Discotic liquid crystal shells under mixed anchoring: Monte Carlo simulation study

The formation of topological defects (TDs) in ordered phases under spherical confinement is inevitable, as exemplified by liquid crystal (LCs) shells and droplets. In this work, we present Monte Carlo simulations of discotic LCs confined between two concentric spherical surfaces with mixed anchoring conditions, considering two scenarios: (1) an inner surface with face-on (homeotropic) anchoring and an outer surface with edge-on (planar) anchoring, and (2) the reverse configuration, across three different shell thicknesses. We report the emergence of multiple disclination lines that satisfy the Poincaré-Hopf theorem. In thicker shells, two+1/2disclination arches appear in the nematic phase with their ends anchored at the edge-on surfaces, while the face-on anchoring promotes the formation of a disclination ring. In contrast, in thinner shells, only two disclination lines are observed in the nematic phase: a wedge disclination and a twist disclination, both terminating at the edge-on surface. Although the twist disclinations change sign along their length (from+1/2to-1/2and back), they contribute+1/2charges at the edge-on boundary, thereby yielding the required total topological charge of +2 at the surface. Additionally, confinement induces a continuous isotropic-nematic transition, consistent with previous studies. These findings provide new insights into the interplay between anchoring conditions, confinement geometry, and TD formation in discotic LCs.

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Journal
Journal of Physics Condensed Matter
Published
2025-11-20
DOI
https://doi.org/10.1088/1361-648x/ae2226
Primary Topic
Liquid Crystal Research Advancements
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article
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article

Discotic liquid crystal shells under mixed anchoring: Monte Carlo simulation study

José A. Martínez‐González, Enrique Dı́az-Herrera, Daniel Salgado‐Blanco, Carlos I. Mendoza
Journal of Physics Condensed Matter
Liquid Crystal Research Advancements
article

Discotic liquid crystal shells under mixed anchoring: Monte Carlo simulation study

José A. Martínez‐González, Enrique Dı́az-Herrera, Daniel Salgado‐Blanco, Carlos I. Mendoza
article en

Abstract

The formation of topological defects (TDs) in ordered phases under spherical confinement is inevitable, as exemplified by liquid crystal (LCs) shells and droplets. In this work, we present Monte Carlo simulations of discotic LCs confined between two concentric spherical surfaces with mixed anchoring conditions, considering two scenarios: (1) an inner surface with face-on (homeotropic) anchoring and an outer surface with edge-on (planar) anchoring, and (2) the reverse configuration, across three different shell thicknesses. We report the emergence of multiple disclination lines that satisfy the Poincaré-Hopf theorem. In thicker shells, two+1/2disclination arches appear in the nematic phase with their ends anchored at the edge-on surfaces, while the face-on anchoring promotes the formation of a disclination ring. In contrast, in thinner shells, only two disclination lines are observed in the nematic phase: a wedge disclination and a twist disclination, both terminating at the edge-on surface. Although the twist disclinations change sign along their length (from+1/2to-1/2and back), they contribute+1/2charges at the edge-on boundary, thereby yielding the required total topological charge of +2 at the surface. Additionally, confinement induces a continuous isotropic-nematic transition, consistent with previous studies. These findings provide new insights into the interplay between anchoring conditions, confinement geometry, and TD formation in discotic LCs.

Journal of Physics Condensed MatterVol. 37(48)
Autonomous University of San Luis Potosí (MX), Universidad Autónoma Metropolitana (MX), Institute for Scientific and Technological Research (MX), New York University (US), Universidad Nacional Autónoma de México (MX)
Openalex Percentile: Top 74%
Liquid Crystal Research Advancements
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Discotic liquid crystal shells under mixed anchoring: Monte Carlo simulation study — José A. Martínez‐González, Enrique Dı́az-Herrera, et al. · Journal of Physics Condensed Matter (2025) | TGRS Research Map | TGRS