonlinear regimes with better quantitative results, for comparable computing time, than can be obtained by conventional particle simulation models, or direct solution of the Vlasov equation. The characteristics of the hybrid simulation model itself are first investigated, and it is shown to be capable of verifying the theoretical linear dispersion relation at wave energy levels as low as .000001 of the plasma thermal energy. Having established the validity of the hybrid simulation model, it is then used to study the nonlinear dynamics of monochromatic wave, sideband instability due to trapped particles, and satellite growth.

  6. Analytical theory of self-consistent current structures in a collisionless plasma

    NASA Astrophysics Data System (ADS)

    Kocharovsky, V. V.; Kocharovsky, Vl V.; Martyanov, V. Yu; Tarasov, S. V.

    2017-03-01

    The most-studied classes of exact solutions to Vlasov–Maxwell equations for stationary neutral current structures in a collisionless relativistic plasma, which allow the particle distribution functions (PDFs) to be chosen at will, are reviewed. A general classification is presented of the current sheets and filaments described by the method of invariants of motion of particles whose PDF is symmetric in a certain way in coordinate and momentum spaces. The possibility is discussed of using these explicit solutions to model the observed and/or expected features of current structures in cosmic and laboratory plasmas. Also addressed are how the magnetic field forms and the analytical description of the so-called Weibel instability in a plasma with an arbitrary PDF.

  7. Analytical theory of self-consistent current structures in a collisionless plasma

    NASA Astrophysics Data System (ADS)

    Kocharovsky, V. V.; Kocharovsky, V. V.; Martyanov, V. Yu; Tarasov, S. V.

    2016-12-01

    The most-studied classes of exact solutions to Vlasov – Maxwell equations for stationary neutral current structures in a collisionless relativistic plasma, which allow the particle distribution functions (PDFs) to be chosen at will, are reviewed. A general classification is presented of the current sheets and filaments described by the method of invariants of motion of particles whose PDF is symmetric in a certain way in coordinate and momentum spaces. The possibility is discussed of using these explicit solutions to model the observed and/or expected features of current structures in cosmic and laboratory plasmas. Also addressed are how the magnetic field forms and the analytical description of the so-called Weibel instability in a plasma with an arbitrary PDF.

  8. Effects of electron drifts on collisionless damping of kinetic Alfvén waves

    NASA Astrophysics Data System (ADS)

    Tong, Yuguang; Bale, Stuart; Chen, Christopher; Salem, Chadi; Verscharen, Daniel

    2015-04-01

    Collisionless dissipation of obliquely propogating Alfvén waves has been a promising candidate to solve the solar wind heating problem. Extensive studies have examined kinetic properties of Alfvén waves in simple Maxwellian or Bi-Maxwellian plasmas. However, the solar wind electron velocity distribution function is more complex. A study of Alfvén waves in a plasma, whose electrons consist of two drifting populations in the proton bulk frame, is reported here. We numerically solve the linearized Maxwell-Vlasov equations and find that the damping rate and the proton-electron energy partition for Alfven waves have been significantly modified in such plasmas, comparing to their counterparts without electron drifts. We suggest that electron drift is an important factor to take into account when considering the dissipation of Alfvénic turbulence in the solar wind.

  9. Effects of electron drifts on collisionless damping of Alfvén waves

    NASA Astrophysics Data System (ADS)

    Tong, Y.; Bale, S. D.; Chen, C. H. K.

    2014-12-01

    Collisionless dissipation of obliquely propogating Alfvén waves has been a promising candidate to solve the coronal and the solar wind heating problem. Extensive studies have examined kinetic properties of Alfvén waves in simple Maxwellian or Bi-Maxwellian plasmas. However, the solar wind electron velocity distribution function is more complex. A study of Alfvén waves in a plasma, whose electrons consist of two drifting populations in the proton bulk frame, is reported here. By numerically solving the linearized Maxwell-Vlasov equations, we find that the damping rate and the proton-electron energy partition for Alfven waves have been significantly modified in such plasmas, comparing to their counterparts without electron drifts. We suggest that electron drift is an important factor to take into account when considering the dissipation of Alfvénic turbulence in the solar wind.

  10. A kinetic study of solar wind electrons in the transition region from collision dominated to collisionless flow

    NASA Technical Reports Server (NTRS)

    Lie-Svendsen, O.; Leer, E.

    1995-01-01

    We have studied the evolution of the velocity distribution function of a test population of electrons in the solar corona and inner solar wind region, using a recently developed kinetic model. The model solves the time dependent, linear transport equation, with a Fokker-Planck collision operator to describe Coulomb collisions between the 'test population' and a thermal background of charged particles, using a finite differencing scheme. The model provides information on how non-Maxwellian features develop in the distribution function in the transition region from collision dominated to collisionless flow. By taking moments of the distribution the evolution of higher order moments, such as the heat flow, can be studied.

  11. Supernova Simulations with Boltzmann Neutrino Transport: A Comparison of Methods

    SciTech Connect

    Liebendoerfer, M.; Rampp, M.; Janka, H.-Th.; Mezzacappa, Anthony

    2005-02-01

    Accurate neutrino transport has been built into spherically symmetric simulations of stellar core collapse and postbounce evolution. The results of such simulations agree that spherically symmetric models with standard microphysical input fail to explode by the delayed, neutrino-driven mechanism. Independent groups implemented fundamentally different numerical methods to tackle the Boltzmann neutrino transport equation. Here we present a direct and detailed comparison of such neutrino radiation-hydrodynamics simulations for two codes, AGILE-BOLTZTRAN of the Oak Ridge-Basel group and VERTEX of the Garching group. The former solves the Boltzmann equation directly by an implicit, general relativistic discrete-angle method on the adaptive grid of a conservative implicit hydrodynamics code with second-order TVD advection. In contrast, the latter couples a variable Eddington factor technique with an explicit, moving-grid, conservative high-order Riemann solver with important relativistic effects treated by an effective gravitational potential. The presented study is meant to test our neutrino radiation-hydrodynamics implementations and to provide a data basis for comparisons and verifications of supernova codes to be developed in the future. Results are discussed for simulations of the core collapse and postbounce evolution of a 13 M{sub {circle_dot}} star with Newtonian gravity and a 15 M{sub {circle_dot}} star with relativistic gravity.

  12. Lattice Boltzmann methods for global linear instability analysis

    NASA Astrophysics Data System (ADS)

    Pérez, José Miguel; Aguilar, Alfonso; Theofilis, Vassilis

    2016-11-01

    Modal global linear instability analysis is performed using, for the first time ever, the lattice Boltzmann method (LBM) to analyze incompressible flows with two and three inhomogeneous spatial directions. Four linearization models have been implemented in order to recover the linearized Navier-Stokes equations in the incompressible limit. Two of those models employ the single relaxation time and have been proposed previously in the literature as linearization of the collision operator of the lattice Boltzmann equation. Two additional models are derived herein for the first time by linearizing the local equilibrium probability distribution function. Instability analysis results are obtained in three benchmark problems, two in closed geometries and one in open flow, namely the square and cubic lid-driven cavity flow and flow in the wake of the circular cylinder. Comparisons with results delivered by classic spectral element methods verify the accuracy of the proposed new methodologies and point potential limitations particular to the LBM approach. The known issue of appearance of numerical instabilities when the SRT model is used in direct numerical simulations employing the LBM is shown to be reflected in a spurious global eigenmode when the SRT model is used in the instability analysis. Although this mode is absent in the multiple relaxation times model, other spurious instabilities can also arise and are documented herein. Areas of potential improvements in order to make the proposed methodology competitive with established approaches for global instability analysis are discussed.

  13. Three-dimensional lattice Boltzmann model for electrodynamics.

    PubMed

    Mendoza, M; Muñoz, J D

    2010-11-01

    In this paper we introduce a three-dimensional Lattice-Boltzmann model that recovers in the continuous limit the Maxwell equations in materials. In order to build conservation equations with antisymmetric tensors, like the Faraday law, the model assigns four auxiliary vectors to each velocity vector. These auxiliary vectors, when combined with the distribution functions, give the electromagnetic fields. The evolution is driven by the usual Bhatnager-Gross-Krook (BGK) collision rule, but with a different form for the equilibrium distribution functions. This lattice Bhatnager-Gross-Krook (LBGK) model allows us to consider for both dielectrics and conductors with realistic parameters, and therefore it is adequate to simulate the most diverse electromagnetic problems, like the propagation of electromagnetic waves (both in dielectric media and in waveguides), the skin effect, the radiation pattern of a small dipole antenna and the natural frequencies of a resonant cavity, all with 2% accuracy. Actually, it shows to be one order of magnitude faster than the original Finite-difference time-domain (FDTD) formulation by Yee to reach the same accuracy. It is, therefore, a valuable alternative to simulate electromagnetic fields and opens lattice Boltzmann for a broad spectrum of new applications in electrodynamics.

  14. A lattice Boltzmann model for multiphase flows with large density ratio

    NASA Astrophysics Data System (ADS)

    Zheng, H. W.; Shu, C.; Chew, Y. T.

    2006-10-01

    A lattice Boltzmann model for simulating multiphase flows with large density ratios is described in this paper. The method is easily implemented. It does not require solving the Poisson equation and does not involve the complex treatments of derivative terms. The interface capturing equation is recovered without any additional terms as compared to other methods [M.R. Swift, W.R. Osborn, J.M. Yeomans, Lattice Boltzmann simulation of liquid-gas and binary fluid systems, Phys. Rev. E 54 (1996) 5041-5052; T. Inamuro, T. Ogata, S. Tajima, N. Konishi, A lattice Boltzmann method for incompressible two-phase flows with large density differences, J. Comput. Phys. 198 (2004) 628-644; T. Lee, C.-L. Lin, A stable discretization of the lattice Boltzmann equation for simulation of incompressible two-phase flows at high density ratio, J. Comput. Phys. 206 (2005) 16-47]. Besides, it requires less discrete velocities. As a result, its efficiency could be greatly improved, especially in 3D applications. It is validated by several cases: a bubble in a stationary flow and the capillary wave. The numerical surface tension obtained from the Laplace law and the interface profile agrees very well with the respective analytical solution. The method is further verified by its application to capillary wave and the bubble rising under buoyancy with comparison to other methods. All the numerical experiments show that the present approach can be used to model multiphase flows with large density ratios.

  15. Comment on ‘A low-uncertainty measurement of the Boltzmann constant’

    NASA Astrophysics Data System (ADS)

    Macnaughton, Donald B.

    2016-02-01

    The International Committee for Weights and Measures has projected a major revision of the International System of Units in which all the base units will be defined by fixing the values of certain fundamental constants of nature. To assist, de Podesta et al recently experimentally obtained a precise new estimate of the Boltzmann constant. This estimate is proposed as a basis for the redefinition of the unit of temperature, the kelvin. The present paper reports a reanalysis of de Podesta et al’s data that reveals systematic non-random patterns in the residuals of the key fitted model equation. These patterns violate the assumptions underlying the analysis and thus they raise questions about the validity of de Podesta et al’s estimate of the Boltzmann constant. An approach is discussed to address these issues, which should lead to an accurate estimate of the Boltzmann constant with a lower uncertainty.

  16. Phase segregation via Vlasov-Boltzmann particle dynamics

    SciTech Connect

    Bastea, S

    1999-01-19

    In order to better understand and model the phase segregation of binary fluids we opted for a mesoscopic description that proves to be simplifying both conceptually and computationally. The system that we studied is a mixture of two kinds of particles. All particles interact with each other through strong short-range interactions modeled by hard spheres with the same mass and diameter. There is also a smooth long-range repulsion between particles of different kinds. At low overall densities and weak enough repulsion the natural dynamical description for this system is given in terms of two coupled, energy and momentum conserving Vlasov- Boltzmann equations, making it what we call a dynamical mean-field model. The computational scheme that we used is a combination of direct sim- ulation Monte Carlo (DSMC) and particle-in-the-cell (PIC) evolution, that inherits the efficiency and robustness of these two algorithms. The DSMC is a stochastic algorithm due to Bird that consistently incorporates the as- sumptions behind the Boltzmann equation into the particle dynamics. The method is essentially the following: the physical space is divided into a net- work of cells containing typically tens of particles and the free flow of the particles over a small time interval {Delta}t is followed by representative collisions among pairs of particles sharing the same cell. The typical linear dimension of a cell is a fraction of the mean free path between collisions. The PIC method for integrating the equations of motion was first used to deal with the l/r potential in plasma physics. It takes advantage of the simple form of the Vlasov potential, which is a product in Fourier space, by calculating the densities on a grid through some weighting, then the potentials and forces on the same grid, and finally interpolating the forces at the position of each particle. These two methods can be naturally brought together by replacing the free flow of the DSMC procedure by motion in the

  17. A modified WKB formulation for linear eigenmodes of a collisionless self-gravitating disc in the epicyclic approximation

    NASA Astrophysics Data System (ADS)

    Gulati, Mamta; Saini, Tarun Deep

    2016-07-01

    The short-wave asymptotics (WKB) of spiral density waves in self-gravitating stellar discs is well suited for the study of the dynamics of tightly-wound wavepackets. But the textbook WKB theory is not well adapted to the study of the linear eigenmodes in a collisionless self-gravitating disc because of the transcendental nature of the dispersion relation. We present a modified WKB theory of spiral density waves, for collisionless discs in the epicyclic limit, in which the perturbed gravitational potential is related to the perturbed surface density by the Poisson integral in Kalnaj's logarithmic spiral form. An integral equation is obtained for the surface density perturbation, which is seen to also reduce to the standard WKB dispersion relation. Although our formulation is general and applies to all discs, we present our analysis only for nearly Keplerian, low-mass, self-gravitating discs revolving around massive central objects, and derive an integral equation governing the slow precessional modes of such discs. For a prograde disc, the integral kernel turns out be real and symmetric, implying that all slow modes are stable. We apply the slow mode integral equation to two unperturbed disc profiles, the Jalali-Tremaine annular discs, and the Kuzmin disc. We determine eigenvalues and eigenfunctions for both m = 1 and m = 2 slow modes for these profiles and discuss their properties. Our results compare well with those of Jalali-Tremaine.

  18. Lattice Boltzmann Method for Spacecraft Propellant Slosh Simulation

    NASA Technical Reports Server (NTRS)

    Orr, Jeb S.; Powers, Joseph F.; Yang, Hong Q.

    2015-01-01

    A scalable computational approach to the simulation of propellant tank sloshing dynamics in microgravity is presented. In this work, we use the lattice Boltzmann equation (LBE) to approximate the behavior of two-phase, single-component isothermal flows at very low Bond numbers. Through the use of a non-ideal gas equation of state and a modified multiple relaxation time (MRT) collision operator, the proposed method can simulate thermodynamically consistent phase transitions at temperatures and density ratios consistent with typical spacecraft cryogenic propellants, for example, liquid oxygen. Determination of the tank forces and moments relies upon the global momentum conservation of the fluid domain, and a parametric wall wetting model allows tuning of the free surface contact angle. Development of the interface is implicit and no interface tracking approach is required. Numerical examples illustrate the method's application to predicting bulk fluid motion including lateral propellant slosh in low-g conditions.

  19. Lattice Boltzmann Method for Spacecraft Propellant Slosh Simulation

    NASA Technical Reports Server (NTRS)

    Orr, Jeb S.; Powers, Joseph F.; Yang, Hong Q

    2015-01-01

    A scalable computational approach to the simulation of propellant tank sloshing dynamics in microgravity is presented. In this work, we use the lattice Boltzmann equation (LBE) to approximate the behavior of two-phase, single-component isothermal flows at very low Bond numbers. Through the use of a non-ideal gas equation of state and a modified multiple relaxation time (MRT) collision operator, the proposed method can simulate thermodynamically consistent phase transitions at temperatures and density ratios consistent with typical spacecraft cryogenic propellants, for example, liquid oxygen. Determination of the tank forces and moments is based upon a novel approach that relies on the global momentum conservation of the closed fluid domain, and a parametric wall wetting model allows tuning of the free surface contact angle. Development of the interface is implicit and no interface tracking approach is required. A numerical example illustrates the method's application to prediction of bulk fluid behavior during a spacecraft ullage settling maneuver.

  20. Wealth distribution and collective knowledge: a Boltzmann approach.

    PubMed

    Pareschi, L; Toscani, G

    2014-11-13

    We introduce and discuss a nonlinear kinetic equation of Boltzmann type that describes the influence of knowledge in the evolution of wealth in a system of agents that interact through the binary trades, an equation first introduced by Cordier et al. (2005 J. Stat. Phys. 120, 253-277 (doi:10.1007/S10955-005-5456-0)). The trades, which include both saving propensity and the risks of the market, are here modified in the risk and saving parameters, which now are assumed to depend on the personal degree of knowledge. The numerical simulations show that the presence of knowledge has the potential to produce a class of wealthy agents and to account for a larger proportion of wealth inequality.

  1. Collisionless shock experiments with lasers and observation of Weibel instabilitiesa)

    NASA Astrophysics Data System (ADS)

    Park, H.-S.; Huntington, C. M.; Fiuza, F.; Drake, R. P.; Froula, D. H.; Gregori, G.; Koenig, M.; Kugland, N. L.; Kuranz, C. C.; Lamb, D. Q.; Levy, M. C.; Li, C. K.; Meinecke, J.; Morita, T.; Petrasso, R. D.; Pollock, B. B.; Remington, B. A.; Rinderknecht, H. G.; Rosenberg, M.; Ross, J. S.; Ryutov, D. D.; Sakawa, Y.; Spitkovsky, A.; Takabe, H.; Turnbull, D. P.; Tzeferacos, P.; Weber, S. V.; Zylstra, A. B.

