arXiv subjects

Bruce M. Boghosian

Publications and source records attributed to Bruce M. Boghosian.

At least 37 records · Page 2Linked to original sources

arXiv2002

Galilean-Invariant Lattice-Boltzmann Models with H-Theorem

We demonstrate that the requirement of galilean invariance determines the choice of H function for a wide class of entropic lattice Boltzmann models for the incompressible Navier-Stokes equations. The required H function has the form of the Burg entropy for D=2, and of a Tsallis entropy with q=1-2/D for D>2, where D is the number of spatial dimensions. We use this observation to construct a fully explicit, unconditionally stable, galilean invariant, lattice-Boltzmann model for the incompressible Navier-Stokes equations, for which attainable Reynolds number is limited only by grid resolution.

cond-mat.stat-mech↗

arXiv2002

Quaternionic Madelung Transformation and Non-Abelian Fluid Dynamics

In the 1920's, Madelung noticed that if the complex Schroedinger wavefunction is expressed in polar form, then its modulus squared and the gradient of its phase may be interpreted as the hydrodynamic density and velocity, respectively, of a compressible fluid. In this paper, we generalize Madelung's transformation to the quaternionic Schroedinger equation. The non-abelian nature of the full SU(2) gauge group of this equation leads to a richer, more intricate set of fluid equations than those arising from complex quantum mechanics. We begin by describing the quaternionic version of Madelung's transformation, and identifying its ``hydrodynamic'' variables. In order to find Hamiltonian equations of motion for these, we first develop the canonical Poisson bracket and Hamiltonian for the quaternionic Schroedinger equation, and then apply Madelung's transformation to derive non-canonical Poisson brackets yielding the desired equations of motion. These are a particularly natural set of equations for a non-abelian fluid, and differ from those obtained by Bistrovic et al. only by a global gauge transformation. Because we have obtained these equations by a transformation of the quaternionic Schroedinger equation, and because many techniques for simulating complex quantum mechanics generalize straightforwardly to the quaternionic case, our observation leads to simple algorithms for the computer simulation of non-abelian fluids.

hep-th↗

arXiv2001

Three dimensional hydrodynamic lattice-gas simulations of domain growth and self-assembly in binary immiscible and ternary amphiphilic fluids

We simulate the dynamics of phase assembly in binary immiscible fluids and ternary microemulsions using a three-dimensional hydrodynamic lattice gas approach. For critical spinodal decomposition we perform the scaling analysis in reduced variables introduced by Jury et al. and Kendon et al. We find a late-stage scaling exponent consistent with the inertial regime. However, as observed with the previous lattice-gas model of Appert et al. our data does not fall in the same range of reduced length and time as that of Kendon et al. For off-critical binary spinodal decomposition we observe a reduction of the effective exponent with the volume fraction of the minority phase. However, the n=1/3 Lifshitz-Slyzov-Wagner droplet coalescence exponent is not observed. Adding a sufficient number of surfactant particles to a critical quench of binary immiscible fluids produces a ternary bicontinuous microemulsion. We observe a change in scaling behaviour from algebraic to logarithmic growth for amphiphilic fluids in which the domain growth is not arrested. For formation of a microemulsion where the domain growth is halted we find a stretched exponential growth law provides the best fit to the data.

cond-mat.soft↗

arXiv2000

A lattice-Boltzmann model for interacting amphiphilic fluids

We develop our recently proposed lattice-Boltzmann method for the non-equilibrium dynamics of amphiphilic fluids (Chen, Boghosian, Coveney and Nekovee, Proc. Roy. Soc. London A, 456, 1431 (2000).) Our method maintains an orientational degree of freedom for the amphiphilic species and models fluid interactions at a microscopic level by introducing self-consistent mean-field forces between the particles into the lattice-Boltzmann dynamics, in a way that is consistent with kinetic theory. We present the results of extensive simulations in two dimensions which demonstrate the ability of our model to capture the correct phenomenology of binary and ternary amphiphilic fluids.

cond-mat.soft↗

arXiv2000

Fourier Acceleration of Langevin Molecular Dynamics

Fourier acceleration has been successfully applied to the simulation of lattice field theories for more than a decade. In this paper, we extend the method to the dynamics of discrete particles moving in continuum. Although our method is based on a mapping of the particles' dynamics to a regular grid so that discrete Fourier transforms may be taken, it should be emphasized that the introduction of the grid is a purely algorithmic device and that no smoothing, coarse-graining or mean-field approximations are made. The method thus can be applied to the equations of motion of molecular dynamics (MD), or its Langevin or Brownian variants. For example, in Langevin MD simulations our acceleration technique permits a straightforward spectral decomposition of forces so that the long-wavelength modes are integrated with a longer time step, thereby reducing the time required to reach equilibrium or to decorrelate the system in equilibrium. Speedup factors of up to 30 are observed relative to pure (unaccelerated) Langevin MD. As with acceleration of critical lattice models, even further gains relative to the unaccelerated method are expected for larger systems. Preliminary results for Fourier-accelerated molecular dynamics are presented in order to illustrate the basic concepts. Possible extensions of the method and further lines of research are discussed.

