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An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions
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 fro...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Autor Corporativo: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Imprint: Springer,
2012.
|
| Edición: | 1st ed. 2012. |
| Colección: | Lecture Notes in Physics,
856 |
| Temas: | |
| Acceso en línea: | Texto Completo |
MARC
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| 001 | 978-3-642-29488-4 | ||
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| 100 | 1 | |a Jansen, A.P.J. |e author. |4 aut |4 http://id.loc.gov/vocabulary/relators/aut | |
| 245 | 1 | 3 | |a An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions |h [electronic resource] / |c by A.P.J. Jansen. |
| 250 | |a 1st ed. 2012. | ||
| 264 | 1 | |a Berlin, Heidelberg : |b Springer Berlin Heidelberg : |b Imprint: Springer, |c 2012. | |
| 300 | |a XVII, 254 p. 79 illus. |b online resource. | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
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| 490 | 1 | |a Lecture Notes in Physics, |x 1616-6361 ; |v 856 | |
| 505 | 0 | |a 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. | |
| 520 | |a 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. | ||
| 650 | 0 | |a Surfaces (Physics). | |
| 650 | 0 | |a Surfaces (Technology). | |
| 650 | 0 | |a Thin films. | |
| 650 | 0 | |a Chemistry, Physical and theoretical. | |
| 650 | 0 | |a Mathematical physics. | |
| 650 | 1 | 4 | |a Surface and Interface and Thin Film. |
| 650 | 2 | 4 | |a Surfaces, Interfaces and Thin Film. |
| 650 | 2 | 4 | |a Theoretical Chemistry. |
| 650 | 2 | 4 | |a Theoretical, Mathematical and Computational Physics. |
| 710 | 2 | |a SpringerLink (Online service) | |
| 773 | 0 | |t Springer Nature eBook | |
| 776 | 0 | 8 | |i Printed edition: |z 9783642294891 |
| 776 | 0 | 8 | |i Printed edition: |z 9783642294877 |
| 830 | 0 | |a Lecture Notes in Physics, |x 1616-6361 ; |v 856 | |
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| 950 | |a Physics and Astronomy (SpringerNature-11651) | ||
| 950 | |a Physics and Astronomy (R0) (SpringerNature-43715) | ||