    2015-05-01

    Astrophysical collisionless shocks are common in the universe, occurring in supernova remnants, gamma ray bursts, and protostellar jets. They appear in colliding plasma flows when the mean free path for ion-ion collisions is much larger than the system size. It is believed that such shocks could be mediated via the electromagnetic Weibel instability in astrophysical environments without pre-existing magnetic fields. Here, we present laboratory experiments using high-power lasers and investigate the dynamics of high-Mach-number collisionless shock formation in two interpenetrating plasma streams. Our recent proton-probe experiments on Omega show the characteristic filamentary structures of the Weibel instability that are electromagnetic in nature with an inferred magnetization level as high as ˜1% [C. M. Huntington et al., "Observation of magnetic field generation via the weibel instability in interpenetrating plasma flows," Nat. Phys. 11, 173-176 (2015)]. These results imply that electromagnetic instabilities are significant in the interaction of astrophysical conditions.

  2. Exploring the nature of collisionless shocks under laboratory conditions

    PubMed Central

    Stockem, A.; Fiuza, F.; Bret, A.; Fonseca, R. A.; Silva, L. O.

    2014-01-01

    Collisionless shocks are pervasive in astrophysics and they are critical to understand cosmic ray acceleration. Laboratory experiments with intense lasers are now opening the way to explore and characterise the underlying microphysics, which determine the acceleration process of collisionless shocks. We determine the shock character – electrostatic or electromagnetic – based on the stability of electrostatic shocks to transverse electromagnetic fluctuations as a function of the electron temperature and flow velocity of the plasma components, and we compare the analytical model with particle-in-cell simulations. By making the connection with the laser parameters driving the plasma flows, we demonstrate that shocks with different and distinct underlying microphysics can be explored in the laboratory with state-of-the-art laser systems. PMID:24488212

  3. Evolution of velocity dispersion along cold collisionless flows

    SciTech Connect

    Banik, Nilanjan; Sikivie, Pierre

    2016-05-01

    We found that the infall of cold dark matter onto a galaxy produces cold collisionless flows and caustics in its halo. If a signal is found in the cavity detector of dark matter axions, the flows will be readily apparent as peaks in the energy spectrum of photons from axion conversion, allowing the densities, velocity vectors and velocity dispersions of the flows to be determined. We also discuss the evolution of velocity dispersion along cold collisionless flows in one and two dimensions. A technique is presented for obtaining the leading behaviour of the velocity dispersion near caustics. The results are used to derive an upper limit on the energy dispersion of the Big Flow from the sharpness of its nearby caustic, and a prediction for the dispersions in its velocity components.

  4. Evolution of velocity dispersion along cold collisionless flows

    DOE PAGES

    Banik, Nilanjan; Sikivie, Pierre

    2016-05-01

    We found that the infall of cold dark matter onto a galaxy produces cold collisionless flows and caustics in its halo. If a signal is found in the cavity detector of dark matter axions, the flows will be readily apparent as peaks in the energy spectrum of photons from axion conversion, allowing the densities, velocity vectors and velocity dispersions of the flows to be determined. We also discuss the evolution of velocity dispersion along cold collisionless flows in one and two dimensions. A technique is presented for obtaining the leading behaviour of the velocity dispersion near caustics. The results aremore » used to derive an upper limit on the energy dispersion of the Big Flow from the sharpness of its nearby caustic, and a prediction for the dispersions in its velocity components.« less

  5. Collisionless shock experiments with lasers and observation of Weibel instabilities

    DOE PAGES

    Park, H. -S.; Huntington, C. M.; Fiuza, F.; ...

    2015-05-13

    Astrophysical collisionless shocks are common in the universe, occurring in supernova remnants, gamma ray bursts, and protostellar jets. They appear in colliding plasma flows when the mean free path for ion-ion collisions is much larger than the system size. It is believed that such shocks could be mediated via the electromagnetic Weibel instability in astrophysical environments without preexisting magnetic fields. Here, we present laboratory experiments using high-power lasers and investigate the dynamics of high-Mach-number collisionless shock formation in two interpenetrating plasma streams. Our recent proton-probe experiments on Omega show the characteristic filamentary structures of the Weibel instability that are electromagneticmore » in nature with an inferred magnetization level as high as ~1% These results imply that electromagnetic instabilities are significant in the interaction of astrophysical conditions.« less

  6. Collisionless shock experiments with lasers and observation of Weibel instabilities

    SciTech Connect

    Park, H. -S.; Huntington, C. M.; Fiuza, F.; Drake, R. P.; Froula, D. H.; Gregori, G.; Koenig, M.; Kugland, N. L.; Kuranz, C. C.; Lamb, D. Q.; Levy, M. C.; Li, C. K.; Meinecke, J.; Morita, T.; Petrasso, R. D.; Pollock, B. B.; Remington, B. A.; Rinderknecht, H. G.; Rosenberg, M.; Ross, J. S.; Ryutov, D. D.; Sakawa, Y.; Spitkovsky, A.; Takabe, H.; Turnbull, D. P.; Tzeferacos, P.; Weber, S. V.; Zylstra, A. B.

    2015-05-13

    Astrophysical collisionless shocks are common in the universe, occurring in supernova remnants, gamma ray bursts, and protostellar jets. They appear in colliding plasma flows when the mean free path for ion-ion collisions is much larger than the system size. It is believed that such shocks could be mediated via the electromagnetic Weibel instability in astrophysical environments without preexisting magnetic fields. Here, we present laboratory experiments using high-power lasers and investigate the dynamics of high-Mach-number collisionless shock formation in two interpenetrating plasma streams. Our recent proton-probe experiments on Omega show the characteristic filamentary structures of the Weibel instability that are electromagnetic in nature with an inferred magnetization level as high as ~1% These results imply that electromagnetic instabilities are significant in the interaction of astrophysical conditions.

  7. Cross-scale coupling at a perpendicular collisionless shock

    NASA Astrophysics Data System (ADS)

    Umeda, T.; Yamao, M.; Yamazaki, R.

    2009-12-01

    A full particle simulation study is carried out on a perpendicular collisionless shock with a relatively low Alfven Mach number (MA = 5). Recent self-consistent hybrid and full particle simulations have demonstrated ion kinetics are essential for the non-stationarity of perpendicular collisionless shocks, which means that physical processes due to ion kinetics modify the shock jump condition for fluid plasmas. This is a cross-scale coupling between fluid dynamics and ion kinetics. On the other hand, it is not easy to study cross-scale coupling of electron kinetics with ion kinetics or fluid dynamics, because it is a heavy task to conduct large-scale full particle simulations of collisionless shocks. In the present study, we have performed a twodimensional (2D) electromagnetic full particle simulation with a "shock-rest-frame model". The simulation domain is taken to be larger than the ion inertial length in order to include full kinetics of both electrons and ions. The present simulation result has confirmed the transition of shock structures from the cyclic self-reformation to the quasi-stationary shock front. During the transition, electrons and ions are thermalized in the direction parallel to the shock magnetic field. Ions are thermalized by low-frequency electromagnetic waves (or rippled structures) excited by strong ion temperature anisotropy at the shock foot, while electrons are thermalized by highfrequency electromagnetic waves (or whistler mode waves) excited by electron temperature anisotropy at the shock overshoot. Ion acoustic waves are also excited at the shock overshoot where the electron parallel temperature becomes higher than the ion parallel temperature. We expect that ion acoustic waves are responsible for parallel diffusion of both electrons and ions, and that a cross-scale coupling between an ion-scale mesoscopic instability and an electron-scale microscopic instability is important for structures and dynamics of a collisionless perpendicular

  8. Simulations of collisionless shocks - Some implications for particle acceleration

    NASA Astrophysics Data System (ADS)

    Burgess, D.

    1992-08-01

    The role of self-consistent plasma simulations is discussed with reference to collisionless shock structure and the extraction of thermal particles to supra-thermal energies. Examples are given from quasi-perpendicular and parallel shock geometries. The cyclic reformation behavior of the quasi-parallel shock, as revealed by simulations, is detailed, and some implications given. Finally, some recent advances are described in the techniques of simulation of strong particle acceleration.

  9. Cross-scale coupling at a perpendicular collisionless shock

    NASA Astrophysics Data System (ADS)

    Umeda, Takayuki; Yamao, Masahiro; Kidani, Yoshitaka; Yamazaki, Ryo

    A full particle simulation study is carried out on a perpendicular collisionless shock with a relatively low Alfven Mach number (MA = 5). Recent self-consistent hybrid and full particle simulations have demonstrated ion kinetics are essential for the non-stationarity of perpendicu-lar collisionless shocks, which means that physical processes due to ion kinetics modify the shock jump condition for fluid plasmas. This is a cross-scale coupling between fluid dynamics and ion kinetics. On the other hand, it is not easy to study cross-scale coupling of electron kinetics with ion kinetics or fluid dynamics, because it is a heavy task to conduct large-scale full particle simulations of collisionless shocks. In the present study, we have performed a two-dimensional (2D) electromagnetic full particle simulation with a "shock-rest-frame model". The simulation domain is taken to be larger than the ion inertial length in order to include full kinetics of both electrons and ions. The present simulation result has confirmed the transition of shock structures from the cyclic self-reformation to a turbulent shock front. During the transition, electrons and ions are thermalized in the direction parallel to the shock magnetic field. Ions are thermalized by low-frequency electromagnetic waves (or rippled structures) excited by strong ion temperature anisotropy at the shock foot, while electrons are thermalized by high-frequency electromagnetic waves (or whistler mode waves) excited by electron temperature anisotropy at the shock overshoot. Ion acoustic waves are also excited at the shock overshoot where the electron parallel temperature becomes higher than the ion parallel temperature. We expect that ion acoustic waves are responsible for paralleldiffusion of both electrons and ions, and that a cross-scale coupling between an ion-scale mesoscopic instability and an electron-scale microscopic instability is important for structures and dynamics of a collisionless perpendicular shock.

  10. Cross-scale coupling at a perpendicular collisionless shock

    NASA Astrophysics Data System (ADS)

    Umeda, Takayuki; Yamao, Masahiro; Yamazaki, Ryo

    2011-05-01

    A full particle simulation study is carried out on a perpendicular collisionless shock with a relatively low Alfven Mach number ( M A = 5). Recent self-consistent hybrid and full particle simulations have demonstrated ion kinetics are essential for the non-stationarity of perpendicular collisionless shocks, which means that physical processes due to ion kinetics modify the shock jump condition for fluid plasmas. This is a cross-scale coupling between fluid dynamics and ion kinetics. On the other hand, it is not easy to study cross-scale coupling of electron kinetics with ion kinetics or fluid dynamics, because it is a heavy task to conduct large-scale full particle simulations of collisionless shocks. In the present study, we have performed a two-dimensional (2D) electromagnetic full particle simulation with a "shock-rest-frame model". The simulation domain is taken to be larger than the ion inertial length in order to include full kinetics of both electrons and ions. The present simulation result has confirmed the transition of shock structures from the cyclic self-reformation to the quasi-stationary shock front. During the transition, electrons and ions are thermalized in the direction parallel to the shock magnetic field. Ions are thermalized by low-frequency electromagnetic waves (or rippled structures) excited by strong ion temperature anisotropy at the shock foot, while electrons are thermalized by high-frequency electromagnetic waves (or whistler mode waves) excited by electron temperature anisotropy at the shock overshoot. Ion acoustic waves are also excited at the shock overshoot where the electron parallel temperature becomes higher than the ion parallel temperature. We expect that ion acoustic waves are responsible for parallel diffusion of both electrons and ions, and that a cross-scale coupling between an ion-scale mesoscopic instability and an electron-scale microscopic instability is important for structures and dynamics of a collisionless

  11. Collisionless Reconnection in an Electron-Positron Plasma

    SciTech Connect

    Bessho, N.; Bhattacharjee, A.

    2005-12-09

    Electromagnetic particle-in-cell simulations of fast collisionless reconnection in a two-dimensional electron-positron plasma (without an equilibrium guide field) are presented. A generalized Ohm's law in which the Hall current cancels out exactly is given. It is suggested that the key to fast reconnection in this plasma is the localization caused by the off-diagonal components of the pressure tensors, which produce an effect analogous to a spatially localized resistivity.

  12. Collisionless pitch-angle scattering of runaway electrons

    NASA Astrophysics Data System (ADS)

    Liu, Jian; Wang, Yulei; Qin, Hong

    2016-06-01

    It is discovered that the tokamak field geometry generates a toroidicity induced broadening of the pitch-angle distribution of runaway electrons. This collisionless pitch-angle scattering is much stronger than the collisional scattering and invalidates the gyro-center model for runaway electrons. As a result, the energy limit of runaway electrons is found to be larger than the prediction of the gyro-center model and to depend heavily on the background magnetic field.

  13. Numerical Simulations of Collisionless Shock Formation in Merging Plasma Jet Experiments

    DTIC Science & Technology

    2013-06-01

    the interaction. I. INTRODUCTION Collisionless shocks play an important role in energy transport and evolution of charged-particle distribution...functions in space and astrophysical environments. Although collisionless shocks in plasmas were first predicted in the 1950s [1] and discovered in...laboratory collisionless shock experiments stems from the fact that modern laboratory plasmas can satisfy key physics criteria for the shocks to

  14. Accuracy of non-Newtonian Lattice Boltzmann simulations

    NASA Astrophysics Data System (ADS)

    Conrad, Daniel; Schneider, Andreas; Böhle, Martin

    2015-11-01

    This work deals with the accuracy of non-Newtonian Lattice Boltzmann simulations. Previous work for Newtonian fluids indicate that, depending on the numerical value of the dimensionless collision frequency Ω, additional artificial viscosity is introduced, which negatively influences the accuracy. Since the non-Newtonian fluid behavior is incorporated through appropriate modeling of the dimensionless collision frequency, a Ω dependent error EΩ is introduced and its influence on the overall error is investigated. Here, simulations with the SRT and the MRT model are carried out for power-law fluids in order to numerically investigate the accuracy of non-Newtonian Lattice Boltzmann simulations. A goal of this accuracy analysis is to derive a recommendation for an optimal choice of the time step size and the simulation Mach number, respectively. For the non-Newtonian case, an error estimate for EΩ in the form of a functional is derived on the basis of a series expansion of the Lattice Boltzmann equation. This functional can be solved analytically for the case of the Hagen-Poiseuille channel flow of non-Newtonian fluids. With the help of the error functional, the prediction of the global error minimum of the velocity field is excellent in regions where the EΩ error is the dominant source of error. With an optimal simulation Mach number, the simulation is about one order of magnitude more accurate. Additionally, for both collision models a detailed study of the convergence behavior of the method in the non-Newtonian case is conducted. The results show that the simulation Mach number has a major impact on the convergence rate and second order accuracy is not preserved for every choice of the simulation Mach number.

  15. Kinetic lattice Boltzmann method for microscale gas flows: issues on boundary condition, relaxation time, and regularization.

    PubMed

    Niu, Xiao-Dong; Hyodo, Shi-Aki; Munekata, Toshihisa; Suga, Kazuhiko

    2007-09-01

    It is well known that the Navier-Stokes equations cannot adequately describe gas flows in the transition and free-molecular regimes. In these regimes, the Boltzmann equation (BE) of kinetic theory is invoked to govern the flows. However, this equation cannot be solved easily, either by analytical techniques or by numerical methods. Hence, in order to efficiently maneuver around this equation for modeling microscale gas flows, a kinetic lattice Boltzmann method (LBM) has been introduced in recent years. This method is regarded as a numerical approach for solving the BE in discrete velocity space with Gauss-Hermite quadrature. In this paper, a systematic description of the kinetic LBM, including the lattice Boltzmann equation, the diffuse-scattering boundary condition for gas-surface interactions, and definition of the relaxation time, is provided. To capture the nonlinear effects due to the high-order moments and wall boundaries, an effective relaxation time and a modified regularization procedure of the nonequilibrium part of the distribution function are further presented based on previous work [Guo et al., J. Appl. Phys. 99, 074903 (2006); Shan et al., J. Fluid Mech. 550, 413 (2006)]. The capability of the kinetic LBM of simulating microscale gas flows is illustrated based on the numerical investigations of micro Couette and force-driven Poiseuille flows.

  16. Parallel collisionless shocks forming in simulations of the LAPD experiment

    NASA Astrophysics Data System (ADS)

    Weidl, Martin S.; Jenko, Frank; Niemann, Chris; Winske, Dan

    2016-10-01

    Research on parallel collisionless shocks, most prominently occurring in the Earth's bow shock region, has so far been limited to satellite measurements and simulations. However, the formation of collisionless shocks depends on a wide range of parameters and scales, which can be accessed more easily in a laboratory experiment. Using a kJ-class laser, an ongoing experimental campaign at the Large Plasma Device (LAPD) at UCLA is expected to produce the first laboratory measurements of the formation of a parallel collisionless shock. We present hybrid kinetic/MHD simulations that show how beam instabilities in the background plasma can be driven by ablating carbon ions from a target, causing non-linear density oscillations which develop into a propagating shock front. The free-streaming carbon ions can excite both the resonant right-hand instability and the non-resonant firehose mode. We analyze their respective roles and discuss optimizing their growth rates to speed up the process of shock formation.

