Symmetric Diblock Copolymers in Thin Films (II): Comparison of Profiles between Self-Consistent Field Calculations and Monte Carlo Simulations

TL;DR

This study compares self-consistent field calculations with Monte Carlo simulations to analyze lamellar structures of symmetric diblock copolymers in thin films, revealing good agreement and effects of confinement on interface fluctuations.

Contribution

It provides a detailed quantitative comparison between theoretical and simulation methods for lamellar profiles in thin film copolymers, highlighting the impact of confinement.

Findings

Good quantitative agreement between methods

Capillary waves influence interface fluctuations

Confinement suppresses local interfacial fluctuations

Abstract

The structure of lamellar phases of symmetric $AB$ diblock copolymers in a thin film is investigated. We quantitatively compare the composition profiles and profiles of individual segments in self-consistent field calculations with Monte Carlo simulations in the bond fluctuation model for chain length N=32 and $\chi N=30$. Three film thicknesses are investigated, corresponding to parallel oriented lamellae with 2 and 4 interfaces and a perpendicular oriented morphology. Taking account of capillary waves, we find good quantitative agreement between the Monte Carlo simulations and the self-consistent field calculations. However, the fluctuations of the local interfacial position are strongly suppressed by confinement and mutual interactions between lamellae.