A Practical Guide to Kinetic Monte Carlo Simulations And Classical Molecular Dynamics Simulations: An Example Book pdf epub fb2

A Practical Guide to Kinetic Monte Carlo Simulations And Classical Molecular Dynamics Simulations: An Example Book by - pdf epub fb2

A Practical Guide to Kinetic Monte Carlo Simulations And Classical Molecular Dynamics Simulations: An Example Book Author: -
Title: A Practical Guide to Kinetic Monte Carlo Simulations And Classical Molecular Dynamics Simulations: An Example Book
ISBN: 1594545316
ISBN13: 978-1594545313
Other Formats: rtf doc txt azw
Pages: 194 pages
Publisher: Nova Science Pub Inc; UK ed. edition (April 30, 2006)
Language: English
Category: Science & Math
Size PDF version: 1285 kb
Size EPUB version: 1752 kb
Subcategory: Mathematics




The guidelines of this textbook are numerous example programs, flux diagrams, schemes, and figures presenting the obtained results. Step by step, the authors explain how steady state Monte Carlo Simulation (MCS) and time resolved, so-called kinetic or dynamic Monte Carlo Simulation (KMCS), schemes, respectively, can be set up. Furthermore, examples of classical Molecular Dynamics Simulations (MDS) are included. In addressing the same type of problem by way off all these methods, the different schemes can directly be compared. For the example programs, they have chosen problems related to the adsorption of gas-phase species on surfaces (i.e. mainly lattice models related to gas-surface adsorption dynamics). Furthermore, the growth of deposits on grid surfaces has been address including fractal growth phenomena.