LEADER 03191nam 2200553Ia 450 001 9910133760803321 005 20200520144314.0 010 $a3-642-29488-X 024 7 $a10.1007/978-3-642-29488-4 035 $a(CKB)3360000000369960 035 $a(SSID)ssj0000697530 035 $a(PQKBManifestationID)11415416 035 $a(PQKBTitleCode)TC0000697530 035 $a(PQKBWorkID)10691416 035 $a(PQKB)10586618 035 $a(DE-He213)978-3-642-29488-4 035 $a(MiAaPQ)EBC3070492 035 $a(PPN)168314665 035 $a(EXLCZ)993360000000369960 100 $a20120618d2012 uy 0 101 0 $aeng 135 $aurnn|008mamaa 181 $ctxt 182 $cc 183 $acr 200 13$aAn introduction to kinetic Monte Carlo simulations of surface reactions /$fA.P.J. Jansen 205 $a1st ed. 2012. 210 $aBerlin ;$aHeidelberg $cSpringer$dc2012 215 $a1 online resource (XVII, 254 p. 79 illus.) 225 1 $aLecture notes in physics,$x0075-8450 ;$vv. 856 300 $aBibliographic Level Mode of Issuance: Monograph 311 $a3-642-29487-1 320 $aIncludes bibliographical references and index. 327 $aIntroduction -- 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. 330 $aKinetic Monte Carlo (kMC) simulations still represent a quite new area of research, with a rapidly growing number of publications. Broadly speaking, kMC can be applied to any system describable as a set of minima of a potential-energy surface, the evolution of which will then be regarded as hops from one minimum to a neighboring one. The hops in kMC are modeled as stochastic processes and the algorithms use random numbers to determine at which times the hops occur and to which neighboring minimum they go. Sometimes this approach is also called dynamic MC or Stochastic Simulation Algorithm, in particular when it is applied to solving macroscopic rate equations.      This book has two objectives. First, it is a primer on the kMC method (predominantly using the lattice-gas model) and thus much of the book will also be useful for applications other than to surface reactions. Second, it is intended to teach the reader what can be learned from kMC simulations of surface reaction kinetics.   With these goals in mind, the present text is conceived as a self-contained introduction for students and non-specialist researchers alike who are interested in entering the field and learning about the topic from scratch. 410 0$aLecture notes in physics ;$v856. 606 $aMonte Carlo method 606 $aNumerical analysis 615 0$aMonte Carlo method. 615 0$aNumerical analysis. 676 $a518.282 700 $aJansen$b A. P. J$01758370 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910133760803321 996 $aAn introduction to kinetic Monte Carlo simulations of surface reactions$94196565 997 $aUNINA