Abstract
Single chain in mean-field Monte Carlo simulations were employed to study the self-assembly of block copolymers (BCP) in thin films that use trapezoidal guidelines to direct the orientation and alignment of lamellar patterns. The present study explored the influence of sidewall interactions and geometry of the trapezoidal guidelines on the self-assembly of perpendicularly oriented lamellar morphologies. When both the sidewall and the top surface exhibit preferential interactions to the same block of the BCP, trapezoidal guidelines with intermediate taper angles were found to result in less defective perpendicularly orientated morphologies. Similarly, when the sidewall and top surface are preferential to distinct blocks of the BCP, intermediate tapering angles were found to be optimal in promoting defect free structures. Such results are rationalized based on the energetics arising in the formation of perpendicularly oriented lamella on patterned substrates.
Original language | English (US) |
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Article number | 052501 |
Journal | Physical Review E |
Volume | 96 |
Issue number | 5 |
DOIs | |
State | Published - Nov 8 2017 |
Externally published | Yes |
Bibliographical note
Funding Information:This work was supported in part by a grant from Robert A. Welch Foundation (Grant No. F1599) and to the Donors of the American Chemical Society Petroleum Research Fund for partial support of this research (Grant No. 56715-ND9). The authors acknowledge the Texas Advanced Computing Center (TACC) at The University of Texas at Austin for providing computing resources that have contributed to the research results reported within this paper. G.B. thanks the Paul D. Meek Endowed Graduate Fellowship in Engineering for support.
Publisher Copyright:
© 2017 American Physical Society.