  17. Collisionless Zonal Flow Saturation for Weak Magnetic Shear

    NASA Astrophysics Data System (ADS)

    Lu, Zhixin; Wang, Weixing; Diamond, Patrick; Ashourvan, Arash; Tynan, George

    2015-11-01

    The damping of the zonal flow, either collisional or collisionless, plays an important role in regulating the drift wave-zonal flow system, and can affect the transport and confinement. The tertiary instability, e.g., a generalized Kelvin-Helmholtz (KH) instability driven by flow shear, has been suggested theoretically as a possible damping mechanism [Rogers 2000 PRL, Diamond 2005 PPCF]. The sensitivity of the tertiary mode to magnetic shear has not been quantified, especially in weak magnetic shear regimes. In this work, parametric scans using gyrokinetic simulation demonstrate that the zonal electric field energy normalized by the turbulence electric field energy decreases as magnetic shear decreases. With ITG drive artificially eliminated, the time evolution of the zonal structure indicates that the zonal electric field damps more rapidly at weak shear. This suggests larger collisionless zonal flow damping or larger effective turbulent viscosity at weak magnetic shear. The effects of the zonal components of specific variables, e.g., the parallel shear flow and the radial electric field, on tertiary instability, are also studied. Quantitative studies on the magnetic shear scaling of tertiary instability excitation and the collisionless zonal flow saturation are ongoing.

  18. Vlasov simulations of collisionless magnetic reconnection without background density

    NASA Astrophysics Data System (ADS)

    Schmitz, H.; Grauer, R.

    2008-02-01

    A standard starting point for the simulation of collisionless reconnection is the Harris equilibrium which is made up of a current sheet that separates two regions of opposing magnetic field. Magnetohydrodynamic simulations of collisionless reconnection usually include a homogeneous background density for reasons of numerical stability. While, in some cases, this is a realistic assumption, the background density may introduce new effects both due to the more involved structure of the distribution function or due to the fact that the Alfvèn speed remains finite far away from the current sheet. We present a fully kinetic Vlasov simulation of the perturbed Harris equilibrium using a Vlasov code. Parameters are chosen to match the Geospace Environment Modeling (GEM) Magnetic Reconnection Challenge but excluding the background density. This allows to compare with earlier simulations [Schmitz H, Grauer R. Kinetic Vlasov simulations of collisionless magnetic reconnection. Phys Plasmas 2006;13:092309] which include the background density. It is found that the absence of a background density causes the reconnection rate to be higher. On the other hand, the time until the onset of reconnection is hardly affected. Again the off diagonal elements of the pressure tensor are found to be important on the X-line but with modified importance for the individual terms.

  19. Solving Boltzmann and Fokker-Planck Equations Using Sparse Representation

    DTIC Science & Technology

    2011-05-31

    material science. We have com- puted the electronic structure of 2D quantum dot system, and compared the efficiency with the benchmark software OCTOPUS . For...one self-consistent iteration step with 512 electrons, OCTOPUS costs 1091 sec, and selected inversion costs 9.76 sec. The algorithm exhibits

  20. Progress in developing Poisson-Boltzmann equation solvers

    PubMed Central

    Li, Chuan; Li, Lin; Petukh, Marharyta; Alexov, Emil

    2013-01-01

    This review outlines the recent progress made in developing more accurate and efficient solutions to model electrostatics in systems comprised of bio-macromolecules and nano-objects, the last one referring to objects that do not have biological function themselves but nowadays are frequently used in biophysical and medical approaches in conjunction with bio-macromolecules. The problem of modeling macromolecular electrostatics is reviewed from two different angles: as a mathematical task provided the specific definition of the system to be modeled and as a physical problem aiming to better capture the phenomena occurring in the real experiments. In addition, specific attention is paid to methods to extend the capabilities of the existing solvers to model large systems toward applications of calculations of the electrostatic potential and energies in molecular motors, mitochondria complex, photosynthetic machinery and systems involving large nano-objects. PMID:24199185

  1. Turbulence in collisionless plasmas: statistical analysis from numerical simulations with pressure anisotropy

    NASA Astrophysics Data System (ADS)

    Kowal, G.; Falceta-Gonçalves, D. A.; Lazarian, A.

    2011-05-01

    In recent years, we have experienced increasing interest in the understanding of the physical properties of collisionless plasmas, mostly because of the large number of astrophysical environments (e.g. the intracluster medium (ICM)) containing magnetic fields that are strong enough to be coupled with the ionized gas and characterized by densities sufficiently low to prevent the pressure isotropization with respect to the magnetic line direction. Under these conditions, a new class of kinetic instabilities arises, such as firehose and mirror instabilities, which have been studied extensively in the literature. Their role in the turbulence evolution and cascade process in the presence of pressure anisotropy, however, is still unclear. In this work, we present the first statistical analysis of turbulence in collisionless plasmas using three-dimensional numerical simulations and solving double-isothermal magnetohydrodynamic equations with the Chew-Goldberger-Low laws closure (CGL-MHD). We study models with different initial conditions to account for the firehose and mirror instabilities and to obtain different turbulent regimes. We found that the CGL-MHD subsonic and supersonic turbulences show small differences compared to the MHD models in most cases. However, in the regimes of strong kinetic instabilities, the statistics, i.e. the probability distribution functions (PDFs) of density and velocity, are very different. In subsonic models, the instabilities cause an increase in the dispersion of density, while the dispersion of velocity is increased by a large factor in some cases. Moreover, the spectra of density and velocity show increased power at small scales explained by the high growth rate of the instabilities. Finally, we calculated the structure functions of velocity and density fluctuations in the local reference frame defined by the direction of magnetic lines. The results indicate that in some cases the instabilities significantly increase the anisotropy of

  2. Non-Boltzmann Modeling for Air Shock-Layer Radiation at Lunar-Return Conditions

    NASA Technical Reports Server (NTRS)

    Johnston, Christopher O.; Hollis, Brian R.; Sutton, Kenneth

    2008-01-01

    This paper investigates the non-Boltzmann modeling of the radiating atomic and molecular electronic states present in lunar-return shock-layers. The Master Equation is derived for a general atom or molecule while accounting for a variety of excitation and de-excitation mechanisms. A new set of electronic-impact excitation rates is compiled for N, O, and N2+, which are the main radiating species for most lunar-return shock-layers. Based on these new rates, a novel approach of curve-fitting the non-Boltzmann populations of the radiating atomic and molecular states is developed. This new approach provides a simple and accurate method for calculating the atomic and molecular non-Boltzmann populations while avoiding the matrix inversion procedure required for the detailed solution of the Master Equation. The radiative flux values predicted by the present detailed non-Boltzmann model and the approximate curve-fitting approach are shown to agree within 5% for the Fire 1634 s case.

  3. Revised lattice Boltzmann model for traffic flow with equilibrium traffic pressure

    NASA Astrophysics Data System (ADS)

    Shi, Wei; Lu, Wei-Zhen; Xue, Yu; He, Hong-Di

    2016-02-01

    A revised lattice Boltzmann model concerning the equilibrium traffic pressure is proposed in this study to tackle the phase transition phenomena of traffic flow system. The traditional lattice Boltzmann model has limitation to investigate the complex traffic phase transitions due to its difficulty for modeling the equilibrium velocity distribution. Concerning this drawback, the equilibrium traffic pressure is taken into account to derive the equilibrium velocity distribution in the revised lattice Boltzmann model. In the proposed model, a three-dimensional velocity-space is assumed to determine the equilibrium velocity distribution functions and an alternative, new derivative approach is introduced to deduct the macroscopic equations with the first-order accuracy level from the lattice Boltzmann model. Based on the linear stability theory, the stability conditions of the corresponding macroscopic equations can be obtained. The outputs indicate that the stability curve is divided into three regions, i.e., the stable region, the neutral stability region, and the unstable region. In the stable region, small disturbance appears in the initial uniform flow and will vanish after long term evolution, while in the unstable region, the disturbance will be enlarged and finally leads to the traffic system entering the congested state. In the neutral stability region, small disturbance does not vanish with time and maintains its amplitude in the traffic system. Conclusively, the stability of traffic system is found to be enhanced as the equilibrium traffic pressure increases. Finally, the numerical outputs of the proposed model are found to be consistent with the recognized, theoretical results.

  4. Computing association probabilities using parallel Boltzmann machines.

    PubMed

    Iltis, R A; Ting, P Y

    1993-01-01

    A new computational method is presented for solving the data association problem using parallel Boltzmann machines. It is shown that the association probabilities can be computed with arbitrarily small errors if a sufficient number of parallel Boltzmann machines are available. The probability beta(i)(j) that the i th measurement emanated from the jth target can be obtained simply by observing the relative frequency with which neuron v(i,j) in a two-dimensional network is on throughout the layers. Some simple tracking examples comparing the performance of the Boltzmann algorithm to the exact data association solution and with the performance of an alternative parallel method using the Hopfield neural network are also presented.

  5. A Field-Particle Correlation Technique to Explore the Collisionless Damping of Plasma Turbulence

    NASA Astrophysics Data System (ADS)

    Klein, Kristopher

    2016-10-01

    The nature of the dominant mechanisms which damp turbulent electromagnetic fluctuations remains an unanswered question in the study of a variety of collisionless plasma systems. Proposed damping mechanisms can be generally, but not exclusively, classified as resonant, e.g. Landau and cyclotron damping, non-resonant, e.g. stochastic ion heating, and intermittent, e.g. energization via current sheets or magnetic reconnection. To determine the role these mechanisms play in turbulent plasmas, we propose the application of field-particle correlations to time series of single spatial point observations of the type typically measured in the solar wind. This correlation, motivated by the form of the collisionless Vlasov equation, is the time averaged product of the factors comprising the nonlinear field-particle interaction term. The correlation both captures the secular transfer of energy between fields and perturbed plasma distributions by averaging out the conservative oscillatory energy transfer, and retains the velocity space structure of the secular transfer, allowing for observational characterization of the damping mechanism. Field-particle correlations are applied to a set of nonlinear kinetic numerical simulations of increasing complexity, including electrostatic, gyrokinetic, and hybrid Vlasov-Maxwell systems. These correlations are shown to capture the secular energy transfer between fields and particles and distinguish between the mechanisms accessible to the chosen system. We conclude with a discussion of the application of this general technique to data from current and upcoming spacecraft missions, including MMS, DSCOVR, Solar Probe Plus and THOR, which should help in determining which damping mechanisms operate in a variety of heliospheric plasmas. This work was performed in collaboration with Gregory Howes, Jason TenBarge, Nuno Loureiro, Ryusuke Numata, Francesco Valetini, Oreste Pezzi, Matt Kunz, Justin Kasper, and Chris Chen, with support from Grants

  6. Viscous QCD matter in a hybrid hydrodynamic+Boltzmann approach

    SciTech Connect

    Song Huichao; Bass, Steffen A.; Heinz, Ulrich

    2011-02-15

    A hybrid transport approach for the bulk evolution of viscous QCD matter produced in ultra-relativistic heavy-ion collisions is presented. The expansion of the dense deconfined phase of the reaction is modeled with viscous hydrodynamics, while the dilute late hadron gas stage is described microscopically by the Boltzmann equation. The advantages of such a hybrid approach lie in the improved capability of handling large dissipative corrections in the late dilute phase of the reaction, including a realistic treatment of the nonequilibrium hadronic chemistry and kinetic freeze-out. By varying the switching temperature at which the hydrodynamic output is converted to particles for further propagation with the Boltzmann cascade we test the ability of the macroscopic hydrodynamic approach to emulate the microscopic evolution during the hadronic stage and extract the temperature dependence of the effective shear viscosity of the hadron resonance gas produced in the collision. We find that the extracted values depend on the prior hydrodynamic history and hence do not represent fundamental transport properties of the hadron resonance gas. We conclude that viscous fluid dynamics does not provide a faithful description of hadron resonance gas dynamics with predictive power, and that both components of the hybrid approach are needed for a quantitative description of the fireball expansion and its freeze-out.

  7. Lattice Boltzmann Method for 3-D Flows with Curved Boundary

    NASA Technical Reports Server (NTRS)

    Mei, Renwei; Shyy, Wei; Yu, Dazhi; Luo, Li-Shi

    2002-01-01

    In this work, we investigate two issues that are important to computational efficiency and reliability in fluid dynamics applications of the lattice, Boltzmann equation (LBE): (1) Computational stability and accuracy of different lattice Boltzmann models and (2) the treatment of the boundary conditions on curved solid boundaries and their 3-D implementations. Three athermal 3-D LBE models (D3QI5, D3Ql9, and D3Q27) are studied and compared in terms of efficiency, accuracy, and robustness. The boundary treatment recently developed by Filippova and Hanel and Met et al. in 2-D is extended to and implemented for 3-D. The convergence, stability, and computational efficiency of the 3-D LBE models with the boundary treatment for curved boundaries were tested in simulations of four 3-D flows: (1) Fully developed flows in a square duct, (2) flow in a 3-D lid-driven cavity, (3) fully developed flows in a circular pipe, and (4) a uniform flow over a sphere. We found that while the fifteen-velocity 3-D (D3Ql5) model is more prone to numerical instability and the D3Q27 is more computationally intensive, the 63Q19 model provides a balance between computational reliability and efficiency. Through numerical simulations, we demonstrated that the boundary treatment for 3-D arbitrary curved geometry has second-order accuracy and possesses satisfactory stability characteristics.

  8. Fast Lattice Boltzmann Solver for Relativistic Hydrodynamics

    SciTech Connect

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

    2010-07-02

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

  9. Derivation of Hydrodynamic Equations for Binary Gas Mixture

    SciTech Connect

    Kuwabara, Sinzi; Yoshimura, Kazuyoshi

    2011-05-20

    Velocities, densities, pressures, stresses, temperatures, heat fluxes and internal energies of each gas are individually defined. Moment equations for mass, momentum and energy of both gases are separately derived on basis of Boltzmann equations. Momentum equations have velocity relaxation terms between different gases and energy equations have velocity and temperature relaxation terms between those.

  10. An axisymmetric multiple-relaxation-time lattice Boltzmann scheme

    NASA Astrophysics Data System (ADS)

    Xie, Wenjun

    2015-01-01

    A multiple-relaxation-time (MRT) lattice Boltzmann (LB) scheme developed for axisymmetric flows recovers the complete continuity and Navier-Stokes equations. This scheme follows the strategy of the standard D2Q9 model by using a single particle distribution function and a simple "collision-streaming" updating rule. The extra terms related to axisymmetry in the macroscopic equations are recovered by adding source terms into the LB equation, which are simple and involve no gradients. The compressible effect retained in the Navier-Stokes equations is recovered by introducing a term related to the reversed transformation matrix for MRT collision operator, so as to produce a correct bulk viscosity, making it suitable for compressible flows with high frequency and low Mach number. The validity of the scheme is demonstrated by testing the Hagen-Poiseuille flow and 3D Womersley flow, as well as the standing acoustic waves in a closed cylindrical chamber. The numerical experiments show desirable stability at low viscosities, enabling to simulate a standing ultrasound field in centimeters space.

  11. A Boltzmann treatment for the vorton excess problem

    SciTech Connect

    Peter, Patrick; Ringeval, Christophe E-mail: christophe.ringeval@uclouvain.be

    2013-05-01

    We derive and solve a Boltzmann equation governing the cosmological evolution of the number density of current carrying cosmic string loops, whose centrifugally supported equilibrium configurations are also referred to as vortons. The phase space is three-dimensional and consists of the time variable, the loop size, and a conserved quantum number. Our approach includes gravitational wave emission, a possibly finite lifetime for the vortons and works with any initial loop distribution and for any loop production function. We then show how our results generalize previous approaches on the vorton excess problem by tracking down the time evolution of the various sub-populations of current-carrying loops in a string network.

  12. Slits, plates, and Poisson-Boltzmann theory in a local formulation of nonlocal electrostatics.

    PubMed

    Paillusson, Fabien; Blossey, Ralf

    2010-11-01

    Polar liquids like water carry a characteristic nanometric length scale, the correlation length of orientation polarizations. Continuum theories that can capture this feature commonly run under the name of "nonlocal" electrostatics since their dielectric response is characterized by a scale-dependent dielectric function ε(q), where q is the wave vector; the Poisson(-Boltzmann) equation then turns into an integro-differential equation. Recently, "local" formulations have been put forward for these theories and applied to water, solvated ions, and proteins. We review the local formalism and show how it can be applied to a structured liquid in slit and plate geometries, and solve the Poisson-Boltzmann theory for a charged plate in a structured solvent with counterions. Our results establish a coherent picture of the local version of nonlocal electrostatics and show its ease of use when compared to the original formulation.

  13. Beyond Poisson-Boltzmann: fluctuations and fluid structure in a self-consistent theory

    NASA Astrophysics Data System (ADS)

    Buyukdagli, S.; Blossey, R.

    2016-09-01

    Poisson-Boltzmann (PB) theory is the classic approach to soft matter electrostatics and has been applied to numerous physical chemistry and biophysics problems. Its essential limitations are in its neglect of correlation effects and fluid structure. Recently, several theoretical insights have allowed the formulation of approaches that go beyond PB theory in a systematic way. In this topical review, we provide an update on the developments achieved in the self-consistent formulations of correlation-corrected Poisson-Boltzmann theory. We introduce a corresponding system of coupled non-linear equations for both continuum electrostatics with a uniform dielectric constant, and a structured solvent—a dipolar Coulomb fluid—including non-local effects. While the approach is only approximate and also limited to corrections in the so-called weak fluctuation regime, it allows us to include physically relevant effects, as we show for a range of applications of these equations.

  14. Kinetic theory of correlated fluids: from dynamic density functional to Lattice Boltzmann methods.

    PubMed

    Marconi, Umberto Marini Bettolo; Melchionna, Simone

    2009-07-07

    Using methods of kinetic theory and liquid state theory we propose a description of the nonequilibrium behavior of molecular fluids, which takes into account their microscopic structure and thermodynamic properties. The present work represents an alternative to the recent dynamic density functional theory, which can only deal with colloidal fluids and is not apt to describe the hydrodynamic behavior of a molecular fluid. The method is based on a suitable modification of the Boltzmann transport equation for the phase space distribution and provides a detailed description of the local structure of the fluid and its transport coefficients. Finally, we propose a practical scheme to solve numerically and efficiently the resulting kinetic equation by employing a discretization procedure analogous to the one used in the Lattice Boltzmann method.