cond-mat.stat-mech↗

arXiv1999

A Particulate Basis for an Immiscible Lattice-Gas Model

We show that a phenomenological hydrodynamic lattice-gas model of two-phase flow, developed by Rothman and Keller in 1988 and used extensively for numerical simulations since then, can be derived from an underlying model of particle interactions. From this result, we elucidate the nature of the hydrodynamic limit of the Rothman-Keller model.

cond-mat.soft↗

arXiv1999

A Ternary Lattice Boltzmann Model for Amphiphilic Fluids

A lattice Boltzmann model for amphiphilic fluid dynamics is presented. It is a ternary model, in that it conserves mass separately for each chemical species present (water, oil, amphiphile), and it maintains an orientational degree of freedom for the amphiphilic species. Moreover, it models fluid interactions at the microscopic level by introducing self-consistent forces between the particles, rather than by positing a Landau free energy functional. This combination of characteristics fills an important need in the hierarchy of models currently available for amphiphilic fluid dynamics, enabling efficient computer simulation and furnishing new theoretical insight. Several computational results obtained from this model are presented and compared to existing lattice-gas model results. In particular, it is noted that lamellar structures, which are precluded by the Peierls instability in two-dimensional systems with kinetic fluctuations, are not observed in lattice-gas models, but are easily found in the corresponding lattice Boltzmann models. This points out a striking difference in the phenomenology accessible to each type of model.

cond-mat.soft↗

arXiv1999

A three-dimensional lattice gas model for amphiphilic fluid dynamics

We describe a three-dimensional hydrodynamic lattice-gas model of amphiphilic fluids. This model of the non-equilibrium properties of oil-water-surfactant systems, which is a non-trivial extension of an earlier two-dimensional realisation due to Boghosian, Coveney and Emerton [Boghosian, Coveney, and Emerton 1996, Proc. Roy. Soc. A 452, 1221-1250], can be studied effectively only when it is implemented using high-performance computing and visualisation techniques. We describe essential aspects of the model's theoretical basis and computer implementation, and report on the phenomenological properties of the model which confirm that it correctly captures binary oil-water and surfactant-water behaviour, as well as the complex phase behaviour of ternary amphiphilic fluids.

cond-mat.soft↗

arXiv1999

A Generalization of Metropolis and Heat-Bath Sampling for Monte Carlo Simulations

For a wide class of applications of the Monte Carlo method, we describe a general sampling methodology that is guaranteed to converge to a specified equilibrium distribution function. The method is distinct from that of Metropolis in that it is sometimes possible to arrange for unconditional acceptance of trial moves. It involves sampling states in a local region of phase space with probability equal to, in the first approximation, the square root of the desired global probability density function. The validity of this choice is derived from the Chapman-Kolmogorov equation, and the utility of the method is illustrated by a prototypical numerical experiment.

cond-mat.stat-mech↗

arXiv1999

Lattice Gases and Cellular Automata

We review the class of cellular automata known as lattice gases, and their applications to problems in physics and materials science. The presentation is self-contained, and assumes very little prior knowledge of the subject. Hydrodynamic lattice gases are emphasized, and non-lattice-gas cellular automata -- even those with physical applications -- are not treated at all. We begin with a review of lattice gases as the term is understood in equilibrium statistical physics. We then discuss the various methods that have been proposed to simulate hydrodynamics with a lattice gas, leading up to the 1986 discovery of a lattice gas for the isotropic Navier-Stokes equations. Finally, we discuss variants of lattice-gas models that have been used for the simulation of complex fluids.

comp-gas↗

arXiv1998

Navier-Stokes Equations for Generalized Thermostatistics

Tsallis has proposed a generalization of Boltzmann-Gibbs thermostatistics by introducing a family of generalized nonextensive entropy functionals with a single parameter $q$. These reduce to the extensive Boltzmann-Gibbs form for $q=1$, but a remarkable number of statistical and thermodynamic properties have been shown to be $q$-invariant -- that is, valid for any $q$. In this paper, we address the question of whether or not the value of $q$ for a given viscous, incompressible fluid can be ascertained solely by measurement of the fluid's hydrodynamic properties. We find that the hydrodynamic equations expressing conservation of mass and momentum are $q$-invariant, but that for conservation of energy is not. Moreover, we find that ratios of transport coefficients may also be $q$-dependent. These dependences may therefore be exploited to measure $q$ experimentally.

cond-mat.stat-mech↗

arXiv1998

Inverse Chapman-Enskog Derivation of the Thermohydrodynamic Lattice-BGK Model for the Ideal Gas

