Computer Simulations of Surfaces and Interfaces [Hardcover]

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.

Classical Statistical Mechanics.- to Monte Carlo Methods.- An Introduction to Molecular Dynamics Simulation.- Langevin Methods.- Statistical Ensembles for Monte Carlo Simulation.- First-Order Phase Transitions.- Histograms and All That.- Computer Simulation of Continuous Phase Transitions.- Simulations with Hydrodynamic Interactions.- Accelerated Algorithms 1: Lattice Models.- Accelerated Algorithms 2.- MCAMC: An Advanced Algorithm for Kinetic Monte Carlo Simulations from Magnetization Switching to Protein Folding.- Theory of Wetting and Surface Critical Phenomena.- Simulations of Phase Transitions in Confined Geometry.- Finite Size Effects in Thin Film Simulations.- Surface Growth.- Influence of Confining Walls on the Dynamics of Supercooled Simple Liquids.- Superstructure Formation.- Polymers at Surfaces and Interfaces.- Driven Diffusive Systems: A Tutorial and Recent Developments.