Modeling self-assembly of diblock copolymer-nanoparticle composites

TL;DR

This paper introduces a cell dynamics model to study how diblock copolymer and nanoparticle composites self-assemble, revealing how nanoparticle concentration and diffusion influence domain formation and morphology.

Contribution

The study presents a novel cell dynamics approach that accounts for nanoparticle diffusion dependent on chain configuration, explaining complex nanocomposite morphologies and transitions.

Findings

Higher nanoparticle concentration slows domain separation.

Matching nanoparticle diffusion length with lamellar size mitigates slowing.

Nanocomposites exhibit morphological transitions and coexistence of patterns.

Abstract

A cell dynamics method for domain separation of diblock copolymers (DBCPs) interacting with nanoparticles (NPs) whose diffusion coefficients depend on chain configuration is proposed for self-assembly of DBCP/NP composites. Increasing NP concentration slows down domain separation, but matching NP diffusion lengths and lamellar size of DBCPs reduces this effect. The model also explains features of different nanocomposites, such as morphological transitions induced by NPs, the coexistence of lamellar and hexagonal patterns in a single sample and peaked NP density profiles across the parallel domains.