A particle method with adjustable transport properties—the generalized consistent Boltzmann algorithm

The consistent Boltzmann algorithm (CBA) for dense, hard-sphere gases is generalized to obtain the van der Waals equation of state and the corresponding exact viscosity at all densities except at the highest temperatures. A general scheme for adjusting any transport coefficients to higher values is presented.     

Upper Quantum Lyapunov Exponent and Anosov Relations for Quantum Systems Driven by a Classical Flow

We generalize the definition of quantum Anosov properties and the related Lyapunov exponents to the case of quantum systems driven by a classical flow, i.e. skew-product systems. We show that the skew Anosov properties can be interpreted as regular Anosov properties in an enlarged Hilbert space, in the framework of a generalized Floquet theory. This extension allows us to describe the hyperbolicity properties of almost-periodic quantum parametric oscillators and we show that their upper Lyapunov exponents are positive and equal to the Lyapunov exponent of the corresponding classical parametric oscillators. As second example, we show that the configurational quantum cat system satisfies quantum Anosov properties.     

The conjugate-pairing rule for non-Hamiltonian systems

In systems that satisfy the Conjugate Pairing Rule (CPR), the spectrum of Lyapunov exponents is symmetric. The sum of each conjugate pair of exponents is identical. Since in dissipative systems the sum of all the exponents is the entropy production divided by Boltzmann's constant, the calculation of transport coefficients from the Lyapunov exponents is greatly simplified in systems that satisfy CPR. Sufficient conditions for CPR are well known: the underlying adiabatic dynamics should be symplectic. However, the necessary conditions for CPR are not known. In this paper we report on the results of computer simulations which shed light on the necessary conditions for the CPR to hold. We provide, for the first time, convincing evidence that the standard molecular dynamics algorithm for calculating shear viscosity violates the CPR, even in the thermodynamic limit. In spite of this it appears that the sum of the maximal exponents is equal to the entropy production per degree of freedom. Thus it appears that the shear viscosity can still be calculated using the standard viscosity algorithm by summing the maximal pair of exponents.(c) 1998 American Institute of Physics.     

New method for computing finite-time Lyapunov exponents

We present a novel method for computing finite-time Lyapunov exponents and vectors, via generalizing a correction given by Goldhirsch, Sulem, and Orszag [Physica (Amsterdam) 27D, 311 (1987)]] into higher-order corrections. This method is a generalized LR method, which is, in contrast to the existing methods, applicable to multidimensional systems with degenerate spectra. The efficiency and accuracy is demonstrated by applying it to multidimensional dynamical systems. Without these corrections, we could not accurately detect, as an example, the coexistence of qualitatively different Lyapunov instabilities along a trajectory for a multidimensional oscillator system.     

Correlation regimes in systems of soft spherical particles studied by their Lyapunov exponents

We performed molecular dynamics simulations of soft spherical particles over wide ranges of densities and temperatures corresponding to fluids, glasses and crystalline solids, and calculated the full Lyapunov spectra of these systems. For either phase corresponding exponents essentially scale with the square-root of the temperature in accordance with kinetic theory. The density dependence is more pronounced and less systematic. The shape of the spectrum of a glass is different from that of a crystalline solid at the same density and temperature and resembles the spectrum of the initial dense liquid-like phase. For dilute gases the sum of the positive exponents approaches zero and is increasingly dominated by the largest exponent. Although systematic changes of the Lyapunov spectra were observed, it seems that the spectral shape does not uniquely determine the phase of the system.     

A criterion for the existence of spin waves in polarized gases in a wide temperature range

We derive a kinetic equation for a polarized paramagnetic gas that is exact in the Boltzmann (binary) approximation. The equation is written in a compact form and applies to both Fermi and Bose gases in a wide temperature range as long as the Boltzmann approximation remains applicable. The derived equation is used to analyze the conditions for the propagation of spin waves in polarized Fermi and Bose gases. We deduce a universal criterion for the propagation of weakly damped spin waves in a wide temperature range. The criterion is reduced to the condition that the real parts of the particle zero-angle scattering amplitudes (or T matrices) be much larger than their imaginary parts. We derive dispersion equations for spin waves at high and low gas temperatures and show that spin waves can propagate in both these limiting cases.     

Spatiotemporal chaos: the microscopic perspective

Extended nonequilibrium systems can be studied in the framework of field theory or from the dynamical systems perspective. Here we report numerical evidence that the sum of a well-defined number of instantaneous Lyapunov exponents for the complex Ginzburg-Landau equation is given by a simple function of the space average of the square of the macroscopic field. This relationship follows from an explicit formula for the time-dependent values of almost all the exponents.     

