Stochastic modeling and predictive simulations for the microstructure of organic semiconductor films processed with different spin coating velocities

Westhoff, D., Van Franeker, J. J., Brereton, T., Kroese, D. P., Janssen, R. A. J. and Schmidt, V. (2015) Stochastic modeling and predictive simulations for the microstructure of organic semiconductor films processed with different spin coating velocities. Modelling and Simulation in Materials Science and Engineering, 23 4: 1-21. doi:10.1088/0965-0393/23/4/045003


Author Westhoff, D.
Van Franeker, J. J.
Brereton, T.
Kroese, D. P.
Janssen, R. A. J.
Schmidt, V.
Title Stochastic modeling and predictive simulations for the microstructure of organic semiconductor films processed with different spin coating velocities
Journal name Modelling and Simulation in Materials Science and Engineering   Check publisher's open access policy
ISSN 1361-651X
0965-0393
Publication date 2015-06-01
Sub-type Article (original research)
DOI 10.1088/0965-0393/23/4/045003
Open Access Status
Volume 23
Issue 4
Start page 1
End page 21
Total pages 21
Place of publication Bristol, United Kingdom
Publisher Institute of Physics Publishing
Collection year 2016
Language eng
Abstract A parametric stochastic model of the morphology of thin polymer:fullerene films is developed. This model uses a number of tools from stochastic geometry and spatial statistics. The fullerene-rich phase is represented by random closed sets and the polymer-rich phase is given by their complement. The model has three stages. First, a point pattern is used to model the locations of fullerene-rich domains. Second, domains are formed at these points. Third, the domains are rearranged to ensure a realistic configuration. The model is fitted to polymer:fullerene films produced using seven different spin coating velocities and validated using a variety of morphological characteristics. The model is then used to simulate morphologies corresponding to spin velocities for which no empirical data exists. The viability of this approach is demonstrated using cross-validation.
Keyword Organic thin-film morphologies
Phase separation
Predictive simulations
Spin coating
Stochastic microstructure modeling
Virtual materials design
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Mathematics and Physics
Official 2016 Collection
 
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