Computer Simulations of Surfaces and Interfaces

by Dunweg, Burkhard; Landau, David P.; Milchev, Andrey I.

• ISBN13: 9781402014635
• ISBN10: 1402014635
• Format: Hardcover
• Copyright: 2004-02-01
• Publisher: Kluwer Academic Pub

Summary

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.

Table of Contents

Preface	v
List of Participants	ix
Classical Statistical Mechanics	3	(36)
K. Binder
Introduction to Monte Carlo Methods	39	(20)
A. Milchev
An Introduction to Molecular Dynamics Simulation	59	(18)
D. C. Rapaport
Langevin Methods	77	(18)
B. Dunweg
Statistical Ensembles for Monte Carlo Simulation	95	(16)
N. B. Wilding
First-Order Phase Transitions	111	(26)
W. Janke
Histograms and All That	137	(24)
W. Janke
Computer Simulation of Continuous Phase Transitions	161	(14)
N. B. Wilding
Simulations with Hydrodynamic Interactions	175	(16)
A. J. C. Ladd
Accelerated Algorithms 1: Lattice Models	191	(18)
D. P. Landau
Accelerated Algorithms 2	209	(16)
B. Dunweg
MCAMC: An Advanced Algorithm for Kinetic Monte Carlo Simulations from Magnetization Switching to Protein Folding	225	(14)
M. A. Novotny
S. M. Wheeler
Theory of Wetting and Surface Critical Phenomena	239	(22)
M. M. Telo da Gama
Simulations of Phase Transitions in Confined Geometry	261	(14)
D. P. Landau
Finite Size Effects in Thin Film Simulations	275	(14)
K. Binder
Surface Growth	289	(8)
J. Kertesz
Influence of Confining Walls on the Dynamics of Supercooled Simple Liquids	297	(18)
P. Scheidler
W. Kob
K. Binder
Superstructure Formation	315	(14)
A. Patrykiejew
Polymers at Surfaces and Interfaces	329	(94)
D. N. Theodorou
Driven Diffusive Systems: A Tutorial and Recent Developments	423	(26)
R. K. P. Zia
Index	449