From disorder to order: A dynamic approach to mesophase formation in soft sphere model

This study explores the dynamics of self-assembly and mesophase formation through molecular dynamics simulations of hexagonal and lamellar systems using a simplified coarse-grained model. We focus on characterizing the order-disorder transitions driven by temperature variations and emphasize the often overlooked disordered regime, which serves as a precursor to periodic mesoscale ordering. Our findings not only underscore the morphological richness of the disordered regime, comparable to that of its periodic counterparts, but also reveal the presence of clustering regimes within isotropic phases, thus corroborating prior experimental and theoretical observations. By employing the dynamic correlation coefficient, this work introduces a novel approach to understanding the fundamental mechanisms of mesophase formation, providing new insights into the complex dynamics of self-assembly.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2024-09-17
DOI
https://doi.org/10.1063/5.0224154
Citations
2
Primary Topic
Material Dynamics and Properties
Type
article
Field-Weighted Citation Impact
0.23

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article

From disorder to order: A dynamic approach to mesophase formation in soft sphere model

Ezequiel R. Soulé, Cristian Balbuena, María Victoria Uranga Wassermann
2 citations
The Journal of Chemical Physics
Material Dynamics and Properties
0.23
article

From disorder to order: A dynamic approach to mesophase formation in soft sphere model

Ezequiel R. Soulé, Cristian Balbuena, María Victoria Uranga Wassermann
article en
2 citations

Abstract

This study explores the dynamics of self-assembly and mesophase formation through molecular dynamics simulations of hexagonal and lamellar systems using a simplified coarse-grained model. We focus on characterizing the order-disorder transitions driven by temperature variations and emphasize the often overlooked disordered regime, which serves as a precursor to periodic mesoscale ordering. Our findings not only underscore the morphological richness of the disordered regime, comparable to that of its periodic counterparts, but also reveal the presence of clustering regimes within isotropic phases, thus corroborating prior experimental and theoretical observations. By employing the dynamic correlation coefficient, this work introduces a novel approach to understanding the fundamental mechanisms of mesophase formation, providing new insights into the complex dynamics of self-assembly.

The Journal of Chemical PhysicsVol. 161(11)
Consejo Nacional de Investigaciones Científicas y Técnicas (AR), National University of Mar del Plata (AR), Instituto de Investigaciones en Ciencia y Tecnología de Materiales (AR)
Consejo Nacional de Investigaciones Científicas y Técnicas, Fondo para la Investigación Científica y Tecnológica
Life in Land
Openalex Percentile: Top 51%
Material Dynamics and Properties
0.23
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