A flexible implementation of strong segregation theory for two dimensional ABC star terpolymer morphologies

TL;DR

This paper introduces a new computational method for modeling phase-separated morphologies of ABC star terpolymers using strong segregation theory, enabling efficient phase diagram construction.

Contribution

It develops a flexible implementation of strong segregation theory tailored for two-dimensional ABC star terpolymer morphologies, adaptable to various structures and compositions.

Findings

Allows calculation of free energies for 2D morphologies

Enables efficient construction of phase diagrams

Applicable to complex and multiple core morphologies

Abstract

We present a novel computational implementation of strong segregation theory, developed specifically for calculations of phase separated ABC star terpolymers. The method allows calculation of free energies of common two-dimensional morphologies for these polymers and the efficient construction of phase diagrams. The branch points of the ABC star terpolymers are localized in core regions, modeled as cylinders in three dimensions, and our framework is applicable to morphologies with single and multiple core types. Our central idea is that all the structures we wish to model can be assembled from a flexible base motif, which we call Strongly Segregated Polygons. This method is useful for exploring a wide range of complex morphologies, using a range of compositions and interaction strengths. We focus on 2D morphologies of ABC star terpolymers, but our method could be extended into three dimensions and to other molecular architectures, and in principle to large, irregular quasiperiodic two-dimensional structures.