  15. Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum

    NASA Astrophysics Data System (ADS)

    Schnieders, Michael J.; Baker, Nathan A.; Ren, Pengyu; Ponder, Jay W.

    2007-03-01

    Modeling the change in the electrostatics of organic molecules upon moving from vacuum into solvent, due to polarization, has long been an interesting problem. In vacuum, experimental values for the dipole moments and polarizabilities of small, rigid molecules are known to high accuracy; however, it has generally been difficult to determine these quantities for a polar molecule in water. A theoretical approach introduced by Onsager [J. Am. Chem. Soc. 58, 1486 (1936)] used vacuum properties of small molecules, including polarizability, dipole moment, and size, to predict experimentally known permittivities of neat liquids via the Poisson equation. Since this important advance in understanding the condensed phase, a large number of computational methods have been developed to study solutes embedded in a continuum via numerical solutions to the Poisson-Boltzmann equation. Only recently have the classical force fields used for studying biomolecules begun to include explicit polarization in their functional forms. Here the authors describe the theory underlying a newly developed polarizable multipole Poisson-Boltzmann (PMPB) continuum electrostatics model, which builds on the atomic multipole optimized energetics for biomolecular applications (AMOEBA) force field. As an application of the PMPB methodology, results are presented for several small folded proteins studied by molecular dynamics in explicit water as well as embedded in the PMPB continuum. The dipole moment of each protein increased on average by a factor of 1.27 in explicit AMOEBA water and 1.26 in continuum solvent. The essentially identical electrostatic response in both models suggests that PMPB electrostatics offers an efficient alternative to sampling explicit solvent molecules for a variety of interesting applications, including binding energies, conformational analysis, and pKa prediction. Introduction of 150mM salt lowered the electrostatic solvation energy between 2 and 13kcal /mole, depending on

  16. Collisionless electron heating by radio frequency bias in low gas pressure inductive discharge

    SciTech Connect

    Lee, Hyo-Chang; Chung, Chin-Wook

    2012-12-10

    We show experimental observations of collisionless electron heating by the combinations of the capacitive radio frequency (RF) bias power and the inductive power in low argon gas pressure RF biased inductively coupled plasma (ICP). With small RF bias powers in the ICP, the electron energy distribution (EED) evolved from bi-Maxwellian distribution to Maxwellian distribution by enhanced plasma bulk heating and the collisionless sheath heating was weak. In the capacitive RF bias dominant regime, however, high energy electrons by the RF bias were heated on the EEDs in the presence of the ICP. The collisionless heating mechanism of the high energy electrons transited from collisionless inductive heating to capacitive coupled collisionless heating by the electron bounce resonance in the RF biased ICP.

  17. New Measure of the Dissipation Region in Collisionless Magnetic Reconnection

    SciTech Connect

    Zenitani, Seiji; Hesse, Michael; Klimas, Alex; Kuznetsova, Masha

    2011-05-13

    A new measure to identify a small-scale dissipation region in collisionless magnetic reconnection is proposed. The energy transfer from the electromagnetic field to plasmas in the electron's rest frame is formulated as a Lorentz-invariant scalar quantity. The measure is tested by two-dimensional particle-in-cell simulations in typical configurations: symmetric and asymmetric reconnection, with and without the guide field. The innermost region surrounding the reconnection site is accurately located in all cases. We further discuss implications for nonideal MHD dissipation.

  18. How to Patch Active Plasma and Collisionless Sheath: Pragmatical Guide

    NASA Astrophysics Data System (ADS)

    Shneider, Mikhail N.; Kaganovich, Igor D.

    2002-11-01

    Most plasmas have very thin sheath compared with plasma dimension. This necessitates separate calculation of plasma and sheath. Bohm criterion provides boundary condition for calculation of plasma profiles. To calculate sheath properties a value of electric field at the plasma-sheath interface has to be specified in addition to Bohm criterion. The value of the boundary electric field and robust procedure to approximately patch plasma and collisionless sheath with a very good accuracy is reported. Additional information on the subject will be posted in http://www.pppl.gov/pub/report/2002/ http://arxiv.org/abs/physics/ Work supported by the Princeton Plasma Physics Laboratory through a University Research Support Program.

  19. Entropy production rate as a constraint for collisionless fluid closures

    SciTech Connect

    Fleurence, E.; Sarazin, Y.; Garbet, X.; Dif-Pradalier, G.; Ghendrih, Ph.; Grandgirard, V.; Ottaviani, M.

    2006-11-30

    A novel method is proposed to construct collisionless fluid closures accounting for some kinetic properties. The first dropped fluid moment is assumed to be a linear function of the lower order ones. Optimizing the agreement between the fluid and kinetic entropy production rates is used to constrain the coefficients of the linear development. This procedure is applied to a reduced version of the interchange instability. The closure, involving the absolute value of the wave vector, is non-local in real space. In this case, the linear instability thresholds are the same, and the linear growth rates exhibit similar characteristics. Such a method is applicable to other models and classes of instabilities.

  20. A new fast reconnection model in a collisionless regime

    SciTech Connect

    Tsiklauri, David

    2008-11-15

    Based on the first principles [i.e., (i) by balancing the magnetic field advection with the term containing electron pressure tensor nongyrotropic components in the generalized Ohm's law; (ii) using the conservation of mass; and (iii) assuming that the weak magnetic field region width, where electron meandering motion supports electron pressure tensor off-diagonal (nongyrotropic) components, is of the order of electron Larmor radius] a simple model of magnetic reconnection in a collisionless regime is formulated. The model is general, resembling its collisional Sweet-Parker analog in that it is not specific to any initial configuration, e.g., Harris-type tearing unstable current sheet, X-point collapse or otherwise. In addition to its importance from the fundamental point of view, the collisionless reconnection model offers a much faster reconnection rate [M{sub c{sup '}}{sub less}=(c/{omega}{sub pe}){sup 2}/(r{sub L,e}L)] than Sweet-Parker's classical one (M{sub sp}=S{sup -1/2}). The width of the diffusion region (current sheet) in the collisionless regime is found to be {delta}{sub c{sup '}}{sub less}=(c/{omega}{sub pe}){sup 2}/r{sub L,e}, which is independent of the global reconnection scale L and is only prescribed by microphysics (electron inertial length, c/{omega}{sub pe}, and electron Larmor radius, r{sub L,e}). Amongst other issues, the fastness of the reconnection rate alleviates, e.g., the problem of interpretation of solar flares by means of reconnection, as for the typical solar coronal parameters the obtained collisionless reconnection time can be a few minutes, as opposed to Sweet-Parker's equivalent value of less than a day. The new theoretical reconnection rate is compared to the Magnetic Reconnection Experiment device experimental data by Yamada et al. [Phys. Plasmas 13, 052119 (2006)] and Ji et al. [Geophys. Res. Lett. 35, 13106 (2008)], and a good agreement is obtained.

  1. A mean field Ohm's law for collisionless plasmas

    SciTech Connect

    Biglari, H. ); Diamond, P.H. )

    1993-11-01

    A mean field Ohm's law valid for collisionless plasmas is derived kinetically. It is shown that contrary to conventional thinking, the resulting hyperresistivity is significantly smaller than its fluid counterpart due to the fact that the turbulent decorrelation rate is linked to the rapid electron ballistic motion rather than the slower nonlinear mixing time. Moreover, the off-diagonal contributions to the parallel electron momentum flux are shown to result in Ohm's law renormalizations that dwarf the current diffusivity and break radial parity symmetry.

  2. The role of electron heating in electromagnetic collisionless shock formation

    NASA Astrophysics Data System (ADS)

    Bochkarev, S. G.; d'Humières, E.; Korneev, Ph.; Bychenkov, V. Yu.; Tikhonchuk, V.

    2015-12-01

    The role of electron dynamics in the process of a collisionless shock formation is analyzed with particle-in-cell simulations, the test-particles method, and quasilinear theory. The model of electron stochastic heating in turbulent electromagnetic fields corresponding to the nonlinear stage of two-stream and Weibel instabilities is developed. The analysis of electron and field heating rates shows that the ion motion provides the energy supply for a significant continuous heating of electrons. Such a heating thus plays a role of a friction force for ions, leading to their deceleration and a shock formation.

  3. Generation of collisionless shock in laser-produced plasmas

    NASA Astrophysics Data System (ADS)

    Fiuza, Frederico

    2015-08-01

    Collisionless shocks are ubiquitous in astrophysical environments and are tightly connected with magnetic-field amplification and particle acceleration. The fast progress in high-power laser technology is bringing the study of high Mach number shocks into the realm of laboratory plasmas, where in situ measurements can be made helping us understand the fundamental kinetic processes behind shocks. I will discuss the recent progress in laser-driven shock experiments at state-of-the-art facilities like NIF and Omega and how these results, together with ab initio massively parallel simulations, can impact our understanding of magnetic field amplification and particle acceleration in astrophysical plasmas.

  4. Extending Magnetohydrodynamics to the Slow Dynamics of Collisionless Plasmas

    NASA Technical Reports Server (NTRS)

    Passot, T.; Sulem, P. L.; Hunana, P.

    2012-01-01

    A fluid approach aimed to provide a consistent description of the slow dynamics of a collisionless plasma, is presented. In this regime, both Landau damping and finite Larmor radius effects cannot be ignored. Two models are discussed; one retains the dynamics at sub-ionic scales, while the other is restricted to scales larger than the ion gyroscale. Special attention is paid to the capability of these approaches to accurately reproduce the properties of linear waves that are known to play an important role, for example, in the small-scale dynamics of solar wind turbulence.

  5. Reconnection properties in collisionless plasma with open boundary conditions

    SciTech Connect

    Sun, H. E.; Ma, Z. W.; Huang, J.

    2014-07-15

    Collisionless magnetic reconnection in a Harris current sheet with different initial thicknesses is investigated using a 21/2 -D Darwin particle-in-cell simulation with the magnetosonic open boundary condition. It is found that the thicknesses of the ion dissipation region and the reconnection current sheet, when the reconnection rate E{sub r} reaches its first peak, are independent of the initial thickness of the current sheet; while the peak reconnection rate depends on it. The peak reconnection rate increases with decrease of the current sheet thickness as E{sub r}∼a{sup −1/2}, where a is the initial current sheet half-thickness.

  6. New Measure of the Dissipation Region in Collisionless Magnetic Reconnection

    NASA Technical Reports Server (NTRS)

    Zenitani, Seiji; Hesse, Michael; Klimas, Alex; Kuznetsova, Masha

    2012-01-01

    A new measure to identify a small-scale dissipation region in collisionless magnetic reconnection is proposed. The energy transfer from the electromagnetic field to plasmas in the electron s rest frame is formulated as a Lorentz-invariant scalar quantity. The measure is tested by two-dimensional particle-in-cell simulations in typical configurations: symmetric and asymmetric reconnection, with and without the guide field. The innermost region surrounding the reconnection site is accurately located in all cases. We further discuss implications for nonideal MHD dissipation.

  7. On the unconstrained expansion of a spherical plasma cloud turning collisionless: case of a cloud generated by a nanometre dust grain impact on an uncharged target in space

    NASA Astrophysics Data System (ADS)

    Pantellini, F.; Landi, S.; Zaslavsky, A.; Meyer-Vernet, N.

    2012-04-01

    Nano and micrometre sized dust particles travelling through the heliosphere at several hundreds of km s-1 have been repeatedly detected by interplanetary spacecraft. When such fast moving dust particles hit a solid target in space, an expanding plasma cloud is formed through the vaporization and ionization of the dust particles itself and part of the target material at and near the impact point. Immediately after the impact the small and dense cloud is dominated by collisions and the expansion can be described by fluid equations. However, once the cloud has reached μm dimensions, the plasma may turn collisionless and a kinetic description is required to describe the subsequent expansion. In this paper we explore the late and possibly collisionless spherically symmetric unconstrained expansion of a single ionized ion-electron plasma using N-body simulations. Given the strong uncertainties concerning the early hydrodynamic expansion, we assume that at the time of the transition to the collisionless regime the cloud density and temperature are spatially uniform. We also neglect the role of the ambient plasma. This is a reasonable assumption as long as the cloud density is substantially higher than the ambient plasma density. In the case of clouds generated by fast interplanetary dust grains hitting a solid target, some 107 electrons and ions are liberated and the in vacuum approximation is acceptable up to meter order cloud dimensions. As such a cloud can be estimated to become collisionless when its radius has reached μm order dimensions, both the collisionless approximation and the in vacuum approximation are expected to hold during a long lasting phase as the cloud grows by a factor 106. With these assumptions, we find that the transition from the collisional to the collisionless regime could occur when the electron Debye length λD within the cloud is much smaller than the cloud radius R0, i.e. Λ ≡ λD/R0 ≪ 1. This implies a quasi-neutral expansion regime

  8. Proposed approximation for contact angles in Shan-and-Chen-type multicomponent multiphase lattice Boltzmann models

    NASA Astrophysics Data System (ADS)

    Huang, Haibo; Thorne, Daniel T., Jr.; Schaap, Marcel G.; Sukop, Michael C.

    2007-12-01

    We propose a method for approximating the adhesion parameters in the Shan and Chen multicomponent, multiphase lattice Boltzmann model that leads to the desired fluid-solid contact angle. The method is a straightforward application of Young’s equation with substitution of the Shan and Chen cohesion parameter and a density factor for the fluid-fluid interfacial tension, and the adhesion parameters for the corresponding fluid-solid interfacial tensions.

  9. Second harmonic generation by self-focusing of intense hollow Gaussian laser beam in collisionless plasma

    SciTech Connect

    Purohit, Gunjan Rawat, Priyanka; Gauniyal, Rakhi

    2016-01-15

    The effect of self focused hollow Gaussian laser beam (HGLB) (carrying null intensity in center) on the excitation of electron plasma wave (EPW) and second harmonic generation (SHG) has been investigated in collisionless plasma, where relativistic-ponderomotive and only relativistic nonlinearities are operative. The relativistic change of electron mass and the modification of the background electron density due to ponderomotive nonlinearity lead to self-focusing of HGLB in plasma. Paraxial ray theory has been used to derive coupled equations for the self focusing of HGLB in plasma, generation of EPW, and second harmonic. These coupled equations are solved analytically and numerically to study the laser intensity in the plasma, electric field associated with the excited EPW, and the power of SHG. Second harmonic emission is generated due to nonlinear coupling between incident HGLB and EPW satisfying the proper phase matching conditions. The results show that the effect of including the ponderomotive nonlinearity is significant on the generation of EPW and second harmonic. The electric field associated with EPW and the power of SHG are found to be highly sensitive to the order of the hollow Gaussian beam.

  10. Theory of spatially non-symmetric kinetic equilibria for collisionless plasmas

    SciTech Connect

    Cremaschini, Claudio; Tessarotto, Massimo

    2013-01-15

    The problem posed by the possible existence/non-existence of spatially non-symmetric kinetic equilibria has remained unsolved in plasma theory. For collisionless magnetized plasmas, this involves the construction of stationary solutions of the Vlasov-Maxwell equations. In this paper, the issue is addressed for non-relativistic plasmas both in astrophysical and laboratory contexts. The treatment is based on a Lagrangian variational description of single-particle dynamics. Starting point is a non-perturbative formulation of gyrokinetic theory, which allows one to construct 'a posteriori' with prescribed order of accuracy an asymptotic representation for the magnetic moment. In terms of the relevant particle adiabatic invariants generalized bi-Maxwellian equilibria are proved to exist. These are shown to recover, under suitable assumptions, a Chapman-Enskog form which permits an analytical treatment of the corresponding fluid moments. In particular, the constrained posed by the Poisson and the Ampere equations are analyzed, both for quasi-neutral and non-neutral plasmas. The conditions of existence of the corresponding non-symmetric kinetic equilibria are investigated. As a notable feature, both astrophysical and laboratory plasmas are shown to exhibit, under suitable conditions, a kinetic dynamo, whereby the equilibrium magnetic field can be self-generated by the equilibrium plasma currents.

  11. The Energy Spectrum of Energetic Particles Downstream of Turbulent Collisionless Shocks

    NASA Astrophysics Data System (ADS)

    Giacalone, Joe; Neugebauer, Marcia

    2008-01-01

    Using simple analytic considerations, numerical simulations, and data analysis, we discuss the physics of charged-particle acceleration by turbulent, rippled, collisionless shocks. The standard theory of diffusive shock acceleration predicts that the energetic-particle energy spectrum, in the region of shocked plasma, is a function of the plasma density jump. But because of the interaction of the shock with plasma turbulence, the jump in plasma density varies in time and from place to place on the shock front. Here we show that for reasonable parameters, the shape of the energetic-particle energy spectra downstream of any given shock is nearly independent of location along the shock front, even though the density jump varies. This is because energetic particles are mobile and sample many turbulent fluctuations during their acceleration. This result holds for shocks having smaller scale ripples than the large-scale radius of curvature (Dc) of the shock. Thus, it applies to the interpretation of spacecraft observations of traveling interplanetary shocks provided the spacecraft separation is less than Dc. This result is confirmed with simple analytic considerations and numerical simulations that solve the combined magnetohydrodynamic equations for a plasma and energetic test particles using the well-known Parker transport equation. This conclusion is further supported by our analysis of ACE and Geotail observations of a few interplanetary shocks.

