03191nam 2200553Ia 450 991013376080332120200520144314.03-642-29488-X10.1007/978-3-642-29488-4(CKB)3360000000369960(SSID)ssj0000697530(PQKBManifestationID)11415416(PQKBTitleCode)TC0000697530(PQKBWorkID)10691416(PQKB)10586618(DE-He213)978-3-642-29488-4(MiAaPQ)EBC3070492(PPN)168314665(EXLCZ)99336000000036996020120618d2012 uy 0engurnn|008mamaatxtccrAn introduction to kinetic Monte Carlo simulations of surface reactions /A.P.J. Jansen1st ed. 2012.Berlin ;Heidelberg Springerc20121 online resource (XVII, 254 p. 79 illus.) Lecture notes in physics,0075-8450 ;v. 856Bibliographic Level Mode of Issuance: Monograph3-642-29487-1 Includes bibliographical references and index.Introduction -- Stochastic Model for the Description of Surface Reaction Systems -- Kinetic Monte Carlo Algorithms -- How to Get Kinetic Parameters -- Modeling Surface Reactions I -- Modeling Surface Reactions II -- Examples -- New Developments -- Glossary -- Index.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.Lecture notes in physics ;856.Monte Carlo methodNumerical analysisMonte Carlo method.Numerical analysis.518.282Jansen A. P. J1758370MiAaPQMiAaPQMiAaPQBOOK9910133760803321An introduction to kinetic Monte Carlo simulations of surface reactions4196565UNINA