The Kolmogorov-Sinai Entropy for Dilute Gases in Equilibrium

We use the kinetic theory of gases to compute the Kolmogorov-Sinai entropy per particle for a dilute gas in equilibrium. For an equilibrium system, the KS entropy, h_KS is the sum of all of the positive Lyapunov exponents characterizing the chaotic behavior of the gas. We compute h_KS/N, where N is the number of particles in the gas. This quantity has a density expansion of the form h_KS/N = a\nu[-\ln{\tilde{n}} + b + O(\tilde{n})], where \nu is the single-particle collision frequency and \tilde{n} is the reduced number density of the gas. The theoretical values for the coefficients a and b are compared with the results of computer simulations, with excellent agreement for a, and less than satisfactory agreement for b. Possible reasons for this difference in b are discussed.Comment: 15 pages, 2 figures, submitted to Phys. Rev.

Comment on `Universal relation between the Kolmogorov-Sinai entropy and the thermodynamic entropy in simple liquids'

The intriguing relations between Kolmogorov-Sinai entropy and self diffusion coefficients and the excess (thermodynamic) entropy found by Dzugutov and collaborators do not appear to hold for hard sphere and hard disks systems.Comment: 1 page revte

Time-reversal focusing of an expanding soliton gas in disordered replicas

We investigate the properties of time reversibility of a soliton gas, originating from a dispersive regularization of a shock wave, as it propagates in a strongly disordered environment. An original approach combining information measures and spin glass theory shows that time reversal focusing occurs for different replicas of the disorder in forward and backward propagation, provided the disorder varies on a length scale much shorter than the width of the soliton constituents. The analysis is performed by starting from a new class of reflectionless potentials, which describe the most general form of an expanding soliton gas of the defocusing nonlinear Schroedinger equation.Comment: 7 Pages, 6 Figure

Comment on ``Lyapunov Exponent of a Many Body System and Its Transport Coefficients''

In a recent Letter, Barnett, Tajima, Nishihara, Ueshima and Furukawa obtained a theoretical expression for the maximum Lyapunov exponent $\lambda_1$ of a dilute gas. They conclude that $\lambda_1$ is proportional to the cube root of the self-diffusion coefficient $D$, independent of the range of the interaction potential. They validate their conjecture with numerical data for a dense one-component plasma, a system with long-range forces. We claim that their result is highly non-generic. We show in the following that it does not apply to a gas of hard spheres, neither in the dilute nor in the dense phase.Comment: 1 page, Revtex - 1 PS Figs - Submitted to Physical Review Letter

Lyapunov Exponents from Kinetic Theory for a Dilute, Field-driven Lorentz Gas

Positive and negative Lyapunov exponents for a dilute, random, two-dimensional Lorentz gas in an applied field, $\vec{E}$, in a steady state at constant energy are computed to order $E^{2}$. The results are: $\lambda_{\pm}=\lambda_{\pm}^{0}-a_{\pm}(qE/mv)^{2}t_{0}$ where $\lambda_{\pm}^{0}$ are the exponents for the field-free Lorentz gas, $a_{+}=11/48, a_{-}=7/48$, $t_{0}$ is the mean free time between collisions, $q$ is the charge, $m$ the mass and $v$ is the speed of the particle. The calculation is based on an extended Boltzmann equation in which a radius of curvature, characterizing the separation of two nearby trajectories, is one of the variables in the distribution function. The analytical results are in excellent agreement with computer simulations. These simulations provide additional evidence for logarithmic terms in the density expansion of the diffusion coefficient.Comment: 7 pages, revtex, 3 postscript figure

Self-assembly of DNA-functionalized colloids

Colloidal particles grafted with single-stranded DNA (ssDNA) chains can self-assemble into a number of different crystalline structures, where hybridization of the ssDNA chains creates links between colloids stabilizing their structure. Depending on the geometry and the size of the particles, the grafting density of the ssDNA chains, and the length and choice of DNA sequences, a number of different crystalline structures can be fabricated. However, understanding how these factors contribute synergistically to the self-assembly process of DNA-functionalized nano- or micro-sized particles remains an intensive field of research. Moreover, the fabrication of long-range structures due to kinetic bottlenecks in the self-assembly are additional challenges. Here, we discuss the most recent advances from theory and experiment with particular focus put on recent simulation studies

