Predicting the self-assembly of a model colloidal crystal

TL;DR

This study uses dynamical measurements and fluctuation-dissipation analysis during early assembly stages to predict the success of colloidal crystal formation, aiming to identify systems prone to kinetic trapping.

Contribution

It introduces a method to predict self-assembly outcomes of colloidal particles using early-time dynamical measurements and fluctuation-dissipation relations.

Findings

Early correlation and response measurements predict crystallisation success.

Dynamical measurements indicate propensity for kinetic trapping.

Fluctuation-dissipation analysis aids in understanding assembly dynamics.

Abstract

We investigate the self-assembly (crystallisation) of particles with hard cores and isotropic, square-well interactions, using a Monte Carlo scheme to simulate overdamped Langevin dynamics. We measure correlation and response functions during the early stages of assembly, and we analyse the results using fluctuation-dissipation theorems, aiming to predict which systems will self-assemble successfully and which will get stuck in disordered states. The early-time correlation and response measurements are made before significant crystallisation has taken place, indicating that dynamical measurements are valuable in measuring a system's propensity for kinetic trapping.