Inverse Design of Topographical Templates for Directed Self-Assembly of Block Copolymers

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• 作者：Adam F. Hannon ; Kevin W. Gotrik ; Caroline A. Ross ; Alfredo Alexander-Katz
• 刊名：ACS Macro Letters
• 出版年：2013
• 出版时间：March 19, 2013
• 年：2013
• 卷：2
• 期：3
• 页码：251-255
• 全文大小：279K
• 年卷期：v.2,no.3(March 19, 2013)
• ISSN：2161-1653

文摘

A computational inverse design algorithm is presented that predicts the necessary topographical template to direct the self-assembly of a diblock copolymer thin film into a desired complex morphology. This topographical template is determined from the spatial configuration of a template that results in an energy minimum for the system. Degenerate solutions are accounted for by performing multiple simulations with random starting configurations of the topographical template and making a statistically weighted template that is tested using self-consistent field theory simulations. The final template is, thus, the inverse design solution of the desired block copolymer morphology. The results also yield nonintuitive post-configuration design principles.