Lattice gas with “interaction potential”

We present an extension of a simple automaton model to incorporate nonlocal interactions extending over a spatial range in lattice gases. From the viewpoint of statistical mechanics, the lattice gas with interaction range may serve as a prototype for non-ideal-gas behavior. From the density fluctuations correlation function, we obtain a quantity which is identified as a potential of mean force. Equilibrium and transport properties are computed theoretically and by numerical simulations to establish the validity of the model at macroscropic scale.     

Deconfinement phase transition in a 3D nonlocal U(1) lattice gauge theory

We introduce a 3D compact U(1) lattice gauge theory having nonlocal interactions in the temporal direction, and study its phase structure. The model is relevant for the compact QED3 and strongly correlated electron systems like the t-J model of cuprates. For a power-law decaying long-range interaction, which simulates the effect of gapless matter fields, a second-order phase transition takes place separating the confinement and deconfinement phases. For an exponentially decaying interaction simulating matter fields with gaps, the system exhibits no signals of a second-order transition.     

多孔介质中流体流动及扩散的耦合格子Boltzmann模型

多孔介质中高Péclet数和大黏性比下混溶流体的流动和扩散广泛存在于二氧化碳驱油、化工生产等工业过程中.用数值方法对该问题进行研究时,关键在于如何正确描述高Péclet数和大黏性比下多孔介质内流体的行为.为此,提出了一种基于多松弛模型和格子动理模型的耦合格子Boltzmann模型.通过Chapman-Enskog分析,证明该模型能有效求解不可压Navier-Stokes方程和对流扩散方程.数值结果表明,该模型不仅具有二阶精度和良好的稳健性,而且对于高Péclet数和大黏性比的问题具有良好的数值稳定性,为模拟此类问题提供了有效工具.     

Lattice mesoscopic model of dynamically heterogeneous fluids

We introduce a mesoscopic three-dimensional lattice Boltzmann model which attempts to mimic the physical features associated with cage effects in dynamically heterogeneous fluids. To this purpose, we extend the standard lattice Boltzmann dynamics with self-consistent constraints based on the nonlocal density of the surrounding fluid. The resulting dynamics exhibits typical features of dynamic heterogeneous fluids, such as non-Gaussian density distributions and long-time relaxation. Because of its intrinsically parallel dynamics, and absence of statistical noise, the method is expected to compute significantly faster than molecular dynamics, Monte Carlo, and lattice glass models.     

瑞利-泰勒不稳定性的格子玻耳兹曼模拟

发展了一个不相混两相流体的格子玻耳兹曼模型，模拟瑞利-泰勒不稳定性．模型使用正方格阵并引入了一外力．数值模拟得到了界面扰动的线性和非线性发展图象，并与实验和其它方法的结果进行了比较 关键词：     

Nonequilibrium steady states of stochastic lattice gas models of fast ionic conductors

We investigate theoretically and via computer simulation the stationary nonequilibrium states of a stochastic lattice gas under the influence of a uniform external fieldE. The effect of the field is to bias jumps in the field direction and thus produce a current carrying steady state. Simulations on a periodic 30 × 30 square lattice with attractive nearest-neighbor interactions suggest a nonequilibrium phase transition from a disordered phase to an ordered one, similar to the para-to-ferromagnetic transition in equilibriumE=0. At low temperatures and largeE the system segregates into two phases with an interface oriented parallel to the field. The critical temperature is larger than the equilibrium Onsager value atE=0 and increases with the field. For repulsive interactions the usual equilibrium phase transition (ordering on sublattices) is suppressed. We report on conductivity, bulk diffusivity, structure function, etc. in the steady state over a wide range of temperature and electric field. We also present rigorous proofs of the Kubo formula for bulk diffusivity and electrical conductivity and show the positivity of the entropy production for a general class of stochastic lattice gases in a uniform electric field.Supported in part by National Science Foundation Grant DMR81-14726 and NATO Grant 040.82.Work supported in part by a Lafayette College Junior Faculty Leave Grant.Work supported in part by a Heisenberg fellowship of the Deutsche Forschungsgemeinschaft.     

