Design of two-dimensional particle assemblies using isotropic pair interactions with an attractive well

TL;DR

This paper develops inverse design strategies to create isotropic pair interactions with attractive wells that can reliably assemble particles into various two-dimensional lattice structures, including complex open lattices.

Contribution

It introduces ground-state and relative-entropy based inverse design methods for engineering isotropic interactions to achieve specific 2D lattice assemblies, including open structures.

Findings

Successfully stabilizes square, honeycomb, and kagome lattices

Design rules validated for truncated-square and truncated-hexagonal lattices

Provides a framework for designing interactions for complex open lattices

Abstract

Using ground-state and relative-entropy based inverse design strategies, isotropic interactions with an attractive well are determined to stabilize and promote as- sembly of particles into two-dimensional square, honeycomb, and kagome lattices. The design rules inferred from these results are discussed and validated in the dis- covery of interactions that favor assembly of the highly open truncated-square and truncated-hexagonal lattices.