In this work, we performedMonte Carlo simulations of a Gay-Berne discotic liquid crystal confined in a spherical droplet under face-on anchoring and fixed pressure. We find that, in contrast to the unbounded system, a plot of the order parameter as function of temperature does not show a clear evidence of a first-order isotropic-nematic transition. We also find that the impossibility of simultaneously satisfy the uniform director field requirement of a nematic phase with the radial boundary conditions, results in the appearance of a ring disclination line as a stress release mechanism in the interior of the droplet. Under further cooling, a columnar phase appears at the center of the droplet.
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http://dx.doi.org/10.1088/1361-648X/ac630b | DOI Listing |
Polymers (Basel)
November 2024
School of Materials Science and Engineering, Key Laboratory of High Energy Density Materials (MOE), Beijing Institute of Technology, Beijing 100081, China.
Block copolymers (BCPs) have attracted considerable attention due to their ability to form a variety of complex assemblies with diverse morphologies and functions in solution. By incorporating liquid crystalline (LC) moieties, the LC side chains significantly affect the morphologies and sizes of BCP assemblies. In this study, we synthesized the copolymer with an LC block containing triphenylene (HAT) discotic mesogen and short methylene side chains.
View Article and Find Full Text PDFSmall Methods
December 2024
Department of Chemical Sciences, Indian Institute of Science Education and Research Mohali, Knowledge city, Sector 81 Manauli PO, SAS Nagar, 140306, India.
The future of next-generation electronics relies on low-cost organic semiconductors that are tailored to simultaneously provide all requisite optoelectronic properties, focusing greatly on ambipolar charge-transport and solution processability. In this regard, room-temperature discotic liquid crystals (DLCs) are potential candidates, where quasi-1D self-assembly affords a charge-transport channel along their columnar axis. This work shows a molecular design strategy by utilizing anthraquinone as the primary motif, surrounded by ester functionalized tri-alkoxy phenyl units to develop room-temperature DLCs (1.
View Article and Find Full Text PDFACS Appl Mater Interfaces
December 2024
Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER), Sector-81, Sahibzada Ajit Singh Nagar, Knowledge City, Manauli, Mohali 140306, India.
Designing smart autonomous healing soft materials is crucial to attaining cost-efficiency and optimal performance in organic semiconductors. In this context, we design an unsymmetrical thiophene-fused phenazine (TFP)-based discotic liquid crystal (DLC) with the goal of creating an active organic semiconductor that encompasses favorable attributes, such as polarizability, mobility, and processability. Aligned with our objective, we successfully synthesized two unsymmetrical TFP core-based DLCs by linking alkyl chains of variable lengths at the periphery through a coupling reaction.
View Article and Find Full Text PDFPhys Rev E
September 2024
ISEL - Instituto Superior de Engenharia de Lisboa, Instituto Politécnico de Lisboa, Rua Conselheiro Emídio Navarro 1, 1959-007 Lisboa, Portugal and Centro de Física Teórica e Computacional, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal.
We have investigated, by Monte Carlo simulation, the orientational structure of very thin films of a discotic liquid crystal (DLC) confined between hybrid walls of controllable penetrability, as a function of wall separation L_{z}. Our purpose was to clarify whether, as predicted by continuum theory, the preferred orientation of the DLC is uniform, changes linearly, or changes discontinuously, when L_{z} and the anchoring strengths at either wall are changed. The model consists of oblate hard Gaussian overlap (HGO) particles: each wall sees a particle as a disk of zero thickness and diameter D less than or equal to that of the actual particle σ_{0}, embedded inside the particle and located halfway along, and perpendicular to, its minor axis.
View Article and Find Full Text PDFPhys Rev E
September 2024
Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Apdo. Postal 70-360, 04510 México, Ciudad de México, México.
The self-assembly of liquid crystal droplets and shells represents a captivating frontier in soft matter physics, promising precision engineering of functional materials. In this study, we delve into the phase behavior and investigate defect formation patterns in spherical shell-confined discotic liquid crystals (DLCs) through NpT Monte Carlo simulations. These shells are created by confining DLCs between two spherical surfaces, promoting the same anchoring.
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