Implicit method for simulating electrohydrodynamics of polyelectrolytes

We introduce a novel method to couple Lennard-Jones beads to a lattice-Boltzmann fluid by adding a term which represents the slip within the Debye layer with respect to the surrounding fluid. The method produces realistic electrophoretic dynamics of charged free chains, as well as the correct stall force in the limit of a thin Debye layer. Our simulations also demonstrate how a net-neutral polyampholyte can have a nonzero net force due to hydrodynamic interactions. This method represents an efficient way to simulate a wide variety of complex problems in electrohydrodynamics.     

Local simulation algorithms for Coulomb interactions

Long ranged electrostatic interactions are time consuming to calculate in molecular dynamics and Monte Carlo simulations. We introduce an algorithmic framework for simulating charged particles which modifies the dynamics so as to allow equilibration using a local Hamiltonian. The method introduces an auxiliary field with constrained dynamics so that the equilibrium distribution is determined by the Coulomb interaction. We demonstrate the efficiency of the method by simulating a simple, charged lattice gas.     

Stable periodic density waves in dipolar Bose-Einstein condensates trapped in optical lattices

Density-wave patterns in discrete media with local interactions are known to be unstable. We demonstrate that stable double- and triple-period patterns (DPPs and TPPs), with respect to the period of the underlying lattice, exist in media with nonlocal nonlinearity. This is shown in detail for dipolar Bose-Einstein condensates, loaded into a deep one-dimensional optical lattice. The DPP and TPP emerge via phase transitions of the second and first kind, respectively. The emerging patterns may be stable if the dipole-dipole interactions are repulsive and sufficiently strong, in comparison with the local repulsive nonlinearity. Within the set of the considered states, the TPPs realize a minimum of the free energy. A vast stability region for the TPPs is found in the parameter space, while the DPP stability region is relatively narrow. The same mechanism may create stable density-wave patterns in other physical media featuring nonlocal interactions.     

Field-induced percolation in a polarized lattice gas

We introduce a lattice gas model with particles carrying a charge either +1 or –1 and drifting in opposite directions due to the presence of an external field. Our numerical simulations show the formation of polarized clusters elongated along the direction of the field. At low enough temperatures the clusters percolate through the system in a similar way as in the strip phase of the driven lattice gas model. A possible application of the model can be found in microemulsions.     

Application of Differential Forms to Construction of Nonlocal Symmetries

Abstract

Differential forms are used for construction of nonlocal symmetries of partial differential equations with conservation laws. Every conservation law allows to introduce a nonlocal variable corresponding to a conserved quantity. A prolongation technique is suggested for action of symmetry operators on these nonlocal variables. It is shown how to introduce these variables for the symmetry group to remain the same. A new hidden symmetry and corresponding group-invariant solution are found for gas dynamic equations.     

Lattice-Boltzmann Simulations of Particle-Fluid Suspensions

This paper reviews applications of the lattice-Boltzmann method to simulations of particle-fluid suspensions. We first summarize the available simulation methods for colloidal suspensions together with some of the important applications of these methods, and then describe results from lattice-gas and lattice-Boltzmann simulations in more detail. The remainder of the paper is an update of previously published work,^{(69, 70)} taking into account recent research by ourselves and other groups. We describe a lattice-Boltzmann model that can take proper account of density fluctuations in the fluid, which may be important in describing the short-time dynamics of colloidal particles. We then derive macro-dynamical equations for a collision operator with separate shear and bulk viscosities, via the usual multi-time-scale expansion. A careful examination of the second-order equations shows that inclusion of an external force, such as a pressure gradient, requires terms that depend on the eigenvalues of the collision operator. Alternatively, the momentum density must be redefined to include a contribution from the external force. Next, we summarize recent innovations and give a few numerical examples to illustrate critical issues. Finally, we derive the equations for a lattice-Boltzmann model that includes transverse and longitudinal fluctuations in momentum. The model leads to a discrete version of the Green–Kubo relations for the shear and bulk viscosity, which agree with the viscosities obtained from the macro-dynamical analysis. We believe that inclusion of longitudinal fluctuations will improve the equipartition of energy in lattice-Boltzmann simulations of colloidal suspensions.     