  12. Second harmonic generation by self-focusing of intense hollow Gaussian laser beam in collisionless plasma

    NASA Astrophysics Data System (ADS)

    Purohit, Gunjan; Rawat, Priyanka; Gauniyal, Rakhi

    2016-01-01

    The effect of self focused hollow Gaussian laser beam (HGLB) (carrying null intensity in center) on the excitation of electron plasma wave (EPW) and second harmonic generation (SHG) has been investigated in collisionless plasma, where relativistic-ponderomotive and only relativistic nonlinearities are operative. The relativistic change of electron mass and the modification of the background electron density due to ponderomotive nonlinearity lead to self-focusing of HGLB in plasma. Paraxial ray theory has been used to derive coupled equations for the self focusing of HGLB in plasma, generation of EPW, and second harmonic. These coupled equations are solved analytically and numerically to study the laser intensity in the plasma, electric field associated with the excited EPW, and the power of SHG. Second harmonic emission is generated due to nonlinear coupling between incident HGLB and EPW satisfying the proper phase matching conditions. The results show that the effect of including the ponderomotive nonlinearity is significant on the generation of EPW and second harmonic. The electric field associated with EPW and the power of SHG are found to be highly sensitive to the order of the hollow Gaussian beam.

  13. Core-Collapse Supernovae Explored by Multi-D Boltzmann Hydrodynamic Simulations

    NASA Astrophysics Data System (ADS)

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

    We report the latest results of numerical simulations of core-collapse supernovae by solving multi-D neutrino-radiation hydrodynamics with Boltzmann equations. One of the longstanding issues of the explosion mechanism of supernovae has been uncertainty in the approximations of the neutrino transfer in multi-D such as the diffusion approximation and ray-by-ray method. The neutrino transfer is essential, together with 2D/3D hydrodynamical instabilities, to evaluate the neutrino heating behind the shock wave for successful explosions and to predict the neutrino burst signals. We tackled this difficult problem by utilizing our solver of the 6D Boltzmann equation for neutrinos in 3D space and 3D neutrino momentum space coupled with multi-D hydrodynamics adding special and general relativistic extensions. We have performed a set of 2D core-collapse simulations from 11M ȯ and 15M ȯ stars on K-computer in Japan by following long-term evolution over 400 ms after bounce to reveal the outcome from the full Boltzmann hydrodynamic simulations with a sophisticated equation of state with multi-nuclear species and updated rates for electron captures on nuclei.

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

    PubMed

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

    2016-01-07

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

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

    SciTech Connect

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

    2016-01-07

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

  16. Gamma-Ray Bursts, Collisionless Shocks and Synthetic Spectra

    NASA Astrophysics Data System (ADS)

    Hededal, Christian

    2005-06-01

    The radiation from afterglows of gamma-ray bursts (GRB) is generated in collisionless plasma shocks. The two main ingredients behind the radiation are high-energy, non-thermal electrons and a strong magnetic field. I argue that in order to make the right conclusions about gamma-ray burst and afterglow parameters from observations, it is crucial to have a firm understanding of the microphysics of collisionless shock. I present the results of self-consistent, three-dimensional particle-in-cell computational simulations of the collision of weakly magnetized plasma shells: The experiments show how a plasma instability generates a magnetic field in the shock. The field has strength up to percents of the equipartition value. The experiments also reveal a new, non-thermal electron acceleration mechanism that differs substantially from Fermi acceleration. Finally, I present the results from a new numerical tool that enables us to extract synthetic radiation spectra directly from the experiments. The preliminary results differ from synchrotron radiation but are consistent with GRB afterglow observations. I conclude that strong magnetic field generation, non-thermal particle acceleration and the emission of radiation that is consistent with GRB afterglow observations, are all unavoidable consequences of the collision between two relativistic plasma shells.

  17. Collisionless shock experiments with lasers and observation of Weibel instabilities

    SciTech Connect

    Park, H.-S. Huntington, C. M.; Fiuza, F.; Levy, M. C.; Pollock, B. B.; Remington, B. A.; Ross, J. S.; Ryutov, D. D.; Turnbull, D. P.; Weber, S. V.; Drake, R. P.; Kuranz, C. C.; Froula, D. H.; Rosenberg, M.; Gregori, G.; Meinecke, J.; Koenig, M.; Kugland, N. L.; Lamb, D. Q.; Tzeferacos, P.; and others

    2015-05-15

    Astrophysical collisionless shocks are common in the universe, occurring in supernova remnants, gamma ray bursts, and protostellar jets. They appear in colliding plasma flows when the mean free path for ion-ion collisions is much larger than the system size. It is believed that such shocks could be mediated via the electromagnetic Weibel instability in astrophysical environments without pre-existing magnetic fields. Here, we present laboratory experiments using high-power lasers and investigate the dynamics of high-Mach-number collisionless shock formation in two interpenetrating plasma streams. Our recent proton-probe experiments on Omega show the characteristic filamentary structures of the Weibel instability that are electromagnetic in nature with an inferred magnetization level as high as ∼1% [C. M. Huntington et al., “Observation of magnetic field generation via the weibel instability in interpenetrating plasma flows,” Nat. Phys. 11, 173–176 (2015)]. These results imply that electromagnetic instabilities are significant in the interaction of astrophysical conditions.

  18. Laboratory astrophysical collisionless shock experiments on Omega and NIF

    NASA Astrophysics Data System (ADS)

    Park, Hye-Sook; Ross, J. S.; Huntington, C. M.; Fiuza, F.; Ryutov, D.; Casey, D.; Drake, R. P.; Fiksel, G.; Froula, D.; Gregori, G.; Kugland, N. L.; Kuranz, C.; Levy, M. C.; Li, C. K.; Meinecke, J.; Morita, T.; Petrasso, R.; Plechaty, C.; Remington, B.; Sakawa, Y.; Spitkovsky, A.; Takabe, H.; Zylstra, A. B.

    2016-03-01

    We are performing scaled astrophysics experiments on Omega and on NIF. Laser driven counter-streaming interpenetrating supersonic plasma flows can be studied to understand astrophysical electromagnetic plasma phenomena in a controlled laboratory setting. In our Omega experiments, the counter-streaming flow plasma state is measured using Thomson scattering diagnostics, demonstrating the plasma flows are indeed super-sonic and in the collisionless regime. We observe a surprising additional electron and ion heating from ion drag force in the double flow experiments that are attributed to the ion drag force and electrostatic instabilities. [1] A proton probe is used to image the electric and magnetic fields. We observe unexpected large, stable and reproducible electromagnetic field structures that arise in the counter-streaming flows [2]. The Biermann battery magnetic field generated near the target plane, advected along the flows, and recompressed near the midplane explains the cause of such self-organizing field structures [3]. A D3He implosion proton probe image showed very clear filamentary structures; three-dimensional Particle-In-Cell simulations and simulated proton radiography images indicate that these filamentary structures are generated by Weibel instabilities and that the magnetization level (ratio of magnetic energy over kinetic energy in the system) is ∼0.01 [4]. These findings have very high astrophysical relevance and significant implications. We expect to observe true collisionless shock formation when we use >100 kJ laser energy on NIF.

  19. Electron Weibel Instability Mediated Laser Driven Electromagnetic Collisionless Shock

    NASA Astrophysics Data System (ADS)

    Jia, Qing; Mima, Kunioki; Cai, Hong-Bo; Taguchi, Toshihiro; Nagatomo, Hideo; He, X. T.

    2015-11-01

    As a fundamental nonlinear structure, collisionless shock is widely studied in astrophysics. Recently, the rapidly-developing laser technology provides a good test-bed to study such shock physics in laboratory. In addition, the laser driven shock ion acceleration is also interested due to its potential applications. We explore the effect of external parallel magnetic field on the collisionless shock formation and resultant particle acceleration by using the 2D3V PIC simulations. We show that unlike the electrostatic shock generated in the unmagnetized plasma, the shock generated in the weakly-magnetized laser-driven plasma is mostly electromagnetic (EM)-like with higher Mach number. The generation mechanism is due to the stronger transverse magnetic field self-generated at the nonlinear stage of the electron Weibel instability which drastically scatters particles and leads to higher energy dissipation. Simulation results also suggest more ions are reflected by this EM shock and results in larger energy transfer rate from the laser to ions, which is of advantage for applications such as neutron production and ion fast ignition.

  20. Macroscopic model and truncation error of discrete Boltzmann method

    NASA Astrophysics Data System (ADS)

    Hwang, Yao-Hsin

    2016-10-01

    A derivation procedure to secure the macroscopically equivalent equation and its truncation error for discrete Boltzmann method is proffered in this paper. Essential presumptions of two time scales and a small parameter in the Chapman-Enskog expansion are disposed of in the present formulation. Equilibrium particle distribution function instead of its original non-equilibrium form is chosen as key variable in the derivation route. Taylor series expansion encompassing fundamental algebraic manipulations is adequate to realize the macroscopically differential counterpart. A self-contained and comprehensive practice for the linear one-dimensional convection-diffusion equation is illustrated in details. Numerical validations on the incurred truncation error in one- and two-dimensional cases with various distribution functions are conducted to verify present formulation. As shown in the computational results, excellent agreement between numerical result and theoretical prediction are found in the test problems. Straightforward extensions to more complicated systems including convection-diffusion-reaction, multi-relaxation times in collision operator as well as multi-dimensional Navier-Stokes equations are also exposed in the Appendix to point out its expediency in solving complicated flow problems.

  1. Spontaneous magnetic reconnection. Collisionless reconnection and its potential astrophysical relevance

    NASA Astrophysics Data System (ADS)

    Treumann, R. A.; Baumjohann, W.

    2015-10-01

    The present review concerns the relevance of collisionless reconnection in the astrophysical context. Emphasis is put on recent developments in theory obtained from collisionless numerical simulations in two and three dimensions. It is stressed that magnetic reconnection is a universal process of particular importance under collisionless conditions, when both collisional and anomalous dissipation are irrelevant. While collisional (resistive) reconnection is a slow, diffusive process, collisionless reconnection is spontaneous. On any astrophysical time scale, it is explosive. It sets on when electric current widths become comparable to the leptonic inertial length in the so-called lepton (electron/positron) "diffusion region", where leptons de-magnetise. Here, the magnetic field contacts its oppositely directed partner and annihilates. Spontaneous reconnection breaks the original magnetic symmetry, violently releases the stored free energy of the electric current, and causes plasma heating and particle acceleration. Ultimately, the released energy is provided by mechanical motion of either the two colliding magnetised plasmas that generate the current sheet or the internal turbulence cascading down to lepton-scale current filaments. Spontaneous reconnection in such extended current sheets that separate two colliding plasmas results in the generation of many reconnection sites (tearing modes) distributed over the current surface, each consisting of lepton exhausts and jets which are separated by plasmoids. Volume-filling factors of reconnection sites are estimated to be as large as {<}10^{-5} per current sheet. Lepton currents inside exhausts may be strong enough to excite Buneman and, for large thermal pressure anisotropy, also Weibel instabilities. They bifurcate and break off into many small-scale current filaments and magnetic flux ropes exhibiting turbulent magnetic power spectra of very flat power-law shape W_b∝ k^{-α } in wavenumber k with power becoming as

  2. On boundary conditions in lattice Boltzmann methods

    SciTech Connect

    Chen, S.; Martinez, D. |; Mei, R.

    1996-09-01

    A lattice Boltzmann boundary condition for simulation of fluid flow using simple extrapolation is proposed. Numerical simulations, including two-dimensional Poiseuille flow, unsteady Couette flow, lid-driven square cavity flow, and flow over a column of cylinders for a range of Reynolds numbers, are carried out, showing that this scheme is of second order accuracy in space discretization. Applications of the method to other boundary conditions, including pressure condition and flux condition are discussed. {copyright} {ital 1996 American Institute of Physics.}

  3. Entropic Lattice Boltzmann Models and Quantum Computation

    DTIC Science & Technology

    2008-04-01

    cellular automata, quantum cellular automata, action principles, periodic orbits, turbulence U U U UL 8 Bruce M. Boghosian (617) 627–3054 Contents 1...thereof . . 6 2.5 Lattice Boltzmann algorithm for periodic unstable orbits . . . . . . . . . . . . . . . . . . . . . 7 3 Personnel Supported 7 3.1 2005...continue to work on it in the remaining period of this grant. There are reasons for optimism in the search for quantum circuits described above. First, if

  4. 2D Semiconductor Device Simulations by WENO-Boltzmann Schemes: Efficiency, Boundary Conditions and Comparison to Monte Carlo Methods

    DTIC Science & Technology

    2006-01-01

    choice is asymptotically equivalent to have fixed V on the MESFET gate region depending on Vgate and the oxide thickness δ in such a way that ∆y = κ̃ δ...the Poisson equation modeling semiconductor devices such as the MESFET and MOSFET. We compare the simulation results with those obtained by a direct...Essentially Non-Oscillatory (WENO) schemes; Boltzmann Tran- sport Equation (BTE); semiconductor device simulation; MESFET ; MOSFET; Direct Sim

  5. Lattice Boltzmann method and channel flow

    NASA Astrophysics Data System (ADS)

    Stensholt, Sigvat; Mongstad Hope, Sigmund

    2016-07-01

    Lattice Boltzmann methods are presented at an introductory level with a focus on fairly simple simulations that can be used to test and illustrate the model’s capabilities. Two scenarios are presented. The first is a simple laminar flow in a straight channel driven by a pressure gradient (Poiseuille flow). The second is a more complex, including a wedge where Moffatt vortices may be induced if the wedge is deep enough. Simulations of the Poiseuille flow scenario accurately capture the theoretical velocity profile. The experiment shows the location of the fluid-wall boundary and the effects viscosity has on the velocity and convergence time. The numerical capabilities of the lattice Boltzmann model are tested further by simulating the more complex Moffatt vortex scenario. The method reproduces with high accuracy the theoretical predction that Moffat vortices will not form in a wedge if the vertex angle exceeds 146°. Practical issues limitations of the lattice Boltzmann method are discussed. In particular the accuracy of the bounce-back boundary condition is first order dependent on the grid resolution.

  6. Hybrid lattice Boltzmann method on overlapping grids

    NASA Astrophysics Data System (ADS)

    Di Ilio, G.; Chiappini, D.; Ubertini, S.; Bella, G.; Succi, S.

    2017-01-01

    In this work, a hybrid lattice Boltzmann method (HLBM) is proposed, where the standard lattice Boltzmann implementation based on the Bhatnagar-Gross-Krook (LBGK) approximation is combined together with an unstructured finite-volume lattice Boltzmann model. The method is constructed on an overlapping grid system, which allows the coexistence of a uniform lattice nodes spacing and a coordinate-free lattice structure. The natural adaptivity of the hybrid grid system makes the method particularly suitable to handle problems involving complex geometries. Moreover, the provided scheme ensures a high-accuracy solution near walls, given the capability of the unstructured submodel of achieving the desired level of refinement in a very flexible way. For these reasons, the HLBM represents a prospective tool for solving multiscale problems. The proposed method is here applied to the benchmark problem of a two-dimensional flow past a circular cylinder for a wide range of Reynolds numbers and its numerical performances are measured and compared with the standard LBGK ones.

  7. Boltzmann electron PIC simulation of the E-sail effect

    NASA Astrophysics Data System (ADS)

    Janhunen, P.

    2015-12-01

    The solar wind electric sail (E-sail) is a planned in-space propulsion device that uses the natural solar wind momentum flux for spacecraft propulsion with the help of long, charged, centrifugally stretched tethers. The problem of accurately predicting the E-sail thrust is still somewhat open, however, due to a possible electron population trapped by the tether. Here we develop a new type of particle-in-cell (PIC) simulation for predicting E-sail thrust. In the new simulation, electrons are modelled as a fluid, hence resembling hybrid simulation, but in contrast to normal hybrid simulation, the Poisson equation is used as in normal PIC to calculate the self-consistent electrostatic field. For electron-repulsive parts of the potential, the Boltzmann relation is used. For electron-attractive parts of the potential we employ a power law which contains a parameter that can be used to control the number of trapped electrons. We perform a set of runs varying the parameter and select the one with the smallest number of trapped electrons which still behaves in a physically meaningful way in the sense of producing not more than one solar wind ion deflection shock upstream of the tether. By this prescription we obtain thrust per tether length values that are in line with earlier estimates, although somewhat smaller. We conclude that the Boltzmann PIC simulation is a new tool for simulating the E-sail thrust. This tool enables us to calculate solutions rapidly and allows to easily study different scenarios for trapped electrons.

  8. Conductivity tensor of graphene dominated by spin-orbit coupling scatterers: A comparison between the results from Kubo and Boltzmann transport theories.

    PubMed

    Liu, Zhe; Jiang, Liwei; Zheng, Yisong

    2016-03-31

    The diagonal and Hall conductivities of graphene arising from the spin-orbit coupling impurity scattering are theoretically studied. Based on the continuous model, i.e. the massless Dirac equation, we derive analytical expressions of the conductivity tensor from both the Kubo and Boltzmann transport theories. By performing numerical calculations, we find that the Kubo quantum transport result of the diagonal conductivity within the self-consistent Born approximation exhibits an insulating gap around the Dirac point. And in this gap a well-defined quantized spin Hall plateau occurs. This indicates the realization of the quantum spin Hall state of graphene driven by the spin-orbit coupling impurities. In contrast, the semi-classical Boltzmann theory fails to predict such a topological insulating phase. The Boltzmann diagonal conductivity is nonzero even in the insulating gap, in which the Boltzmann spin Hall conductivity does not exhibit any quantized plateau.

