A pseudo-spectral approach to inverse problems in interface dynamics

An improved scheme for computing coupling parameters of the Kardar-Parisi-Zhang equation from a collection of successive interface profiles, is presented. The approach hinges on a spectral representation of this equation. An appropriate discretization based on a Fourier representation, is discussed as a by-product of the above scheme. Our method is first tested on profiles generated by a one-dimensional Kardar-Parisi-Zhang equation where it is shown to reproduce the input parameters very accurately. When applied to microscopic models of growth, it provides the values of the coupling parameters associated with the corresponding continuum equations. This technique favorably compares with previous methods based on real space schemes.Comment: 12 pages, 9 figures, revtex 3.0 with epsf style, to appear in Phys. Rev.

Measuring non-extensitivity parameters in a turbulent Couette-Taylor flow

We investigate probability density functions of velocity differences at different distances r measured in a Couette-Taylor flow for a range of Reynolds numbers Re. There is good agreement with the predictions of a theoretical model based on non-extensive statistical mechanics (where the entropies are non-additive for independent subsystems). We extract the scale-dependent non-extensitivity parameter q(r, Re) from the laboratory data.Comment: 8 pages, 5 figure

The TeraGyroid Experiment

The TeraGyroid experiment at SC 03 addressed a large-scale problem of genuine scientific interest at the same time as showing how intercontinental grids enable new paradigms for collaborative computational science that can dramatically reduce the time to insight. TeraGyroid used computational steering to accelerate the exploration of parameter space in condensed matter simulations. The scientific objective was to study the self-assembly, defect pathways and dynamics of liquid crystalline cubic gyroid mesophases using the largest set of lattice-Boltzmann (LB) simulations ever performed, involving in some cases lattices of over one billion sites and for highly extended simulation times. We describe the application in sufficient detail to reveal how it uses the grid to support interactions between its distributed parts, where the interfaces exist between the application and the middleware infrastructure, what grid services and capabilities are used, and why important design decisions were made. We also describe how the resources of highend computing services were federated with the UK e-Science Grid and the US TeraGrid to form the TeraGyroid testbed, and summarise the lessons learned during the experiment

A pseudo-spectral method for the Kardar-Parisi-Zhang equation

We discuss a numerical scheme to solve the continuum Kardar-Parisi-Zhang equation in generic spatial dimensions. It is based on a momentum-space discretization of the continuum equation and on a pseudo-spectral approximation of the non-linear term. The method is tested in (1+1)- and (2+1)- dimensions, where it is shown to reproduce the current most reliable estimates of the critical exponents based on Restricted Solid-on-Solid simulations. In particular it allows the computations of various correlation and structure functions with high degree of numerical accuracy. Some deficiencies which are common to all previously used finite-difference schemes are pointed out and the usefulness of the present approach in this respect is discussed.Comment: 12 pages, 13 .eps figures, revetx4. A few equations have been corrected. Erratum sent to Phys. Rev.

Foundations of Dissipative Particle Dynamics

We derive a mesoscopic modeling and simulation technique that is very close to the technique known as dissipative particle dynamics. The model is derived from molecular dynamics by means of a systematic coarse-graining procedure. Thus the rules governing our new form of dissipative particle dynamics reflect the underlying molecular dynamics; in particular all the underlying conservation laws carry over from the microscopic to the mesoscopic descriptions. Whereas previously the dissipative particles were spheres of fixed size and mass, now they are defined as cells on a Voronoi lattice with variable masses and sizes. This Voronoi lattice arises naturally from the coarse-graining procedure which may be applied iteratively and thus represents a form of renormalisation-group mapping. It enables us to select any desired local scale for the mesoscopic description of a given problem. Indeed, the method may be used to deal with situations in which several different length scales are simultaneously present. Simulations carried out with the present scheme show good agreement with theoretical predictions for the equilibrium behavior.Comment: 18 pages, 7 figure

Anomalous diffusion with absorption: Exact time-dependent solutions

Recently, analytical solutions of a nonlinear Fokker-Planck equation describing anomalous diffusion with an external linear force were found using a non extensive thermostatistical Ansatz. We have extended these solutions to the case when an homogeneous absorption process is also present. Some peculiar aspects of the interrelation between the deterministic force, the nonlinear diffusion and the absorption process are discussed.Comment: RevTex, 16 pgs, 4 figures. Accepted in Physical Review

