Brute Force Investigation of Complex Branched Block Copolymers to Stabilize Network Phases

ORAL

Abstract

Branched block copolymers have garnered increasing attention for their ability to stabilize complex morphologies that are often inaccessible to linear polymers. However, traditional theoretical design approaches based on self-consistent field theory (SCFT) typically rely on physical intuition or experimental guidance, and often require software modification for each new polymer architecture, making large-scale automated exploration impractical. Recently, we have developed efficient SCFT software for branched polymers that eliminates the need for code rewriting. Furthermore, by utilizing SMILES notation, duplicate architectures are systematically removed, thereby reducing the search space. This enables automated and comprehensive screening of diverse microphase structures. Through brute-force investigations of the self-assembly behavior of AB-type branched block copolymers across various candidate morphologies including gyroid, diamond, primitive, and spherical phases, we demonstrate that most network phases can be successfully stabilized.

*This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2022R1C1C2010613). We thank the Center for Advanced Computation at Korea Institute for Advanced Study for providing computing resources.

Presenters

  • Daeseong Yong

    • Korea Institute for Advanced Study

Authors

  • Daeseong Yong

    • Korea Institute for Advanced Study