On diffusion equations for dynamical systems driven by noise

A unified formalism is presented to study Hamiltonian linear systems driven by noise. With this formalism, the phase averaging approximation, valid at weak noise, is easily performed. Already known results are straightforwardly recovered and new ones are obtained. After introducing this formalism on the exactly solvable one-degree-of-freedom problem with uncorrelated noise, one studies the corresponding exponentially correlated case. The validity of the approximate results thus obtained is considered by investigating the systematic weak-disorder expansion beyond the quasilinear approximation. In particular, it is argued that this expansion behaves uniformly for weak and large correlation time. The two-degrees-of-freedom problem is completely solved at the low-disorder approximation and this result is applied to the two-channel Anderson localization problem. The invariant measure and the two positive Lyapunov exponents are computed at all coupling between the channels. For systems withn degree of freedom the phase averaging leads to a Fokker-Planck equation for the measure in action space describing the system. However, it is argued that it is not solvable except in a special case which is explicitly displayed and solved. Nevertheless, in the large-n limit, it is possible to compute the largest Lyapunov exponent. Moreover, generalized Lyapunov exponents are calculated in this limit, and they do not exhibit a dispersion: in particular, log/log1, where is the energy of the system and where the brackets denote averaging over the noise. On the other hand, it is possible to compute at weak noise the sum of all the positive Lyapunov exponents. Taking into account all these results allows more insight on the whole spectrum of Lyapunov exponents.     

Lyapunov Instability for a Hard-Disk Fluid in Equilibrium and Nonequilibrium Thermostated by Deterministic Scattering

We compute the full Lyapunov spectra for a hard-disk fluid under temperature gradient and under shear. The Lyapunov exponents are calculated using a recently developed formalism for systems with elastic hard collisions. The system is thermalized by deterministic and time-reversible scattering at the boundary, whereas the bulk dynamics remains Hamiltonian. This thermostating mechanism allows for energy fluctuations around a mean value which is reflected by only two vanishing Lyapunov exponents in equilibrium and nonequilibrium. In nonequilibrium steady states the phase-space volume is contracted on average, leading to a negative sum of the Lyapunov exponents. Since the system is driven inhomogeneously we do not expect the conjugate pairing rule to hold, which is indeed shown to be the case. Finally, the Kaplan–Yorke dimension and the Kolmogorov–Sinai entropy are calculated from the Lyapunov spectra.     

Determining Lyapunov exponents from a time series

We present the first algorithms that allow the estimation of non-negative Lyapunov exponents from an experimental time series. Lyapunov exponents, which provide a qualitative and quantitative characterization of dynamical behavior, are related to the exponentially fast divergence or convergence of nearby orbits in phase space. A system with one or more positive Lyapunov exponents is defined to be chaotic. Our method is rooted conceptually in a previously developed technique that could only be applied to analytically defined model systems: we monitor the long-term growth rate of small volume elements in an attractor. The method is tested on model systems with known Lyapunov spectra, and applied to data for the Belousov-Zhabotinskii reaction and Couette-Taylor flow.     

An Elementary Proof of Lyapunov Exponent Pairing for Hard-Sphere Systems at Constant Kinetic Energy

The conjugate pairing of Lyapunov exponents for a field-driven system with smooth inter-particle interaction at constant total kinetic energy was first proved by Dettmann and Morriss [Phys. Rev. E 53:R5545 (1996)] using simple methods of geometry. Their proof was extended to systems interacting via hard-core inter-particle potentials by Wojtkowski and Liverani [Comm. Math. Phys. 194:47 (1998)], using more sophisticated methods. Another, and somewhat more direct version of the proof for hard-sphere systems has been provided by Ruelle [J. Stat. Phys. 95:393 (1999)]. However, these approaches for hard-sphere systems are somewhat difficult to follow. In this paper, a proof of the pairing of Lyapunov exponents for hard-sphere systems at constant kinetic energy is presented, based on a very simple explicit geometric construction, similar to that of Ruelle. Generalizations of this construction to higher dimensions and arbitrary shapes of scatterers or particles are trivial. This construction also works for hard-sphere systems in an external field with a Nosé–Hoover thermostat. However, there are situations of physical interest, where these proofs of conjugate pairing rule for systems interacting via hard-core inter-particle potentials break down.     

Generalized Boltzmann equation for lattice gas automata

In this paper a theory is formulated that predicts velocity and spatial correlations between occupation numbers that occur in lattice gas automata violating semi-detailed balance. Starting from a coupled BBGKY hierarchy for then-particle distribution functions, cluster expansion techniques are used to derive approximate kinetic equations. In zeroth approximation the standard nonlnear Boltzmann equation is obtained; the next approximation yields the ring kinetic equation, similar to that for hard-sphere systems, describing the time evolution of pair correlations. The ring equation is solved to determine the (nonvanishing) pair correlation functions in equilibrium for two models that violate semidetailed balance. One is a model of interacting random walkers on a line, the other one is a two-dimensional fluid-type model on a triangular lattice. The numerical predictions agree very well with computer simulations.     