A thermohydrodynamic lattice-BGK model for the ideal gas was derived by Alexander et al. in 1993, and generalized by McNamara et al. in the same year. In these works, particular forms for the equilibrium distribution function and the transport coefficients were posited and shown to work, thereby establishing the sufficiency of the model. In this paper, we rederive the model from a minimal set of assumptions, and thereby show that the forms assumed for the shear and bulk viscosities are also necessary, but that the form assumed for the thermal conductivity is not. We derive the most general form allowable for the thermal conductivity, and the concomitant generalization of the equilibrium distribution. In this way, we show that it is possible to achieve variable (albeit density-dependent) Prandtl number even within a single-relaxation-time lattice-BGK model. We accomplish this by demanding analyticity of the third moments and traces of the fourth moments of the equilibrium distribution function. The method of derivation demonstrates that certain undesirable features of the model -- such as the unphysical dependence of the viscosity coefficients on temperature -- cannot be corrected within the scope of lattice-BGK models with constant relaxation time.

comp-gas↗

arXiv1997

Simulation of Self-Reproducing Micelles using a Lattice-Gas Automaton

We simulate self-reproducing micellar systems using a recently introduced lattice-gas automaton. This dynamical model correctly describes the equilibrium and non-equilibrium properties of mixtures of oil, water and surfactants. The simulations reported here mimic the experiments of Luisi et al. in which caprylate micelles are formed by alkaline hydrolysis of immiscible ethyl caprylate ester. As in the laboratory experiments, we find an extended induction period during which the concentration of micelles remains small; thereafter the ester is consumed very rapidly with concomitant production of micelles.

cond-mat.soft↗

arXiv1997

Shear-Induced Isotropic-to-Lamellar Transition in a Lattice-Gas Model of Ternary Amphiphilic Fluids

Although shear-induced isotropic-to-lamellar transitions in ternary systems of oil, water and surfactant have been observed experimentally and predicted theoretically by simple models for some time now, their numerical simulation has not been achieved so far. In this work we demonstrate that a recently introduced hydrodynamic lattice-gas model of amphiphilic fluids is well suited for this purpose: the two-dimensional version of this model does indeed exhibit a shear-induced isotropic-to-lamellar phase transition.

cond-mat.soft↗

arXiv1997

Lattice-Gas Simulations of Minority-Phase Domain Growth in Binary Immiscible and Ternary Amphiphilic Fluid

We investigate the growth kinetics of binary immiscible fluids and emulsions in two dimensions using a hydrodynamic lattice-gas model. We perform off-critical quenches in the binary fluid case and find that the domain size within the minority phase grows algebraically with time in accordance with theoretical predictions. In the late time regime we find a growth exponent n = 0.45 over a wide range of concentrations, in good agreement with other simluations. In the early time regime we find no universal growth exponent but a strong dependence on the concentration of the minority phase. In the ternary amphiphilic fluid case the kinetics of self assembly of the droplet phase are studied for the first time. At low surfactant concentrations, we find that, after an early algebraic growth, a nucleation regime dominates the late-time kinetics, which is enhanced by an increasing concentration of surfactant. With a further increase in the concentration of surfactant, we see a crossover to logarithmically slow growth, and finally saturation of the oil droplets, which we fit phenomenologically to a stretched exponential function. Finally, the transition between the droplet and the sponge phase is studied.

cond-mat.soft↗

arXiv1997

Simulating quantum mechanics on a quantum computer

Algorithms are described for efficiently simulating quantum mechanical systems on quantum computers. A class of algorithms for simulating the Schrodinger equation for interacting many-body systems are presented in some detail. These algorithms would make it possible to simulate nonrelativistic quantum systems on a quantum computer with an exponential speedup compared to simulations on classical computers. Issues involved in simulating relativistic systems of Dirac and gauge particles are discussed.

quant-ph↗

arXiv1997

Quantum lattice-gas models for the many-body Schrodinger equation

A general class of discrete unitary models are described whose behavior in the continuum limit corresponds to a many-body Schrodinger equation. On a quantum computer, these models could be used to simulate quantum many-body systems with an exponential speedup over analogous simulations on classical computers. On a classical computer, these models give an explicitly unitary and local prescription for discretizing the Schrodinger equation. It is shown that models of this type can be constructed for an arbitrary number of particles moving in an arbitrary number of dimensions with an arbitrary interparticle interaction.

quant-ph↗

arXiv1997

A Quantum Lattice-Gas Model for the Many-Particle Schroedinger Equation

We consider a general class of discrete unitary dynamical models on the lattice. We show that generically such models give rise to a wavefunction satisfying a Schroedinger equation in the continuum limit, in any number of dimensions. There is a simple mathematical relationship between the mass of the Schroedinger particle and the eigenvalues of a unitary matrix describing the local evolution of the model. Second quantized versions of these unitary models can be defined, describing in the continuum limit the evolution of a nonrelativistic quantum many-body theory. An arbitrary potential is easily incorporated into these systems. The models we describe fall in the class of quantum lattice gas automata, and can be implemented on a quantum computer with a speedup exponential in the number of particles in the system. This gives an efficient algorithm for simulating general nonrelativistic interacting quantum many-body systems on a quantum computer.

quant-ph↗