  9. Conductivity tensor of graphene dominated by spin-orbit coupling scatterers: A comparison between the results from Kubo and Boltzmann transport theories

    PubMed Central

    Liu, Zhe; Jiang, Liwei; Zheng, Yisong

    2016-01-01

    The diagonal and Hall conductivities of graphene arising from the spin-orbit coupling impurity scattering are theoretically studied. Based on the continuous model, i.e. the massless Dirac equation, we derive analytical expressions of the conductivity tensor from both the Kubo and Boltzmann transport theories. By performing numerical calculations, we find that the Kubo quantum transport result of the diagonal conductivity within the self-consistent Born approximation exhibits an insulating gap around the Dirac point. And in this gap a well-defined quantized spin Hall plateau occurs. This indicates the realization of the quantum spin Hall state of graphene driven by the spin-orbit coupling impurities. In contrast, the semi-classical Boltzmann theory fails to predict such a topological insulating phase. The Boltzmann diagonal conductivity is nonzero even in the insulating gap, in which the Boltzmann spin Hall conductivity does not exhibit any quantized plateau. PMID:27029398

  10. An efficient annealing in Boltzmann machine in Hopfield neural network

    NASA Astrophysics Data System (ADS)

    Kin, Teoh Yeong; Hasan, Suzanawati Abu; Bulot, Norhisam; Ismail, Mohammad Hafiz

    2012-09-01

    This paper proposes and implements Boltzmann machine in Hopfield neural network doing logic programming based on the energy minimization system. The temperature scheduling in Boltzmann machine enhancing the performance of doing logic programming in Hopfield neural network. The finest temperature is determined by observing the ratio of global solution and final hamming distance using computer simulations. The study shows that Boltzmann Machine model is more stable and competent in term of representing and solving difficult combinatory problems.

  11. A four-field model for collisionless reconnection: Hamiltonian structure and numerical simulations

    NASA Astrophysics Data System (ADS)

    Tassi, Emanuele; Grasso, Daniela; Pegoraro, Francesco

    2008-11-01

    A 4-field model for magnetic reconnection in collisionless plasmas is investigated both analytically and numerically. The model equations are shown to admit a non-canonical Hamiltonian formulation with four infinite families of Casimir invariants [1]. Numerical simulations show that, consistently with previously investigated models [2,3], in the absence of significant fluctuations along the toroidal direction, reconnection can lead to a macroscopic saturated state exhibiting filamentation on microsocopic scales, or to a secondary Kelvin-Helmholtz-like instability, depending on the value of a parameter measuring the compressibility of the electron fluid. The novel feature exhibited by the four-field model is the coexistence of significant filamentation with a secondary instability when magnetic and velocity perturbations along the toroidal direction are no longer negligible. An interpretation of this phenomenon in terms of Casimir invariants is given.[0pt] [1] E. Tassi et al., Plasma Phys. Contr. Fus., 50, 085014 (2008)[0pt] [2] D. Grasso et al., Phys. Rev. Lett. 86, 5051 (2001)[0pt] [3] D. Del Sarto, F. Califano and F. Pegoraro, Phys. Plasmas 12, 012317 (2005)

  12. Structures of diffusion regions in collisionless magnetic reconnection

    SciTech Connect

    Umeda, Takayuki; Togano, Kentaro; Ogino, Tatsuki

    2010-05-15

    Detailed structures of diffusion regions in two-dimensional collisionless magnetic reconnection are studied by using an electromagnetic Vlasov simulation. It has been well known that plasma number density decreases near the X-point of the reconnection. However, numerical thermal fluctuations exist in particle-in-cell simulations, and there is a possibility that detailed structures near the X-point diffuse numerically when the number of particles per cell is not enough. In the present study, a high-resolution two-dimensional Vlasov simulation is performed. It is found that electron number density in the electron diffusion region decreases to a hundredth of the initial value. Structures of electron diffusion region are determined by the local electron inertial length.

  13. Scaling of Magnetic Reconnection in Relativistic Collisionless Pair Plasmas

    NASA Technical Reports Server (NTRS)

    Liu, Yi-Hsin; Guo, Fan; Daughton, William; Li, Hui; Hesse, Michael

    2015-01-01

    Using fully kinetic simulations, we study the scaling of the inflow speed of collisionless magnetic reconnection in electron-positron plasmas from the non-relativistic to ultra-relativistic limit. In the anti-parallel configuration, the inflow speed increases with the upstream magnetization parameter sigma and approaches the speed of light when sigma is greater than O(100), leading to an enhanced reconnection rate. In all regimes, the divergence of the pressure tensor is the dominant term responsible for breaking the frozen-in condition at the x-line. The observed scaling agrees well with a simple model that accounts for the Lorentz contraction of the plasma passing through the diffusion region. The results demonstrate that the aspect ratio of the diffusion region, modified by the compression factor of proper density, remains approximately 0.1 in both the non-relativistic and relativistic limits.

  14. Perpendicular diffusion of energetic particles in collisionless plasmas

    SciTech Connect

    Shalchi, A.

    2015-01-15

    A fundamental problem in plasma and astrophysics is the interaction between energetic particles and magnetized plasmas. In the current paper, we focus on particle diffusion across the guide magnetic field. It is shown that the perpendicular diffusion coefficient depends only on the parallel diffusion coefficient and the Kubo number. Therefore, one can find four asymptotic limits depending on the values of these two parameters. These regimes are the quasilinear limit, the Kadomtsev and Pogutse limit, the scaling of Rechester and Rosenbluth, and the scaling found by Zybin and Istomin. In the current article, we focus on the Rechester and Rosenbluth scenario because this was not discovered before in the context of collisionless plasmas. Examples and applications are discussed as well. We show that an energy independent ratio of perpendicular and parallel diffusion coefficients can be found and that this ratio can be very small but also close to unity. This is exactly what one observes in the solar wind.

  15. Effects of electron inertia in collisionless magnetic reconnection

    SciTech Connect

    Andrés, Nahuel Gómez, Daniel; Martin, Luis; Dmitruk, Pablo

    2014-07-15

    We present a study of collisionless magnetic reconnection within the framework of full two-fluid MHD for a completely ionized hydrogen plasma, retaining the effects of the Hall current, electron pressure and electron inertia. We performed 2.5D simulations using a pseudo-spectral code with no dissipative effects. We check that the ideal invariants of the problem are conserved down to round-off errors. Our numerical results confirm that the change in the topology of the magnetic field lines is exclusively due to the presence of electron inertia. The computed reconnection rates remain a fair fraction of the Alfvén velocity, which therefore qualifies as fast reconnection.

  16. Three-dimensional outflow jets generated in collisionless magnetic reconnection

    NASA Astrophysics Data System (ADS)

    Fujimoto, Keizo

    2016-10-01

    The present study proposes a new theoretical model generating three-dimensional (3-D) outflow jets in collisionless magnetic reconnection by means of a large-scale particle-in-cell simulation. The key mechanism is the formation of 3-D flux ropes arising in the turbulent electron current layer formed around the magnetic x line. The scale of the flux ropes along the current density is determined by the wavelength of an electron flow shear mode which is a macroscopic scale larger than the typical kinetic scales. The 3-D flux ropes are intermittently ejected from the current layer and regulates the outflow jets into three dimensions. The gross reconnection rate is sufficiently large, since reconnection takes place almost uniformly along the x line.

  17. Ion reflection and dissipation at quasi-parallel collisionless shocks

    NASA Astrophysics Data System (ADS)

    Scholer, Manfred; Terasawa, Toshio

    1990-02-01

    Large scale one-dimensional hybrid simulations have been performed of a quasi-parallel high Mach number collisionless shock. It is found that backstreaming reflected ions, i.e., upstream ions with velocities exceeding the shock ram velocity, originate from the outer part of the velocity space of the incident distribution. The backstreaming ions produce very low-frequency magnetosonic waves which propagate upstream with about 1.3 Alfven speed. As the wave crests convect toward the shock, they steepen up the shock reforms itself. During shock reformation a large part of the incident ions are reflected. This, in turn, slows the incident ions down. The slowed down incident particle distribution and the reflected particle distribution merge and constitute the new thermalized downstream distribution. In the interval of a relatively stationary shock low-frequency whistler waves stand at the shock front. During these time intervals, the whistler waves are probably responsible for dissipation by nonadiabatic compression of the incident ions.

  18. How to Patch Active Plasma and Collisionless Sheath: Pragmatical Guide

    NASA Astrophysics Data System (ADS)

    Kaganovich, Igor D.

    2002-10-01

    Most plasmas have very thin sheath compared with plasma dimension. This necessitates separate calculation of plasma and sheath. Bohm criterion provides boundary condition for calculation of plasma profiles. To calculate sheath properties a value of electric field at the plasma-sheath interface has to be specified in addition to Bohm criterion. The value of the boundary electric field and robust procedure to approximately patch plasma and collisionless sheath with a very good accuracy is reported. Additional information on the subject is posted on the web http://www.pppl.gov/pub/report/2002/ http://arxiv.org/abs/physics/0208041. Work supported by the Department of Energy via the University Research Support Program of Princeton Plasma Physics Laboratory.

  19. ENTROPY PRODUCTION IN COLLISIONLESS SYSTEMS. III. RESULTS FROM SIMULATIONS

    SciTech Connect

    Barnes, Eric I.; Egerer, Colin P. E-mail: egerer.coli@uwlax.edu

    2015-05-20

    The equilibria formed by the self-gravitating, collisionless collapse of simple initial conditions have been investigated for decades. We present the results of our attempts to describe the equilibria formed in N-body simulations using thermodynamically motivated models. Previous work has suggested that it is possible to define distribution functions for such systems that describe maximum entropy states. These distribution functions are used to create radial density and velocity distributions for comparison to those from simulations. A wide variety of N-body code conditions are used to reduce the chance that results are biased by numerical issues. We find that a subset of initial conditions studied lead to equilibria that can be accurately described by these models, and that direct calculation of the entropy shows maximum values being achieved.

  20. Collisionless Plasma Modeling in an Arbitrary Potential Energy Distribution

    NASA Technical Reports Server (NTRS)

    Liemohn, M. W.; Khazanov, G. V.

    1997-01-01

    A new technique for calculating a collisionless plasma along a field line is presented. The primary feature of the new model is that it can handle an arbitrary (including nonmonotonic) potential energy distribution. This was one of the limiting constraints on the existing models in this class, and these constraints are generalized for an arbitrary potential energy composition. The formulation for relating current density to the field-aligned potential as well as formulas for density, temperature and energy flux calculations are presented for several distribution functions, ranging from a bi-Lorentzian with a loss cone to an isotropic Maxwellian. A comparison of these results with previous models shows that the formulation reduces.to the earlier models under similar assumptions.

  1. Kinetic dissipation and anisotropic heating in a turbulent collisionless plasma

    SciTech Connect

    Parashar, T. N.; Shay, M. A.; Cassak, P. A.; Matthaeus, W. H.

    2009-03-15

    The kinetic evolution of the Orszag-Tang vortex is studied using collisionless hybrid simulations. In magnetohydrodynamics (MHD) this configuration leads rapidly to broadband turbulence. At large length scales, the evolution of the hybrid simulations is very similar to MHD, with magnetic power spectra displaying scaling similar to a Kolmogorov scaling of -5/3. At small scales, differences from MHD arise, as energy dissipates into heat almost exclusively through the magnetic field. The magnetic energy spectrum of the hybrid simulation shows a break where linear theory predicts that the Hall term in Ohm's law becomes significant, leading to dispersive kinetic Alfven waves. A key result is that protons are heated preferentially in the plane perpendicular to the mean magnetic field, creating a proton temperature anisotropy of the type observed in the corona and solar wind.

  2. Hydromagnetic waves, turbulence, and collisionless processes in the interplanetary medium

    NASA Technical Reports Server (NTRS)

    Barnes, A.

    1983-01-01

    An extended discussion is conducted concerning the origin and evolution of interplanetary hydromagnetic waves and turbulence, and their influence on the large scale dynamics of the solar wind. The solar wind is at present the preeminent medium for the study of hydromagnetic waves and turbulence, providing an opportunity for advancement of understanding of the most fundamental processes of the astrophysical plasmas. All interplanetary fluctuations whose time scale is observed to be greater than 1 sec can be regarded as hydromagnetic fluctuations. It has been found to be simplest, and generally very satisfactory, to model interplanetary variations as fluctuations in an MHD fluid. Attention is given to the classification of wave modes, geometrical hydromagnetics, Alfven wave pressure, rugged invariants, and the kinetic theory of collisionless processes.

  3. Collisionless microtearing modes in hot tokamaks: Effect of trapped electrons

    SciTech Connect

    Swamy, Aditya K.; Ganesh, R.; Brunner, S.; Vaclavik, J.; Villard, L.

    2015-07-15

    Collisionless microtearing modes have recently been found linearly unstable in sharp temperature gradient regions of large aspect ratio tokamaks. The magnetic drift resonance of passing electrons has been found to be sufficient to destabilise these modes above a threshold plasma β. A global gyrokinetic study, including both passing electrons as well as trapped electrons, shows that the non-adiabatic contribution of the trapped electrons provides a resonant destabilization, especially at large toroidal mode numbers, for a given aspect ratio. The global 2D mode structures show important changes to the destabilising electrostatic potential. The β threshold for the onset of the instability is found to be generally downshifted by the inclusion of trapped electrons. A scan in the aspect ratio of the tokamak configuration, from medium to large but finite values, clearly indicates a significant destabilizing contribution from trapped electrons at small aspect ratio, with a diminishing role at larger aspect ratios.

  4. Effects of electron inertia in collisionless magnetic reconnection

    NASA Astrophysics Data System (ADS)

    Andrés, Nahuel; Martin, Luis; Dmitruk, Pablo; Gómez, Daniel

    2014-07-01

    We present a study of collisionless magnetic reconnection within the framework of full two-fluid MHD for a completely ionized hydrogen plasma, retaining the effects of the Hall current, electron pressure and electron inertia. We performed 2.5D simulations using a pseudo-spectral code with no dissipative effects. We check that the ideal invariants of the problem are conserved down to round-off errors. Our numerical results confirm that the change in the topology of the magnetic field lines is exclusively due to the presence of electron inertia. The computed reconnection rates remain a fair fraction of the Alfvén velocity, which therefore qualifies as fast reconnection.

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

    PubMed

    Felberg, Lisa E; Brookes, David H; Yap, Eng-Hui; Jurrus, Elizabeth; Baker, Nathan A; Head-Gordon, Teresa

    2016-11-02

    We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized PB equation, for molecules represented as non-overlapping spherical cavities. The PB-AM software package includes the generation of outputs files appropriate for visualization using visual molecular dynamics, a Brownian dynamics scheme that uses periodic boundary conditions to simulate dynamics, the ability to specify docking criteria, and offers two different kinetics schemes to evaluate biomolecular association rate constants. Given that PB-AM defines mutual polarization completely and accurately, it can be refactored as a many-body expansion to explore 2- and 3-body polarization. Additionally, the software has been integrated into the Adaptive Poisson-Boltzmann Solver (APBS) software package to make it more accessible to a larger group of scientists, educators, and students that are more familiar with the APBS framework. © 2016 Wiley Periodicals, Inc.

  6. Lattice boltzmann study on the contact angle and contact line dynamics of liquid-vapor interfaces.

    PubMed

    Zhang, Junfeng; Kwok, Daniel Y

    2004-09-14

    The moving contact line problem of liquid-vapor interfaces was studied using a mean-field free-energy lattice Boltzmann method recently proposed [Phys. Rev. E 2004, 69, 032602]. We have examined the static and dynamic interfacial behaviors by means of the bubble and capillary wave tests and found that both the Laplace equation of capillarity and the dispersion relation were satisfied. Dynamic contact angles followed the general trend of contact line velocity observed experimentally and can be described by Blake's theory. The velocity fields near the interface were also obtained and are in good agreement with fluid mechanics and molecular dynamics studies. Our simulations demonstrated that incorporating interfacial effects into the lattice Boltzmann model can be a valuable and powerful alternative in interfacial studies.

  7. Quantitative analysis of the correlations in the Boltzmann-Grad limit for hard spheres

    SciTech Connect

    Pulvirenti, M.

    2014-12-09

    In this contribution I consider the problem of the validity of the Boltzmann equation for a system of hard spheres in the Boltzmann-Grad limit. I briefly review the results available nowadays with a particular emphasis on the celebrated Lanford’s validity theorem. Finally I present some recent results, obtained in collaboration with S. Simonella, concerning a quantitative analysis of the propagation of chaos. More precisely we introduce a quantity (the correlation error) measuring how close a j-particle rescaled correlation function at time t (sufficiently small) is far from the full statistical independence. Roughly speaking, a correlation error of order k, measures (in the context of the BBKGY hierarchy) the event in which k tagged particles form a recolliding group.

  8. Interpolation methods and the accuracy of lattice-Boltzmann mesh refinement

    DOE PAGES

    Guzik, Stephen M.; Weisgraber, Todd H.; Colella, Phillip; ...

    2013-12-10

    A lattice-Boltzmann model to solve the equivalent of the Navier-Stokes equations on adap- tively refined grids is presented. A method for transferring information across interfaces between different grid resolutions was developed following established techniques for finite- volume representations. This new approach relies on a space-time interpolation and solving constrained least-squares problems to ensure conservation. The effectiveness of this method at maintaining the second order accuracy of lattice-Boltzmann is demonstrated through a series of benchmark simulations and detailed mesh refinement studies. These results exhibit smaller solution errors and improved convergence when compared with similar approaches relying only on spatial interpolation. Examplesmore » highlighting the mesh adaptivity of this method are also provided.« less

  9. Interpolation methods and the accuracy of lattice-Boltzmann mesh refinement

    SciTech Connect

    Guzik, Stephen M.; Weisgraber, Todd H.; Colella, Phillip; Alder, Berni J.

