000 03339nam a22005295i 4500
001 978-3-642-29488-4
003 DE-He213
005 20160624101900.0
007 cr nn 008mamaa
008 120530s2012 gw | s |||| 0|eng d
020 _a9783642294884
_9978-3-642-29488-4
024 7 _a10.1007/978-3-642-29488-4
_2doi
050 4 _aQC176.8.S8
050 4 _aQC611.6.S9
050 4 _aQC176.84.S93
072 7 _aPHFC
_2bicssc
072 7 _aSCI077000
_2bisacsh
082 0 4 _a530.417
_223
100 1 _aJansen, A.P.J.
_eauthor.
245 1 3 _aAn Introduction to Kinetic Monte Carlo Simulations of Surface Reactions
_h[electronic resource] /
_cby A.P.J. Jansen.
260 1 _aBerlin, Heidelberg :
_bSpringer Berlin Heidelberg :
_bImprint: Springer,
_c2012.
264 1 _aBerlin, Heidelberg :
_bSpringer Berlin Heidelberg :
_bImprint: Springer,
_c2012.
300 _aXVII, 254 p. 79 illus.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aLecture Notes in Physics,
_x0075-8450 ;
_v856
505 0 _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.
520 _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.
650 0 _aPhysics.
650 0 _aChemistry.
650 0 _aSurfaces (Physics).
650 1 4 _aPhysics.
650 2 4 _aSurface and Interface Science, Thin Films.
650 2 4 _aSurfaces and Interfaces, Thin Films.
650 2 4 _aTheoretical and Computational Chemistry.
650 2 4 _aNumerical and Computational Physics.
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9783642294877
786 _dSpringer
830 0 _aLecture Notes in Physics,
_x0075-8450 ;
_v856
856 4 0 _uhttp://dx.doi.org/10.1007/978-3-642-29488-4
942 _2EBK2943
_cEBK
999 _c32237
_d32237