Dynamical chaos in the Lorentz lattice gas

This paper provides an introduction to the applications of dynamical systems theory to nonequilibrium statistical mechanics, in particular to a study of nonequilibrium phenomena in Lorentz lattice gases with stochastic collision rules. Using simple arguments, based upon discussions in the mathematical literature, we show that such lattice gases belong to the category of dynamical systems with positive Lyapunov exponents. This is accomplished by showing how such systems can be expressed in terms of continuous phase space variables. Expressions for the Lyapunov exponent of a one-dimensional Lorentz lattice gas with periodic boundaries are derived. Other quantities of interest for the theory of irreversible processes are discussed.     

Local Lyapunov exponents for spatiotemporal chaos

Local Lyapunov exponents are proposed for characterization of perturbations in distributed dynamical systems with chaotic behavior. Their relation to usual and velocity-dependent exponents is discussed. Local Lyapunov exponents are analytically calculated for coupled map lattices using random field approximation. Boundary Lyapunov exponents describing reflection of perturbations at boundaries are also introduced and calculated.     

Relaxation and transport in FCHC lattice gases

FCHC lattice gases are the basic models for studying flow problems in three-dimensional systems. This paper presents a self-contained theoretical analysis and some computer simulations of such lattice gases, extended to include an arbitrary number of rest particles, with special emphasis on non-semi-detailed balance (NSDB) models. The special FCHC lattice symmetry guarantees isotropy of the Navier-Stokes equations, and enumerates the 12 spurious conservation laws (staggered momenta). The kinetic theory is based on the mean field approximation or the nonlinear Boltzmann equation. It is shown how calculation of the eigenvalues of the linearized Boltzmann equation offers a simple alternative to the Chapman-Enskog method or the multi-time-scale methods for calculating transport coefficients and relaxation rates. The simulated values for the speed of sound in NSDB models slightly disagree with the Boltzmann prediction.     

一类延迟混沌系统沿主轴方向上Lyapunov指数的计算方法

提出了一种计算延迟混沌系统沿主轴方向上Lyapunov指数的方法：矩阵迭代法.给出了其计算方法的原理及推导过程;同时推导了一类泰勒展开法,介绍了已有的Wolf替代法计算延迟混沌系统的Lyapunov指数.分析了三种不同计算方法的优缺点,最后进行了数值模拟,验证方法的有效性. 关键词： Lyapunov指数 延迟混沌系统 矩阵迭代法 泰勒展开法     

On the three-term approximation of the solution of the Boltzmann equation for weakly ionized gases

In this paper we discuss an improvement of the current technique of solution of the Boltzmann equation for weakly ionized gases in an electric field. The method is based on the usual expansion of the velocity distribution in spherical harmonics, but three terms of the expansion are retained instead of two. In the light of the results obtained for a particular interaction law between charged and neutral particles, a procedure is established which is consistent in the orders of approximation. This procedure requires an improvement of the degree of accuracy commonly used for the terms deriving from the Boltzmann collision operator. For this reason, the general expression of the isotropic collision operator correct to second order in the ion-neutral mass ratio is calculated. Finally, a new steady-state solution of the Boltzmann equation is obtained which is valid both for electrons and light ions in heavy gases.     

The Boltzmann equation from quantum field theory

We show from first principles the emergence of classical Boltzmann equations from relativistic nonequilibrium quantum field theory as described by the Kadanoff–Baym equations. Our method applies to a generic quantum field, coupled to a collection of background fields and sources, in a homogeneous and isotropic spacetime. The analysis is based on analytical solutions to the full Kadanoff–Baym equations, using the WKB approximation. This is in contrast to previous derivations of kinetic equations that rely on similar physical assumptions, but obtain approximate equations of motion from a gradient expansion in momentum space. We show that the system follows a generalized Boltzmann equation whenever the WKB approximation holds. The generalized Boltzmann equation, which includes off-shell transport, is valid far from equilibrium and in a time dependent background, such as the expanding universe.     

Long-Time-Tail Effects on Lyapunov Exponents of a Random, Two-Dimensional Field-Driven Lorentz Gas

We study the Lyapunov exponents for a moving, charged particle in a two-dimensional Lorentz gas with randomly placed, nonoverlapping hard-disk scatterers in a thermostatted electric field, . The low-density values of the Lyapunov exponents have been calculated with the use of an extended Lorentz–Boltzmann equation. In this paper we develop a method to extend theses results to higher density, using the BBGKY hierarchy equations and extending them to include the additional variables needed for calculation of the Lyapunov exponents. We then consider the effects of correlated collision sequences, due to the so-called ring events, on the Lyapunov exponents. For small values of the applied electric field, the ring terms lead to nonanalytic, field-dependent contributions to both the positive and negative Lyapunov exponents which are of the form ~ ²ln~, where ~ is a dimensionless parameter proportional to the strength of the applied field. We show that these nonanalytic terms can be understood as resulting from the change in the collision frequency from its equilibrium value due to the presence of the thermostatted field, and that the collision frequency also contains such nonanalytic terms.