Computer simulations of surfaces and interfaces : proceedings of the NATO Advanced Study Institute on Computer Simulations of Surfaces and Interfaces, Albena, Bulgaria, 9-20 September 2002

Studies of surfaces and interactions between dissimilar materials or phases are vital for modern technological applications. Computer simulation methods are indispensable in such studies and this book contains a substantial body of knowledge about simulation methods as well as the theoretical background for performing computer experiments and analyzing the data. The book is self-contained, covering a range of topics from classical statistical mechanics to a variety of simulation techniques, including molecular dynamics, Langevin dynamics and Monte Carlo methods. A number of physical systems are considered, including fluids, magnets, polymers, granular media, and driven diffusive systems. The computer simulation methods considered include both standard and accelerated versions. The simulation methods are clearly related to the fundamental principles of thermodynamics and statistical mechanics. Front Matter....Pages i-xix Classical Statistical Mechanics....Pages 3-35 Introduction to Monte Carlo Methods....Pages 39-55 An Introduction to Molecular Dynamics Simulation....Pages 59-73 Langevin Methods....Pages 77-92 Statistical Ensembles for Monte Carlo Simulation....Pages 95-108 First-Order Phase Transitions....Pages 111-135 Histograms and All That....Pages 137-157 Computer Simulation of Continuous Phase Transitions....Pages 161-171 Simulations with Hydro Dynamic Interactions....Pages 175-188 Accelerated Algorithms 1: Lattice Models....Pages 191-206 Accelerated Algorithms 2....Pages 209-222 Mcamc: An Advanced Algorithm for Kinetic Monte Carlo Simulations from Magnetization Switching to Protein Folding....Pages 225-235 Theory of Wetting and Surface Critical Phenomena....Pages 239-258 Simulations of Phase Transitions in Confined Geometry....Pages 261-271 Finite Size Effects in Thin Film Simulations....Pages 275-286 Surface Growth....Pages 289-294 Influence of Confining Walls on the Dynamics of Supercooled Simple Liquids....Pages 297-312 Superstructure Formation....Pages 315-326 Polymers at Surfaces and Interfaces....Pages 329-419 Driven Diffusive Systems: a Tutorial and Recent Developments....Pages 423-447 Back Matter....Pages 449-451