    2013-12-10

    A lattice-Boltzmann model to solve the equivalent of the Navier-Stokes equations on adap- tively refined grids is presented. A method for transferring information across interfaces between different grid resolutions was developed following established techniques for finite- volume representations. This new approach relies on a space-time interpolation and solving constrained least-squares problems to ensure conservation. The effectiveness of this method at maintaining the second order accuracy of lattice-Boltzmann is demonstrated through a series of benchmark simulations and detailed mesh refinement studies. These results exhibit smaller solution errors and improved convergence when compared with similar approaches relying only on spatial interpolation. Examples highlighting the mesh adaptivity of this method are also provided.

  10. Experimental characterization of a transition from collisionless to collisional interaction between head-on-merging supersonic plasma jets

    SciTech Connect

    Moser, Auna L. Hsu, Scott C.

    2015-05-15

    We present results from experiments on the head-on merging of two supersonic plasma jets in an initially collisionless regime for the counter-streaming ions. The plasma jets are of either an argon/impurity or hydrogen/impurity mixture and are produced by pulsed-power-driven railguns. Based on time- and space-resolved fast-imaging, multi-chord interferometry, and survey-spectroscopy measurements of the overlapping region between the merging jets, we observe that the jets initially interpenetrate, consistent with calculated inter-jet ion collision lengths, which are long. As the jets interpenetrate, a rising mean-charge state causes a rapid decrease in the inter-jet ion collision length. Finally, the interaction becomes collisional and the jets stagnate, eventually producing structures consistent with collisional shocks. These experimental observations can aid in the validation of plasma collisionality and ionization models for plasmas with complex equations of state.

  11. Collisionless damping of dust-acoustic waves in a charge varying electronegative dusty plasma with nonthermal ions

    NASA Astrophysics Data System (ADS)

    Benzekka, Moufida; Tribeche, Mouloud

    2016-07-01

    The aim of the present communication is to investigate the charge variation induced nonlinear dust acoustic wave damping in a charge varying electronegative dusty plasma with nonthermal ions. It is shown that the collisionless damping due to dust charge fluctuation causes the nonlinear dust acoustic wave propagation to be described by a damped Korteweg-de Vries equation (dK-dV). The latter is significantly modified by the nonthermal negative ions effects. It may be useful to note that we consider nonthermal negative ions because of the role of their distribution into the formation and dynamics of nonlinear dust acoustic structures. Moreover, the observation of nonthermal ion distributions made by Phobos and Nozomi motivated us to consider non- Maxwellian ions.

  12. Effects of Electron Drifts on the Collisionless Damping of Kinetic Alfvén Waves in the Solar Wind

    NASA Astrophysics Data System (ADS)

    Tong, Yuguang; Bale, Stuart D.; Chen, Christopher H. K.; Salem, Chadi S.; Verscharen, Daniel

    2015-05-01

    The collisionless dissipation of anisotropic Alfvénic turbulence is a promising candidate to solve the solar wind heating problem. Extensive studies examined the kinetic properties of Alfvén waves in simple Maxwellian or bi-Maxwellian plasmas. However, the observed electron velocity distribution functions in the solar wind are more complex. In this study, we analyze the properties of kinetic Alfvén waves (KAWs) in a plasma with two drifting electron populations. We numerically solve the linearized Maxwell-Vlasov equations and find that the damping rate and the proton-electron energy partition for KAWs are significantly modified in such plasmas, compared to plasmas without electron drifts. We suggest that electron drift is an important factor to take into account when considering the dissipation of Alfvénic turbulence in the solar wind or other β ˜ 1 astrophysical plasmas.

  13. Lattice Boltzmann simulation of rarefied gas flows in microchannels

    NASA Astrophysics Data System (ADS)

    Zhang, Yonghao; Qin, Rongshan; Emerson, David R.

    2005-04-01

    For gas flows in microchannels, slip motion at the solid surface can occur even if the Mach number is negligibly small. Since the Knudsen number of the gas flow in a long microchannel can vary widely and the Navier-Stokes equations are not valid for Knudsen numbers beyond 0.1, an alternative method that can be applicable to continuum, slip and transition flow regimes is highly desirable. The lattice Boltzmann equation (LBE) approach has recently been expected to have such potential. However, some hurdles need to be overcome before it can be applied to simulate rarefied gas flows. The first major hurdle is to accurately model the gas molecule and wall surface interactions. In addition, the Knudsen number needs to be clearly defined in terms of LBE properties to ensure that the LBE simulation results can be checked against experimental measurements and other simulation results. In this paper, the Maxwellian scattering kernel is adopted to address the gas molecule and surface interactions with an accommodation coefficient (in addition to the Knudsen number) controlling the amount of slip motion. The Knudsen number is derived consistently with the macroscopic property based definition. The simulation results of the present LBE model are in quantitative agreement with the established theory in the slip flow regime. In the transition flow regime, the model captures the Knudsen minimum phenomenon qualitatively. Therefore, the LBE can be a competitive method for simulation of rarefied gas flows in microdevices.

  14. Collisionless Reconnection with Weak Slow Shocks Under Anisotropic MHD Approximation

    NASA Astrophysics Data System (ADS)

    Hirabayashi, K.; Hoshino, M.

    2014-12-01

    Magnetic reconnection accompanied by a pair of slow-mode shock waves, known as Petschek's theory, has been widely studied as an efficient mechanism to convert magnetically stored energy to thermal and/or kinetic energy in plasmas. Satellite observations in the Earth's magnetotail, on the other hand, report that the detection of slow shocks is rare compared with the theory. As an important step to bridge the gap between the observational fact and the Petschek-type reconnection, we performed one- and two- dimensional collisionless magnetohydrodynamic (MHD) simulations of magnetic reconnection paying special attention to the effect of temperature anisotropy. In high-beta plasmas such as a plasma sheet in the magnetotail, it is expected that even weak temperature anisotropy can greatly modify the dynamics. We demonstrate that the slow shocks do exist in the reconnection layer even under the anisotropic temperature. The resultant shocks, however, are weaker than those in isotropic MHD in terms of plasma compression. In addition, the amount of magnetic energy released across the shock is extremely small, that is, the shock is no longer switch-off type. In spite of the weakness of the shocks, the reconnection rates measured by the inflow velocities are kept at the same level as the isotropic cases. Once the slow shock forms, the downstream plasma is heated in highly anisotropic manner, and the firehose-sense anisotropy affects the wave structure in the system. In particular, it is remarkable that the sequential order of propagation of slow shocks and rotational discontinuities reverses depending upon the magnitude of a superposed guide field. Our result is consistent with the rareness of the slow shock detection in the magnetotail, and implies that shocks do not necessarily play an important role. Furthermore, a variety of wave structure of a reconnection layer shown here will help interpretation of observational data in collisionless reconnection.

  15. Theory of the large-amplitude plane magnetoacoustic wave propagating transverse to the magnetic field in a hot collisionless plasma. [in astrophysical environments

    NASA Technical Reports Server (NTRS)

    Barnes, A.

    1979-01-01

    An exact solution of the kinetic and electromagnetic equations for a large-amplitude plane magnetoacoustic wave propagating transverse to the magnetic field in a hot collisionless plasma is presented. The solution gives simple relations among the magnetic-field strength, density, stress tensor, and plasma velocity, all of which are measurable in the interplanetary plasma. These relations are independent of the electron and ion velocity distributions, subject to certain restrictions on 'high-velocity tails.' The magnetic field of the wave is linearly polarized. The wave steepens to form a shock much as the analogous waves of MHD theory do.

  16. A review of pressure anisotropy caused by electron trapping in collisionless plasma, and its implications for magnetic reconnection

    NASA Astrophysics Data System (ADS)

    Egedal, Jan; Le, Ari; Daughton, William

    2013-06-01

    From spacecraft data, it is evident that electron pressure anisotropy develops in collisionless plasmas. This is in contrast to the results of theoretical investigations, which suggest this anisotropy should be limited. Common for such theoretical studies is that the effects of electron trapping are not included; simply speaking, electron trapping is a non-linear effect and is, therefore, eliminated when utilizing the standard methods for linearizing the underlying kinetic equations. Here, we review our recent work on the anisotropy that develops when retaining the effects of electron trapping. A general analytic model is derived for the electron guiding center distribution f¯(v∥,v⊥) of an expanding flux tube. The model is consistent with anisotropic distributions observed by spacecraft, and is applied as a fluid closure yielding anisotropic equations of state for the parallel and perpendicular components (relative to the local magnetic field direction) of the electron pressure. In the context of reconnection, the new closure accounts for the strong pressure anisotropy that develops in the reconnection regions. It is shown that for generic reconnection in a collisionless plasma nearly all thermal electrons are trapped, and dominate the properties of the electron fluid. A new numerical code is developed implementing the anisotropic closure within the standard two-fluid framework. The code accurately reproduces the detailed structure of the reconnection region observed in fully kinetic simulations. These results emphasize the important role of pressure anisotropy for the reconnection process. In particular, for reconnection geometries characterized by small values of the normalized upstream electron pressure, βe∞, the pressure anisotropy becomes large with p∥≫p⊥ and strong parallel electric fields develop in conjunction with this anisotropy. The parallel electric fields can be sustained over large spatial scales and, therefore, become important for

  17. A review of pressure anisotropy caused by electron trapping in collisionless plasma, and its implications for magnetic reconnection

    SciTech Connect

    Egedal, Jan; Le, Ari; Daughton, William

    2013-06-15

    From spacecraft data, it is evident that electron pressure anisotropy develops in collisionless plasmas. This is in contrast to the results of theoretical investigations, which suggest this anisotropy should be limited. Common for such theoretical studies is that the effects of electron trapping are not included; simply speaking, electron trapping is a non-linear effect and is, therefore, eliminated when utilizing the standard methods for linearizing the underlying kinetic equations. Here, we review our recent work on the anisotropy that develops when retaining the effects of electron trapping. A general analytic model is derived for the electron guiding center distribution f(v{sub ∥},v{sub ⊥}) of an expanding flux tube. The model is consistent with anisotropic distributions observed by spacecraft, and is applied as a fluid closure yielding anisotropic equations of state for the parallel and perpendicular components (relative to the local magnetic field direction) of the electron pressure. In the context of reconnection, the new closure accounts for the strong pressure anisotropy that develops in the reconnection regions. It is shown that for generic reconnection in a collisionless plasma nearly all thermal electrons are trapped, and dominate the properties of the electron fluid. A new numerical code is developed implementing the anisotropic closure within the standard two-fluid framework. The code accurately reproduces the detailed structure of the reconnection region observed in fully kinetic simulations. These results emphasize the important role of pressure anisotropy for the reconnection process. In particular, for reconnection geometries characterized by small values of the normalized upstream electron pressure, β{sub e∞}, the pressure anisotropy becomes large with p{sub ∥}≫p{sub ⊥} and strong parallel electric fields develop in conjunction with this anisotropy. The parallel electric fields can be sustained over large spatial scales and

  18. Does the Rate of Collisionless Magnetic Reconnection Depend on the Dissipation Mechanism?

    NASA Technical Reports Server (NTRS)

    Aunai, Nicolas; Hesse, Michael; Black, Carrie; Evans, Rebekah; Kuznetsova, Maria

    2012-01-01

    The importance of the electron dissipation effect on the reconnection rate is investigated in the general case of asymmetric collisionless magnetic reconnection. Contrary to the standard collisionless reconnection model, it is found that the reconnection rate, and the macroscopic evolution of the reconnecting system, crucially depend on the nature of the dissipation mechanism and that the Hall effect alone is not able to sustain fast reconnection.

  19. Does the Rate of Collisionless Reconnection Depend on the Dissipation Mechanism?

    NASA Technical Reports Server (NTRS)

    Aunai, Nicolas; Hesse, Michael; Black, Carrie; Evans, Rebekah; Kuznetsova, maria

    2012-01-01

    The importance of the electron dissipation effect on the reconnection rate is investigated in the general case of asymmetric collisionless magnetic reconnection. Contrary to the standard collisionless reconnection model, it is found that the reconnection rate, and them acroscopic evolution of the reconnecting system, crucially depend on the nature of the dissipation mechanism and that the Hall effect alone is not able to sustain fast reconnection.

  20. Privacy-preserving restricted boltzmann machine.

    PubMed

    Li, Yu; Zhang, Yuan; Ji, Yue

    2014-01-01

    With the arrival of the big data era, it is predicted that distributed data mining will lead to an information technology revolution. To motivate different institutes to collaborate with each other, the crucial issue is to eliminate their concerns regarding data privacy. In this paper, we propose a privacy-preserving method for training a restricted boltzmann machine (RBM). The RBM can be got without revealing their private data to each other when using our privacy-preserving method. We provide a correctness and efficiency analysis of our algorithms. The comparative experiment shows that the accuracy is very close to the original RBM model.

  1. Lattice-Boltzmann-based Simulations of Diffusiophoresis

    NASA Astrophysics Data System (ADS)

    Castigliego, Joshua; Kreft Pearce, Jennifer

    We present results from a lattice-Boltzmann-base Brownian Dynamics simulation on diffusiophoresis and the separation of particles within the system. A gradient in viscosity that simulates a concentration gradient in a dissolved polymer allows us to separate various types of particles by their deformability. As seen in previous experiments, simulated particles that have a higher deformability react differently to the polymer matrix than those with a lower deformability. Therefore, the particles can be separated from each other. This simulation, in particular, was intended to model an oceanic system where the particles of interest were zooplankton, phytoplankton and microplastics. The separation of plankton from the microplastics was achieved.

  2. Lattice Boltzmann methods for moving boundary flows

    NASA Astrophysics Data System (ADS)

    Inamuro, Takaji

    2012-04-01

    The lattice Boltzmann methods (LBMs) for moving boundary flows are presented. The LBM for two-phase fluid flows with the same density and the LBM combined with the immersed boundary method are described. In addition, the LBM on a moving multi-block grid is explained. Three numerical examples (a droplet moving in a constricted tube, the lift generation of a flapping wing and the sedimentation of an elliptical cylinder) are shown in order to demonstrate the applicability of the LBMs to moving boundary problems.

  3. Lattice Boltzmann approach to thermal transpiration

    SciTech Connect

    Sofonea, Victor

    2006-11-15

    Diffuse reflection boundary conditions are introduced in a thermal lattice Boltzmann model to allow for variable fluid density and temperature along the walls. The capability of this model to capture the main characteristics of the thermal transpiration phenomenon in a box at nonvanishing Knudsen numbers is demonstrated. The thermal creep velocity is found to be proportional to the temperature gradient imposed at the wall, whereas the accuracy of the simulation results are found to be of first or second order, depending on the numerical scheme.

  4. General-relativistic approach to the nonlinear evolution of collisionless matter

    SciTech Connect

    Matarrese, S.; Pantano, O. ); Saez, D. )

    1993-02-15

    A new general-relativistic algorithm is developed to study the nonlinear evolution of scalar (density) perturbations of an irrotational collisionless fluid up to shell crossing, under the approximation of neglecting the interaction with tensor (gravitational-wave) perturbations. The dynamics of each fluid element is separately followed in its own inertial rest frame by a system of twelve coupled first-order ordinary differential equations, which can be further reduced to six under very general conditions. Initial conditions are obtained in a cosmological framework, from linear theory, in terms of a single gauge-invariant potential. Physical observables, which are expressed in the Lagrangian form at different times, can be traced back to the Eulerian picture by solving supplementary first-order differential equations for the relative position vectors of neighboring fluid elements. Similarly to the Zel'dovich approximation, in our approach the evolution of each fluid element is completely determined by the local initial conditions and can be independently followed up to the time when it enters a multistream region. Unlike the Zel'dovich approximation, however, our approach is correct also in three dimensions (except for the possible role of gravitational waves). The accuracy of our numerical procedure is tested by integrating the nonlinear evolution of a spherical perturbation in an otherwise spatially flat Friedmann-Robertson-Walker universe and comparing the results with the exact Tolman-Bondi solution for the same initial profile. An exact solution for the planar symmetric case is also given, which turns out to be locally identical to the Zel'dovich solution.

  5. Lattice Boltzmann simulations of multiple-droplet interaction dynamics

    NASA Astrophysics Data System (ADS)

    Zhou, Wenchao; Loney, Drew; Fedorov, Andrei G.; Degertekin, F. Levent; Rosen, David W.

    2014-03-01

    A lattice Boltzmann (LB) formulation, which is consistent with the phase-field model for two-phase incompressible fluid, is proposed to model the interface dynamics of droplet impingement. The interparticle force is derived by comparing the macroscopic transport equations recovered from LB equations with the governing equations of the continuous phase-field model. The inconsistency between the existing LB implementations and the phase-field model in calculating the relaxation time at the phase interface is identified and an approximation is proposed to ensure the consistency with the phase-field model. It is also shown that the commonly used equilibrium velocity boundary for the binary fluid LB scheme does not conserve momentum at the wall boundary and a modified scheme is developed to ensure the momentum conservation at the boundary. In addition, a geometric formulation of the wetting boundary condition is proposed to replace the popular surface energy formulation and results show that the geometric approach enforces the prescribed contact angle better than the surface energy formulation in both static and dynamic wetting. The proposed LB formulation is applied to simulating droplet impingement dynamics in three dimensions and results are compared to those obtained with the continuous phase-field model, the LB simulations reported in the literature, and experimental data from the literature. The results show that the proposed LB simulation approach yields not only a significant speed improvement over the phase-field model in simulating droplet impingement dynamics on a submillimeter length scale, but also better accuracy than both the phase-field model and the previously reported LB techniques when compared to experimental data. Upon validation, the proposed LB modeling methodology is applied to the study of multiple-droplet impingement and interactions in three dimensions, which demonstrates its powerful capability of simulating extremely complex interface

  6. Convolution Inequalities for the Boltzmann Collision Operator

    NASA Astrophysics Data System (ADS)

    Alonso, Ricardo J.; Carneiro, Emanuel; Gamba, Irene M.