Comment on "Critique of q-entropy for thermal statistics" by M. Nauenberg

It was recently published by M. Nauenberg [1] a quite long list of objections about the physical validity for thermal statistics of the theory sometimes referred to in the literature as {\it nonextensive statistical mechanics}. This generalization of Boltzmann-Gibbs (BG) statistical mechanics is based on the following expression for the entropy: S_q= k\frac{1- \sum_{i=1}^Wp_i^q}{q-1} (q \in {\cal R}; S_1=S_{BG} \equiv -k\sum_{i=1}^W p_i \ln p_i) . The author of [1] already presented orally the essence of his arguments in 1993 during a scientific meeting in Buenos Aires. I am replying now simultaneously to the just cited paper, as well as to the 1993 objections (essentially, the violation of "fundamental thermodynamic concepts", as stated in the Abstract of [1]).Comment: 7 pages including 2 figures. This is a reply to M. Nauenberg, Phys. Rev. E 67, 036114 (2003

On the Three-dimensional Central Moment Lattice Boltzmann Method

A three-dimensional (3D) lattice Boltzmann method based on central moments is derived. Two main elements are the local attractors in the collision term and the source terms representing the effect of external and/or self-consistent internal forces. For suitable choices of the orthogonal moment basis for the three-dimensional, twenty seven velocity (D3Q27), and, its subset, fifteen velocity (D3Q15) lattice models, attractors are expressed in terms of factorization of lower order moments as suggested in an earlier work; the corresponding source terms are specified to correctly influence lower order hydrodynamic fields, while avoiding aliasing effects for higher order moments. These are achieved by successively matching the corresponding continuous and discrete central moments at various orders, with the final expressions written in terms of raw moments via a transformation based on the binomial theorem. Furthermore, to alleviate the discrete effects with the source terms, they are treated to be temporally semi-implicit and second-order, with the implicitness subsequently removed by means of a transformation. As a result, the approach is frame-invariant by construction and its emergent dynamics describing fully 3D fluid motion in the presence of force fields is Galilean invariant. Numerical experiments for a set of benchmark problems demonstrate its accuracy.Comment: 55 pages, 8 figure

Generalized thermodynamics and Fokker-Planck equations. Applications to stellar dynamics, two-dimensional turbulence and Jupiter's great red spot

We introduce a new set of generalized Fokker-Planck equations that conserve energy and mass and increase a generalized entropy until a maximum entropy state is reached. The concept of generalized entropies is rigorously justified for continuous Hamiltonian systems undergoing violent relaxation. Tsallis entropies are just a special case of this generalized thermodynamics. Application of these results to stellar dynamics, vortex dynamics and Jupiter's great red spot are proposed. Our prime result is a novel relaxation equation that should offer an easily implementable parametrization of geophysical turbulence. This relaxation equation depends on a single key parameter related to the skewness of the fine-grained vorticity distribution. Usual parametrizations (including a single turbulent viscosity) correspond to the infinite temperature limit of our model. They forget a fundamental systematic drift that acts against diffusion as in Brownian theory. Our generalized Fokker-Planck equations may have applications in other fields of physics such as chemotaxis for bacterial populations. We propose the idea of a classification of generalized entropies in classes of equivalence and provide an aesthetic connexion between topics (vortices, stars, bacteries,...) which were previously disconnected.Comment: Submitted to Phys. Rev.

Classical Infinite-Range-Interaction Heisenberg Ferromagnetic Model: Metastability and Sensitivity to Initial Conditions

A N-sized inertial classical Heisenberg ferromagnet, which consists in a modification of the well-known standard model, where the spins are replaced by classical rotators, is studied in the limit of infinite-range interactions. The usual canonical-ensemble mean-field solution of the inertial classical $n$-vector ferromagnet (for which $n=3$ recovers the particular Heisenberg model considered herein) is briefly reviewed, showing the well-known second-order phase transition. This Heisenberg model is studied numerically within the microcanonical ensemble, through molecular dynamics.Comment: 18 pages text, and 7 EPS figure