This volume contains the proceedings of a NATO Advanced Study Institute which was held in Alghero, Sardinia, in July 1991. The development of computers in the recent years has lead to the emergence of unconventional ideas aiming at solving old problems. Among these, the possibility of computing directly fluid flows from the trajectories of constituent particles has been much exploited in the last few years: lattice gases cellular automata and more generally Molecular Dynamics have been used to reproduce and study complex flows. Whether or not these methods may someday compete with more traditional approaches is a question which cannot be answered at the present time: it will depend on the new computer architectures as well as on the possibility to develop very simple models to reproduce the most complex phenomena taking place in the approach of fully developed turbulence or plastic flows. In any event, these molecular methods are already used, and sometimes in an applied engineering context, to study strong shock waves, chemistry induced shocks or motion of dislocations in plastic flows, that is in domains where a fully continuum description appears insufficient. The main topic of our Institute was the molecular simulations of fluid flows. The project to hold this Institute was made three years ago, in the summer of 1989 during a NATO workshop in Brussels on the same subject.

Klappentext

Proceedings of a NATO ASI held in Alghero, Sardinia, July 15-27, 1991

Zusammenfassung
Among these, the possibility of computing directly fluid flows from the trajectories of constituent particles has been much exploited in the last few years: lattice gases cellular automata and more generally Molecular Dynamics have been used to reproduce and study complex flows.

Inhalt
I. Introduction.- From Fluid Particles to Physical Particles: Computing Hydrodynamics.- From Global, à la Kolmogorov 1941, Scaling to Local Multifractal Scaling in Fully Developed Turbulence.- II. Non-Equilibrium Molecular Dynamics.- Theoretical Foundation and Rheological Application of Non-equilibrium Molecular Dynamics.- Nonequilibrium Molecular Dynamics at Livermore and Los Alamos.- Shock Waves and Spallation by Molecular Dynamics.- Molecular Dynamic Study of Density Fluctuation in a Non-Equilibrium System.- Temporal Periodicity in Microscopic Simulation of Rayleigh-Bénard Convection.- NEMD Simulations and the Rheology of Liquid Hydrocarbons.- Molecular Dynamics Simulations of Shock-Induced Chemistry: Application to Chemically Sustained Shock Waves.- III. Lattice Gases.- Lattice Boltzmann Simulation of High Reynolds Number Fluid Flow in Two Dimensions.- New Types of Diffusion in Lattice Gas Cellular Automata.- Statistical Mechanics and Kinetic Theory of Lattice Gas Cellular Automata.- A Mean Field Theory for Biased Lattice Gas Models.- Fluid Dynamical Limits of Discrete Kinetic Theories.- The Lattice Boltzmann Equation: Theory and Application.- Study of Diffusion in Lattice-Gas Fluids and Colloids.- Simple Models of Complex Fluids.- IV. Other Simulation Methods.- A Contemporary Implementation of the Direct Simulation Monte Carlo Method.- Brownian and Stokesian Dynamics.- Round Table Discussions (I): Issues in Hydrodynamic Simulations.- V. Chaos, Turbulence and Irreversibility.- Lyapunov Exponents and Bulk Transport Coefficients.- Dynamical Chaos Underlying Diffusion in the Lorentz Gas.- Generalized Gaussian Dynamics, Phase-Space Reduction and Irreversibility: A Comment.- Round Table Discussions (II): Irreversibility and Lyapunov Spectra.- VI. Related Topics.-Statistical Fracture Mechanics.- Computational Statistical Mechanics of Tethered Membranes.- Granular Flow at Low Shear Rates.- Three-Dimensional Simulations of Plastic Flow in Crystals.- VII. Recollections.- Concluding Remarks: The Long-Time Tails Story.- Participants.