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Deterministic and Monte Carlo methods for simulation of plasma‐surface interactions
Author(s) -
Marinov Daniil,
Teixeira Carlos,
Guerra Vasco
Publication year - 2017
Publication title -
plasma processes and polymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.644
H-Index - 74
eISSN - 1612-8869
pISSN - 1612-8850
DOI - 10.1002/ppap.201600175
Subject(s) - kinetic monte carlo , monte carlo method , statistical physics , plasma , bridging (networking) , surface (topology) , lattice (music) , detailed balance , materials science , physics , computer science , mathematics , quantum mechanics , computer network , statistics , geometry , acoustics
Two approaches to the modeling of surface kinetics in reactive plasmas are discussed. Coarse‐grained deterministic models incorporate rate balance equations for coverages of surface active sites. They are computationally effective and can be readily coupled to reactor‐scale plasma simulations. In the kinetic Monte Carlo (KMC) approach, the time evolution of a gas‐lattice system consisting of a large number of particles is described. Although being more demanding computationally, KMC algorithms are exact, allow a straightforward description of distributions of surface reactivity and help bridging the gap between simulations on atomic and macroscopic scales. In this paper, theoretical and practical aspects of deterministic and KMC modeling of plasma‐surface interactions are discussed taking O recombination on silica as a model system.