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An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions (Paperback, 2012 ed.)
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An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions (Paperback, 2012 ed.)
Series: Lecture Notes in Physics, 856
Expected to ship within 10 - 15 working days
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Kinetic Monte Carlo (kMC) simulations still represent a quite new
area of research, with a rapidly growing number of publications.
Broadly speaking, kMC can be applied to any system describable as a
set of minima of a potential-energy surface, the evolution of which
will then be regarded as hops from one minimum to a neighboring
one. The hops in kMC are modeled as stochastic processes and the
algorithms use random numbers to determine at which times the hops
occur and to which neighboring minimum they go. Sometimes this
approach is also called dynamic MC or Stochastic Simulation
Algorithm, in particular when it is applied to solving macroscopic
rate equations. This book has two objectives. First, it is a primer
on the kMC method (predominantly using the lattice-gas model) and
thus much of the book will also be useful for applications other
than to surface reactions. Second, it is intended to teach the
reader what can be learned from kMC simulations of surface reaction
kinetics. With these goals in mind, the present text is conceived
as a self-contained introduction for students and non-specialist
researchers alike who are interested in entering the field and
learning about the topic from scratch.
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