Details
| Original language | English |
|---|---|
| Pages (from-to) | 240-247 |
| Number of pages | 8 |
| Journal | Thin Solid Films |
| Volume | 592 |
| Issue number | Part B |
| Publication status | Published - 12 Apr 2015 |
Abstract
Simulation of the coating process is a very promising approach for the understanding of thin film formation. Nevertheless, this complex matter cannot be covered by a single simulation technique. To consider all mechanisms and processes influencing the optical properties of the growing thin films, various common theoretical methods have been combined to a multi-scale model approach. The simulation techniques have been selected in order to describe all processes in the coating chamber, especially the various mechanisms of thin film growth, and to enable the analysis of the resulting structural as well as optical and electronic layer properties. All methods are merged with adapted communication interfaces to achieve optimum compatibility of the different approaches and to generate physically meaningful results. The present contribution offers an approach for the full simulation of an Ion Beam Sputtering (IBS) coating process combining direct simulation Monte Carlo, classical molecular dynamics, kinetic Monte Carlo, and density functional theory. The simulation is performed exemplary for an existing IBS-coating plant to achieve a validation of the developed multi-scale approach. Finally, the modeled results are compared to experimental data.
Keywords
- Density functional theory, Direct simulation Monte Carlo, Ion beam sputtering, Kinetic Monte Carlo, Molecular dynamics, Multiple scale modeling, Thin films
ASJC Scopus subject areas
- Materials Science(all)
- Electronic, Optical and Magnetic Materials
- Physics and Astronomy(all)
- Surfaces and Interfaces
- Materials Science(all)
- Surfaces, Coatings and Films
- Materials Science(all)
- Metals and Alloys
- Materials Science(all)
- Materials Chemistry
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In: Thin Solid Films, Vol. 592, No. Part B, 12.04.2015, p. 240-247.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Practice-oriented optical thin film growth simulation via multiple scale approach
AU - Turowski, Marcus
AU - Jupé, Marco
AU - Melzig, Thomas
AU - Moskovkin, Pavel
AU - Daniel, Alain
AU - Pflug, Andreas
AU - Lucas, Stéphane
AU - Ristau, Detlev
N1 - Funding information: The authors are grateful to the European Commission for the financial support of the CORNET ERA-NET project CAPRICe (Computer Aided Process Refinement for Intelligent Coatings) under contract number IGF 101 EN . In addition, the authors thank the German Federal Ministry of Education and Research (BMBF) for the financial support of the research project PluTO (contract no. 13IN10460 ) and PluTO + (contract no. 13N13215 ).
PY - 2015/4/12
Y1 - 2015/4/12
N2 - Simulation of the coating process is a very promising approach for the understanding of thin film formation. Nevertheless, this complex matter cannot be covered by a single simulation technique. To consider all mechanisms and processes influencing the optical properties of the growing thin films, various common theoretical methods have been combined to a multi-scale model approach. The simulation techniques have been selected in order to describe all processes in the coating chamber, especially the various mechanisms of thin film growth, and to enable the analysis of the resulting structural as well as optical and electronic layer properties. All methods are merged with adapted communication interfaces to achieve optimum compatibility of the different approaches and to generate physically meaningful results. The present contribution offers an approach for the full simulation of an Ion Beam Sputtering (IBS) coating process combining direct simulation Monte Carlo, classical molecular dynamics, kinetic Monte Carlo, and density functional theory. The simulation is performed exemplary for an existing IBS-coating plant to achieve a validation of the developed multi-scale approach. Finally, the modeled results are compared to experimental data.
AB - Simulation of the coating process is a very promising approach for the understanding of thin film formation. Nevertheless, this complex matter cannot be covered by a single simulation technique. To consider all mechanisms and processes influencing the optical properties of the growing thin films, various common theoretical methods have been combined to a multi-scale model approach. The simulation techniques have been selected in order to describe all processes in the coating chamber, especially the various mechanisms of thin film growth, and to enable the analysis of the resulting structural as well as optical and electronic layer properties. All methods are merged with adapted communication interfaces to achieve optimum compatibility of the different approaches and to generate physically meaningful results. The present contribution offers an approach for the full simulation of an Ion Beam Sputtering (IBS) coating process combining direct simulation Monte Carlo, classical molecular dynamics, kinetic Monte Carlo, and density functional theory. The simulation is performed exemplary for an existing IBS-coating plant to achieve a validation of the developed multi-scale approach. Finally, the modeled results are compared to experimental data.
KW - Density functional theory
KW - Direct simulation Monte Carlo
KW - Ion beam sputtering
KW - Kinetic Monte Carlo
KW - Molecular dynamics
KW - Multiple scale modeling
KW - Thin films
UR - http://www.scopus.com/inward/record.url?scp=84944274389&partnerID=8YFLogxK
U2 - 10.1016/j.tsf.2015.04.015
DO - 10.1016/j.tsf.2015.04.015
M3 - Article
AN - SCOPUS:84944274389
VL - 592
SP - 240
EP - 247
JO - Thin Solid Films
JF - Thin Solid Films
SN - 0040-6090
IS - Part B
ER -