    2010-09-01

    We study integrability properties of a general version of the Boltzmann collision operator for hard and soft potentials in n-dimensions. A reformulation of the collisional integrals allows us to write the weak form of the collision operator as a weighted convolution, where the weight is given by an operator invariant under rotations. Using a symmetrization technique in L p we prove a Young’s inequality for hard potentials, which is sharp for Maxwell molecules in the L 2 case. Further, we find a new Hardy-Littlewood-Sobolev type of inequality for Boltzmann collision integrals with soft potentials. The same method extends to radially symmetric, non-increasing potentials that lie in some {Ls_{weak}} or L s . The method we use resembles a Brascamp, Lieb and Luttinger approach for multilinear weighted convolution inequalities and follows a weak formulation setting. Consequently, it is closely connected to the classical analysis of Young and Hardy-Littlewood-Sobolev inequalities. In all cases, the inequality constants are explicitly given by formulas depending on integrability conditions of the angular cross section (in the spirit of Grad cut-off). As an additional application of the technique we also obtain estimates with exponential weights for hard potentials in both conservative and dissipative interactions.

  7. Entropic Lattice Boltzmann Methods for Fluid Mechanics

    NASA Astrophysics Data System (ADS)

    Chikatamarla, Shyam; Boesch, Fabian; Sichau, David; Karlin, Ilya

    2013-11-01

    With its roots in statistical mechanics and kinetic theory, the lattice Boltzmann method (LBM) is a paradigm-changing innovation, offering for the first time an intrinsically parallel CFD algorithm. Over the past two decades, LBM has achieved numerous results in the field of CFD and is now in a position to challenge state-of-the art CFD techniques. Our major restyling of LBM resulted in an unconditionally stable entropic LBM which restored Second Law (Boltzmann H theorem) in the LBM kinetics and thus enabled affordable direct simulations of fluid turbulence. We review here recent advances in ELBM as a practical, modeling-free tool for simulation of turbulent flows in complex geometries. We shall present recent simulations including turbulent channel flow, flow past a circular cylinder, knotted vortex tubes, and flow past a surface mounted cube. ELBM listed all admissible lattices supporting a discrete entropy function and has classified them in hierarchically increasing order of accuracy. Applications of these higher-order lattices to simulations of turbulence and thermal flows shall also be presented. This work was supported CSCS grant s437.

  8. Lattice Boltzmann Simulations of a Falling Droplet on a Rest Fluid Film

    NASA Astrophysics Data System (ADS)

    Qian, Yuehong; Zhang, Ke; Chu, Xuesheng; Yan, Kai

    2009-11-01

    A single-phase model based on lattice Boltzmann [1,2] method is used to investigate the motion of the free surface. To describe the topological deformation of the fluid interface, the cell in the single-phase free surface model is divided into three types: fluid cells, interface cells and the empty cells. The distinctive feature of the model is that the propagation and interaction processes are carried out only in the interface cell and the fluid cell. Numerical simulations of a droplet falling onto a resting fluid film [3] is presented. The Crown formation shown in figure 1 as well as the splashing droplets have been found at different dimensionless Reynolds and Weber numbers, Some comparison with experiment will be also made. REFERENCES [1] Y.H. Qian, D. D'Humières, P. Lallemand. Lattice BGK models for Navier-Stokes equation. Europhys. Lett 1992(17): 479-484. [2] N. Thurey, U. Rude. Interactive free surface fluids with the lattice Boltzmann method. Technical report 2005. University of Erlangen-Nuremberg, Germany. [3] Z.Y. Shi, Y.H. Yan, F. Yang, Y.H. Qian and G.H. Hu. A lattice Boltzmann method for simulation of a three dimensional drop impact on a liquid film. Journal of Hydrodynamics 2008,20 (3):267-272.

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

    PubMed

    Munafò, A; Panesi, M; Magin, T E

    2014-02-01

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

  10. Entropic Lattice Boltzmann Methods for Fluid Mechanics: Thermal, Multi-phase and Turbulence

    NASA Astrophysics Data System (ADS)

    Chikatamarla, Shyam; Boesch, F.; Frapolli, N.; Mazloomi, A.; Karlin, I.

    2014-11-01

    With its roots in statistical mechanics and kinetic theory, the lattice Boltzmann method (LBM) is a paradigm-changing innovation, offering for the first time an intrinsically parallel CFD algorithm. Over the past two decades, LBM has achieved numerous results in the field of CFD and is now in a position to challenge state-of-the art CFD techniques. Major restyling of LBM resulted in an unconditionally stable entropic LBM which restored Second Law (Boltzmann H theorem) in the LBM kinetics and thus enabled affordable direct simulations of fluid turbulence. In this talk, we shall review recent advances in ELBM as a practical, modeling-free tool for simulation of complex flow phenomenon. We shall present recent simulations of fluid turbulence including turbulent channel flow, flow past a circular cylinder, creation and dynamics of vortex tubes, and flow past a surface mounted cube. Apart from its achievements in turbulent flow simulations, ELBM has also presented us the opportunity to extend lattice Boltzmann method to higher order lattices which shall be employed for turbulent, multi-phase and thermal flow simulations. A new class of entropy functions are proposed to handle non-ideal equation of state and surface tension terms in multi-phase flows. It is shown the entropy principle brings unconditional stability and thermodynamic consistency to all the three flow regimes considered here. Acknowledgements: ERC Advanced Grant ``ELBM'' and CSCS grant s437 are deeply acknowledged. References:

  11. Finite-difference lattice Boltzmann simulation on acoustics-induced particle deposition

    NASA Astrophysics Data System (ADS)

    Fu, Sau-Chung; Yuen, Wai-Tung; Wu, Chili; Chao, Christopher Yu-Hang

    2015-10-01

    Particle manipulation by acoustics has been investigated for many years. By a proper design, particle deposition can be induced by the same principle. The use of acoustics can potentially be developed into an energy-efficient technique for particle removal or filtration system as the pressure drop due to acoustic effects is low and the flow velocity is not necessary to be high. Two nonlinear acoustic effects, acoustic streaming and acoustic radiation pressure, are important. Acoustic streaming introduces vortices and stagnation points on the surface of an air duct and removes the particles by deposition. Acoustic radiation pressure causes particles to form agglomerates and enhances inertial impaction and/or gravitational sedimentation. The objective of this paper is to develop a numerical model to investigate the particle deposition induced by acoustic effects. A three-step approach is adopted and lattice Boltzamnn technique is employed as the numerical method. This is because the lattice Boltzmann equation is hyperbolic and can be solved locally, explicitly, and efficiently on parallel computers. In the first step, the acoustic field and its mean square fluctuation values are calculated. Due to the advantage of the lattice Boltzmann technique, a simple, stable and fast lattice Boltzmann method is proposed and verified. The result of the first step is input into the second step to solve for acoustic streaming. Another finite difference lattice Boltzmann method, which has been validated by a number of flows and benchmark cases in the literature, is used. The third step consists in tracking the particle's motion by a Lagrangian approach where the acoustic radiation pressure is considered. The influence of the acoustics effects on particle deposition is explained. The numerical result matches with an experiment. The model is a useful tool for optimizing the design and helps to further develop the technique.

  12. Variational Implicit Solvation with Poisson–Boltzmann Theory

    PubMed Central

    2015-01-01

    We incorporate the Poisson–Boltzmann (PB) theory of electrostatics into our variational implicit-solvent model (VISM) for the solvation of charged molecules in an aqueous solvent. In order to numerically relax the VISM free-energy functional by our level-set method, we develop highly accurate methods for solving the dielectric PB equation and for computing the dielectric boundary force. We also apply our VISM-PB theory to analyze the solvent potentials of mean force and the effect of charges on the hydrophobic hydration for some selected molecular systems. These include some single ions, two charged particles, two charged plates, and the host–guest system Cucurbit[7]uril and Bicyclo[2.2.2]octane. Our computational results show that VISM with PB theory can capture well the sensitive response of capillary evaporation to the charge in hydrophobic confinement and the polymodal hydration behavior and can provide accurate estimates of binding affinity of the host–guest system. We finally discuss several issues for further improvement of VISM. PMID:24803864

  13. On boundary conditions in the Lattice-Boltzmann method

    NASA Astrophysics Data System (ADS)

    Tessarotto, Massimo; Sarmah, Deep

    2004-11-01

    A critical issue in computational fluid dynamics is the treatment of boundary conditions adopted in particle-simulation methods based on discrete Lattice-Boltzmann (LB) kinetic descriptions. In fact, although progress has been in the past made regarding the mathematical treatment of boundary conditions in LB approaches [see for example 1,2 and references therein], the problem cannot be considered fully solved from the physical standpoint for several different reasons. In particular, the action of surface forces or local volume forces ( localized interactions), may be significant not only in the case of free boundaries, but also for fixed or moving boundaries characterized by prescribed velocity. Purpose of this work is to propose a novel LB approach which embodies not only the possible effect of localized interactions but also assures the correct fulfillment of fluid equations on fixed or moving boundaries. References 1 - R.Mei, W.Shyy, L.Luo, J.Comput.Phys.161(2), 680 (2000). 2 - X.Zhang, J.W.Crawford, A.G.Bengough, Y.M.Young, Ad. Wat. Res. 25, 601 (2002).

  14. Force Evaluation in the Lattice Boltzmann Method Involving Curved Geometry

    NASA Technical Reports Server (NTRS)

    Mei, Renwei; Yu, Dazhi; Shyy, Wei; Luo, Li-Shi; Bushnell, Dennis M. (Technical Monitor)

    2002-01-01

    The present work investigates two approaches for force evaluation in the lattice Boltzmann equation: the momentum- exchange method and the stress-integration method on the surface of a body. The boundary condition for the particle distribution functions on curved geometries is handled with second order accuracy based on our recent works. The stress-integration method is computationally laborious for two-dimensional flows and in general difficult to implement for three-dimensional flows, while the momentum-exchange method is reliable, accurate, and easy to implement for both two-dimensional and three-dimensional flows. Several test cases are selected to evaluate the present methods, including: (i) two-dimensional pressure-driven channel flow; (ii) two-dimensional uniform flow past a column of cylinders; (iii) two-dimensional flow past a cylinder asymmetrically placed in a channel (with vortex shedding); (iv) three-dimensional pressure-driven flow in a circular pipe; and (v) three-dimensional flow past a sphere. The drag evaluated by using the momentum-exchange method agrees well with the exact or other published results.

  15. Consistent lattice Boltzmann methods for incompressible axisymmetric flows

    NASA Astrophysics Data System (ADS)

    Zhang, Liangqi; Yang, Shiliang; Zeng, Zhong; Yin, Linmao; Zhao, Ya; Chew, Jia Wei

    2016-08-01

    In this work, consistent lattice Boltzmann (LB) methods for incompressible axisymmetric flows are developed based on two efficient axisymmetric LB models available in the literature. In accord with their respective original models, the proposed axisymmetric models evolve within the framework of the standard LB method and the source terms contain no gradient calculations. Moreover, the incompressibility conditions are realized with the Hermite expansion, thus the compressibility errors arising in the existing models are expected to be reduced by the proposed incompressible models. In addition, an extra relaxation parameter is added to the Bhatnagar-Gross-Krook collision operator to suppress the effect of the ghost variable and thus the numerical stability of the present models is significantly improved. Theoretical analyses, based on the Chapman-Enskog expansion and the equivalent moment system, are performed to derive the macroscopic equations from the LB models and the resulting truncation terms (i.e., the compressibility errors) are investigated. In addition, numerical validations are carried out based on four well-acknowledged benchmark tests and the accuracy and applicability of the proposed incompressible axisymmetric LB models are verified.

  16. Spectrum Analysis of Some Kinetic Equations

    NASA Astrophysics Data System (ADS)

    Yang, Tong; Yu, Hongjun

    2016-11-01

    We analyze the spectrum structure of some kinetic equations qualitatively by using semigroup theory and linear operator perturbation theory. The models include the classical Boltzmann equation for hard potentials with or without angular cutoff and the Landau equation with {γ≥q-2}. As an application, we show that the solutions to these two fundamental equations are asymptotically equivalent (mod time decay rate {t^{-5/4}}) as {tto∞} to that of the compressible Navier-Stokes equations for initial data around an equilibrium state.

  17. Modeling the Lyα Forest in Collisionless Simulations

    NASA Astrophysics Data System (ADS)

    Sorini, Daniele; Oñorbe, José; Lukić, Zarija; Hennawi, Joseph F.

    2016-08-01

    Cosmological hydrodynamic simulations can accurately predict the properties of the intergalactic medium (IGM), but only under the condition of retaining the high spatial resolution necessary to resolve density fluctuations in the IGM. This resolution constraint prohibits simulating large volumes, such as those probed by BOSS and future surveys, like DESI and 4MOST. To overcome this limitation, we present “Iteratively Matched Statistics” (IMS), a novel method to accurately model the Lyα forest with collisionless N-body simulations, where the relevant density fluctuations are unresolved. We use a small-box, high-resolution hydrodynamic simulation to obtain the probability distribution function (PDF) and the power spectrum of the real-space Lyα forest flux. These two statistics are iteratively mapped onto a pseudo-flux field of an N-body simulation, which we construct from the matter density. We demonstrate that our method can reproduce the PDF, line of sight and 3D power spectra of the Lyα forest with good accuracy (7%, 4%, and 7% respectively). We quantify the performance of the commonly used Gaussian smoothing technique and show that it has significantly lower accuracy (20%-80%), especially for N-body simulations with achievable mean inter-particle separations in large-volume simulations. In addition, we show that IMS produces reasonable and smooth spectra, making it a powerful tool for modeling the IGM in large cosmological volumes and for producing realistic “mock” skies for Lyα forest surveys.

  18. Magnetorotational Turbulence and Dynamo in a Collisionless Plasma

    NASA Astrophysics Data System (ADS)

    Kunz, Matthew W.; Stone, James M.; Quataert, Eliot

    2016-12-01

    We present results from the first 3D kinetic numerical simulation of magnetorotational turbulence and dynamo, using the local shearing-box model of a collisionless accretion disk. The kinetic magnetorotational instability grows from a subthermal magnetic field having zero net flux over the computational domain to generate self-sustained turbulence and outward angular-momentum transport. Significant Maxwell and Reynolds stresses are accompanied by comparable viscous stresses produced by field-aligned ion pressure anisotropy, which is regulated primarily by the mirror and ion-cyclotron instabilities through particle trapping and pitch-angle scattering. The latter endow the plasma with an effective viscosity that is biased with respect to the magnetic-field direction and spatiotemporally variable. Energy spectra suggest an Alfvén-wave cascade at large scales and a kinetic-Alfvén-wave cascade at small scales, with strong small-scale density fluctuations and weak nonaxisymmetric density waves. Ions undergo nonthermal particle acceleration, their distribution accurately described by a κ distribution. These results have implications for the properties of low-collisionality accretion flows, such as that near the black hole at the Galactic center.

  19. Magnetorotational Turbulence and Dynamo in a Collisionless Plasma.

    PubMed

    Kunz, Matthew W; Stone, James M; Quataert, Eliot

    2016-12-02

    We present results from the first 3D kinetic numerical simulation of magnetorotational turbulence and dynamo, using the local shearing-box model of a collisionless accretion disk. The kinetic magnetorotational instability grows from a subthermal magnetic field having zero net flux over the computational domain to generate self-sustained turbulence and outward angular-momentum transport. Significant Maxwell and Reynolds stresses are accompanied by comparable viscous stresses produced by field-aligned ion pressure anisotropy, which is regulated primarily by the mirror and ion-cyclotron instabilities through particle trapping and pitch-angle scattering. The latter endow the plasma with an effective viscosity that is biased with respect to the magnetic-field direction and spatiotemporally variable. Energy spectra suggest an Alfvén-wave cascade at large scales and a kinetic-Alfvén-wave cascade at small scales, with strong small-scale density fluctuations and weak nonaxisymmetric density waves. Ions undergo nonthermal particle acceleration, their distribution accurately described by a κ distribution. These results have implications for the properties of low-collisionality accretion flows, such as that near the black hole at the Galactic center.

  20. Firehose, Mirror, and Magnetorotational Instabilities in a Collisionless Shearing Plasma

    NASA Astrophysics Data System (ADS)

    Kunz, Matthew; Schekochihin, Alexander; Stone, James; Melville, Scott; Quataert, Eliot

    2015-11-01

    Describing the large-scale behavior of weakly collisional magnetized plasmas, such as the solar wind, black-hole accretion flows, or the intracluster medium of galaxy clusters, necessitates a detailed understanding of the kinetic-scale physics governing the dynamics of magnetic fields and the transport of momentum and heat. This physics is complicated by the fact that such plasmas are expected to exhibit particle distribution functions with unequal thermal pressures in the directions parallel and perpendicular to the local magnetic field. This pressure anisotropy can trigger fast Larmor-scale instabilities - namely, firehose and mirror - which solar-wind observations suggest to be effective at regulating the pressure anisotropy to marginally stable levels. Results from weakly nonlinear theory and hybrid-kinetic particle-in-cell simulations that address how marginal stability is achieved and maintained in a plasma whose pressure anisotropy is driven by a shearing magnetic field are presented. Fluctuation spectra and effective collisionality are highlighted. These results are placed in the context of our ongoing studies of magnetorotational turbulence in collisionless astrophysical accretion disks, in which microscale plasma instabilities regulate angular-momentum transport.