Non-affine heterogeneities and droplet fluctuations in an equilibrium crystalline solid

TL;DR

This study uses molecular dynamics simulations to investigate droplet fluctuations with non-affine deviations in a 2D Lennard-Jones solid, revealing heterogeneities that increase near the fluid-solid phase boundary and exhibit fluid-like or glassy characteristics.

Contribution

It demonstrates the presence and nature of non-affine droplet heterogeneities in an equilibrium crystalline solid, linking them to metastable minima and phase boundary proximity.

Findings

Droplet fraction increases as density decreases.

Some droplets are fluid-like and compact, others glassy and string-like.

Non-affine heterogeneities are related to metastable states.

Abstract

We show, using molecular dynamics simulations, that a two-dimensional Lennard-Jones solid is subject to droplet fluctuations characterized by {\em non-affine} deviations from local crystallinity. The fraction of particles in these droplets increases as the mean density of the solid decreases and approaches $\approx 20$% of the total number in the vicinity of the fluid-solid phase boundary. We monitor the geometry, local equation of state, density correlations and van Hove functions of these droplets and show that some of these droplets are fluid-like and compact, while some are glassy and string-like. We provide evidence that these non-affine heterogeneities should be interpreted as being droplet fluctuations from nearby, metastable minima.