Evidence of T-type structures of hard square boards in capillary confinement

We employ Onsager's second virial density functional theory combined with the Parsons-Lee theory within the restricted orientation (Zwanzig) approximation to examine the phase structure of hard square boards of dimensions (L×D×D) uniaxially confined in narrow slabs. Depending on the wall-to-wal...

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Published in:Physical review. E 2023-05, Vol.107 (5-1), p.054117, Article 054117
Main Authors: Aliabadi, Roohollah, Nasirimoghadam, Soudabe, Wensink, Henricus Herman
Format: Article
Language:English
Subjects:
Physics
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Summary:We employ Onsager's second virial density functional theory combined with the Parsons-Lee theory within the restricted orientation (Zwanzig) approximation to examine the phase structure of hard square boards of dimensions (L×D×D) uniaxially confined in narrow slabs. Depending on the wall-to-wall separation (H), we predict a number of distinctly different capillary nematic phases, including a monolayer uniaxial or biaxial planar nematic, homeotropic with a variable number of layers, and a T-type structure. We determine that the favored phase is homotropic, and we observe first-order transitions from the homeotropic structure with n layers to n+1 layers as well as from homeotropic surface anchoring to a monolayer planar or T-type structure involving both planar and homeotropic anchoring at the pore surface. By increasing the packing fraction, we further demonstrate a reentrant homeotropic-planar-homeotropic phase sequence in a particular range (i.e., H/D=1.1 and 0.25≤L/D
ISSN:2470-0045
2470-0053
DOI:10.1103/PhysRevE.107.054117