Investigation of the degree of local structural similarity between the parent-liquid and children-crystal states for a model soft matter system

TL;DR

This study examines the local structural similarities between parent liquids and resulting crystal states in a soft-matter system, revealing that orientational orderings extend beyond immediate neighbors and may help predict crystal structures from liquid properties.

Contribution

It provides new insights into the relationship between liquid and crystal structures, especially regarding orientational orderings, in a model soft-matter system with multiple crystal forms.

Findings

Orientational orderings extend beyond first and second neighbors.

Structural similarities can potentially predict crystal structures from liquids.

Insights into liquid-solid property parallels in soft-matter systems.

Abstract

We investigate the degree of local structural similarity between the parent-liquid and children-crystal states for a model soft-matter system of particles interacting through the harmonic-repulsive pair potential. At different pressures, this simple system crystallizes into several significantly different crystal structures. Therefore, the model is well suited for addressing the question under consideration. In our studies, we carefully analyze the developments of the pair and triple correlation functions for the parent-liquid as the pressure increases. In particular, these considerations allow us to address the similarities in the orientational orderings of the corresponding liquid and solid phases. It is demonstrated that the similarities in the orientational ordering between the two states extend beyond the first and second neighbors. Currently, it is widely accepted that orientational ordering is important for understanding the behaviors of liquids, supercooled liquids, and the development of detailed theories of the crystalization process. Our results suggest that, up to a certain degree, it might be possible to predict the structures of the children-solids from studies of the parent-liquids. Our results raise anew a general question of how much insight into the properties of the liquid-state can be gained from drawing a parallel with the solid-state.