[3PS-151]
Molecular Dynamics Study of Terminal Chain Length Effects on Phase Structure of Bent-Core Liquid Crystals in the B4 Phase
발표자김현준 (고려대학교)
연구책임자김용주 (고려대학교)
Abstract
The molecular structure of liquid crystals affect formation of mesophases and supramolecular self-assembled structures. Bent-core liquid crystal molecules can form B4 phases, and recent studies found tubular nanostructures such as heliconical-layered nanocylinder(HLNC), besides classical helical nanofilament(HNF) depending on molecular structure. Diverse morphologies vary with molecular packing modes and interlayer interactions, influenced by terminal alkyl chain length, substitution pattern, and core rigidity. In this study, we investigated structure of azobenzene-containing dimeric liquid crystals using molecular dynamics simulation. Longer chains weaken π–π stacking between benzene, strengthen chain interaction, and increase flexibility by reducing relative end-to-end distance. These results provide molecular-level understanding of how terminal chain length governs the structural evolution and phase behavior of bent-core liquid crystals in the B4 phase.