Computational Self-Assembly of a Six-Fold Chiral Quasicrystal

TL;DR

This paper demonstrates the self-assembly of a six-fold chiral quasicrystal in a 2D particle system via molecular dynamics, highlighting how substrate potential and temperature influence its structure and symmetry.

Contribution

It introduces a novel simulation approach for forming chiral quasicrystals and analyzes how external parameters affect their structural properties.

Findings

Successful formation of a six-fold chiral quasicrystal in simulations

Substrate potential depth and temperature significantly affect quasicrystal structure

Identification of unique local motifs and symmetry properties

Abstract

Quasicrystals are unique materials characterized by long-range order without periodicity. They are observed in systems such as metallic alloys, soft matter, and particle simulations. Unlike periodic crystals, which are invariant under real-space symmetry operations, quasicrystals possess symmetry that requires description by a space group in reciprocal space. In this study, we report the self-assembly of a six-fold chiral quasicrystal using molecular dynamics simulations of a two-dimensional particle system. The particles interact via the Lennard-Jones-Gauss pair potential and are subjected to a periodic substrate potential. We confirm the presence of chiral symmetry through diffraction patterns and order parameters, revealing unique local motifs in both real and reciprocal space. The quasicrystal's properties, including the tiling structure and symmetry and the extent of diffuse scattering, are strongly influenced by substrate potential depth and temperature. Our results provide insights into the mechanisms of chiral quasicrystal formation and the role and potential of external fields in tailoring quasicrystal structures.