Largest Lyapunov Exponent for Many Particle Systems at Low Densities

The largest Lyapunov exponent $\lambda^+$ for a dilute gas with short range interactions in equilibrium is studied by a mapping to a clock model, in which every particle carries a watch, with a discrete time that is advanced at collisions. This model has a propagating front solution with a speed that determines $\lambda^+$, for which we find a density dependence as predicted by Krylov, but with a larger prefactor. Simulations for the clock model and for hard sphere and hard disk systems confirm these results and are in excellent mutual agreement. They show a slow convergence of $\lambda^+$ with increasing particle number, in good agreement with a prediction by Brunet and Derrida.Comment: 4 pages, RevTeX, 2 Figures (encapsulated postscript). Submitted to Phys. Rev. Let

Lyapunov instability of fluids composed of rigid diatomic molecules

We study the Lyapunov instability of a two-dimensional fluid composed of rigid diatomic molecules, with two interaction sites each, and interacting with a WCA site-site potential. We compute full spectra of Lyapunov exponents for such a molecular system. These exponents characterize the rate at which neighboring trajectories diverge or converge exponentially in phase space. Quam. These exponents characterize the rate at which neighboring trajectories diverge or converge exponentially in phase space. Qualitative different degrees of freedom -- such as rotation and translation -- affect the Lyapunov spectrum differently. We study this phenomenon by systematically varying the molecular shape and the density. We define and evaluate ``rotation numbers'' measuring the time averaged modulus of the angular velocities for vectors connecting perturbed satellite trajectories with an unperturbed reference trajectory in phase space. For reasons of comparison, various time correlation functions for translation and rotation are computed. The relative dynamics of perturbed trajectories is also studied in certain subspaces of the phase space associated with center-of-mass and orientational molecular motion.Comment: RevTeX 14 pages, 7 PostScript figures. Accepted for publication in Phys. Rev.

Hamiltonian dynamics and geometry of phase transitions in classical XY models

The Hamiltonian dynamics associated to classical, planar, Heisenberg XY models is investigated for two- and three-dimensional lattices. Besides the conventional signatures of phase transitions, here obtained through time averages of thermodynamical observables in place of ensemble averages, qualitatively new information is derived from the temperature dependence of Lyapunov exponents. A Riemannian geometrization of newtonian dynamics suggests to consider other observables of geometric meaning tightly related with the largest Lyapunov exponent. The numerical computation of these observables - unusual in the study of phase transitions - sheds a new light on the microscopic dynamical counterpart of thermodynamics also pointing to the existence of some major change in the geometry of the mechanical manifolds at the thermodynamical transition. Through the microcanonical definition of the entropy, a relationship between thermodynamics and the extrinsic geometry of the constant energy surfaces $\Sigma_E$ of phase space can be naturally established. In this framework, an approximate formula is worked out, determining a highly non-trivial relationship between temperature and topology of the $\Sigma_E$. Whence it can be understood that the appearance of a phase transition must be tightly related to a suitable major topology change of the $\Sigma_E$. This contributes to the understanding of the origin of phase transitions in the microcanonical ensemble.Comment: in press on Physical Review E, 43 pages, LaTeX (uses revtex), 22 PostScript figure

Localized behavior in the Lyapunov vectors for quasi-one-dimensional many-hard-disk systems

We introduce a definition of a "localization width" whose logarithm is given by the entropy of the distribution of particle component amplitudes in the Lyapunov vector. Different types of localization widths are observed, for example, a minimum localization width where the components of only two particles are dominant. We can distinguish a delocalization associated with a random distribution of particle contributions, a delocalization associated with a uniform distribution and a delocalization associated with a wave-like structure in the Lyapunov vector. Using the localization width we show that in quasi-one-dimensional systems of many hard disks there are two kinds of dependence of the localization width on the Lyapunov exponent index for the larger exponents: one is exponential, and the other is linear. Differences, due to these kinds of localizations also appear in the shapes of the localized peaks of the Lyapunov vectors, the Lyapunov spectra and the angle between the spatial and momentum parts of the Lyapunov vectors. We show that the Krylov relation for the largest Lyapunov exponent $\lambda\sim-\rho\ln\rho$ as a function of the density $\rho$ is satisfied (apart from a factor) in the same density region as the linear dependence of the localization widths is observed. It is also shown that there are asymmetries in the spatial and momentum parts of the Lyapunov vectors, as well as in their $x$ and $y$-components.Comment: 41 pages, 21 figures, Manuscript including the figures of better quality is available from http://www.phys.unsw.edu.au/~gary/Research.htm