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Molecular Dynamics Simulations for Plasma‐Surface Interactions
Author(s) -
Neyts Erik C.,
Brault Pascal
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.201600145
Subject(s) - plasma , molecular dynamics , excited state , current (fluid) , ion , electric field , electron , field (mathematics) , thermal , sputtering , chemical physics , physics , computational physics , atomic physics , materials science , nanotechnology , thin film , quantum mechanics , mathematics , meteorology , pure mathematics , thermodynamics
Plasma‐surface interactions are in general highly complex due to the interplay of many concurrent processes. Molecular dynamics simulations provide insight in some of these processes, subject to the accessible time and length scales, and the availability of suitable force fields. In this introductory tutorial‐style review, we aim to describe the current capabilities and limitations of molecular dynamics simulations in this field, restricting ourselves to low‐temperature non‐thermal plasmas. Attention is paid to the simulation of the various fundamental processes occurring, including sputtering, etching, implantation, and deposition, as well as to what extent the basic plasma components can be accounted for, including ground state and excited species, electric fields, ions, photons, and electrons. A number of examples is provided, giving an bird's eye overview of the current state of the field.