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.

Publication Details

Journal
Conicet
Published
2024-09-01
Primary Topic
Material Dynamics and Properties
Type
article
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article

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

Conicet
Material Dynamics and Properties
article

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

article en

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.

Conicet
Openalex Percentile: Top 70%
Material Dynamics and Properties
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From disorder to order: A dynamic approach to mesophase formation in soft sphere model · Conicet (2024) | TGRS Research Map | TGRS