Frame-guided assembly from a theoretical perspective

TL;DR

This paper investigates the process of frame-guided assembly of two-dimensional membranes through computer simulations and analytical models, revealing how guiding elements influence structure formation at different conditions.

Contribution

It introduces a combined simulation and analytical approach to understand frame-guided assembly, a novel method for designing predefined membrane structures.

Findings

Assembly begins below the critical micelle concentration.

Lower temperatures lead to more localized formation.

The lattice gas model aligns with continuous model results.

Abstract

The molecular self-assembly of various structures such as micelles and vesicles has been the subject of comprehensive studies. Recently, a new approach to design these structures, the frame-guided assembly, has been developed to progress towards fabrics of predefined shape and size, following an initially provided frame of guiding elements. Here we study frame-guided assembly into a two-dimensional membrane via computer simulations, based on a single-bead coarse grained surfactant model in continuous space. In agreement with the experiment the assembly process already starts for surfactant concentrations below the critical micelle concentration. Furthermore, upon decreasing temperature the formation process gets more localized. Additionally, we consider a lattice gas model of the membrane plane including guiding elements where the particle concentration is varied via a chemical potential. It behaves similar to the continuous model and additionally allows the formulation of analytical mean-field predictions which provide a fundamental understanding of frame-guided assembly.