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020 _a9783642294884
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024 7 _a10.1007/978-3-642-29488-4
_2doi
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050 4 _aQC611.6.S9
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082 0 4 _a530.417
_223
100 1 _aJansen, A.P.J.
_eauthor.
_4aut
_4http://id.loc.gov/vocabulary/relators/aut
245 1 3 _aAn Introduction to Kinetic Monte Carlo Simulations of Surface Reactions
_h[electronic resource] /
_cby A.P.J. Jansen.
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 _aSurfaces (Physics).
650 0 _aChemistry.
650 1 4 _aSurface and Interface Science, Thin Films.
_0http://scigraph.springernature.com/things/product-market-codes/P25160
650 2 4 _aSurfaces and Interfaces, Thin Films.
_0http://scigraph.springernature.com/things/product-market-codes/Z19000
650 2 4 _aTheoretical and Computational Chemistry.
_0http://scigraph.springernature.com/things/product-market-codes/C25007
650 2 4 _aNumerical and Computational Physics, Simulation.
_0http://scigraph.springernature.com/things/product-market-codes/P19021
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9783642294891
776 0 8 _iPrinted edition:
_z9783642294877
830 0 _aLecture Notes in Physics,
_x0075-8450 ;
_v856
856 4 0 _uhttps://doi.org/10.1007/978-3-642-29488-4
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912 _aZDB-2-LNP
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