Phase structure of a 3D nonlocal U(1) gauge theory: deconfinement by gapless matter fields

In this paper, we study a 3D compact U(1) lattice gauge theory with a variety of nonlocal interactions that simulates the effects of gapless/gapful matter fields. We restrict the nonlocal interactions among gauge variables only to those along the temporal direction and adjust their coupling constants optimally to simulate the isotropic nonlocal couplings of the original model. This theory is quite important to investigate the phase structures of QED₃ and strongly-correlated electron systems like the 2D quantum spin models, the fractional quantum Hall effect, the $t\text{–}J$ model of high-temperature superconductivity. We perform numerical studies of this theory to find that, for a certain class of power-decaying couplings, there appears a second-order phase transition to the deconfinement phase as the gauge coupling constant is decreased. On the other hand, for the exponentially-decaying coupling, there are no signals for second-order phase transition. These results indicate the possibility that introduction of sufficient number of massless matter fields destabilizes the permanent confinement in the 3D compact U(1) pure gauge theory due to instantons.     

DNA denaturation for a tangled chain

Summary We have considered a model of a lattice gas defined on a periodic tangled chain to study the DNA denaturation by a modified transfer matrix method. By using an iterative algorithm we have obtained numerically different kinds of melting curves for different configurations of the tangled chain and different types of interactions. In some special cases of configurations and interactions we have found the same melting curves, which we have obtained before studying some simple lattice gas models, using different techniques. This more generalized model and the new results could be useful for the experimental investigations.     

Lattice-Boltzmann Simulation of Capillary Rise Dynamics

We report results of extensive two-phase lattice-Boltzmann simulations of capillary rise dynamics. We demonstrate that the method can be used to model the hydrodynamic behaviour inside a capillary tube provided that the diameter of the tube is large enough, typically at least 30 lattice units. We also present results for the dependence of the cosine of the dynamic contact angle on the capillary number Ca. Its deviation from the static advancing contact angle has a power-law form, with the value of the exponent very close to 3/2 for capillary rise at zero gravity, while behaviour is more complex in the presence of gravity.     

Vortex lattice structural transitions: a Ginzburg-Landau model approach

We analyze the rhombic to square vortex lattice phase transition in anisotropic superconductors using a variant of Ginzburg-Landau theory. The mean-field phase diagram is determined to second order in the anisotropy parameter, and shows a reorientation transition of the square vortex lattice with respect to the crystal lattice. We then derive the long-wavelength elastic moduli of the lattices, and use them to show that thermal fluctuations produce a reentrant rhombic to square lattice transition line, similar to recent studies which used a nonlocal London model.     

Diffusion Monte Carlo method with lattice regularization

We introduce an efficient lattice regularization scheme for quantum Monte Carlo calculations of realistic electronic systems. The kinetic term is discretized by a finite difference Laplacian with two mesh sizes, a and a', chosen so that the electrons can diffuse in a configuration space which is in practice indistinguishable from the continuum, and the different length scales in the system can be efficiently taken in account. The regularized Hamiltonian goes to the continuous limit for a --> 0 and allows the inclusion of nonlocal potentials in a consistent variational scheme, substantially improving the accuracy upon previous nonvariational approaches.     

Correlated spin networks in frustrated systems

We introduce a network model for frustrated spin systems based on highly correlated spin fluctuations, to quantify and visualize their ordering. This model shows that networks of strongly correlated but non-contiguous spins exist at low temperatures on a triangular Ising lattice with competing nearest-neighbor interactions. This finding is consistent with chaotic renormalization-group trajectories previously reported for frustrated hierarchical lattices.     

Computer simulation of the carbon diffusivity in austenite

Tracer carbon diffusion in austenite is formulated in terms of a f.c.c. lattice gas model in which carbon interstitials repel at the distance of nearest neighbors. A Monte Carlo method is used to calculate the tracer carbon diffusivity as a function of composition and interaction energy. The computed diffusivities are discussed in relation to the experimentally determined diffusivities and the results of a model investigated by Parris and McLellan.