Emergent structural length scales in a model binary glass --- the micro-second molecular dynamics time-scale regime

TL;DR

This study uses microsecond-scale molecular dynamics simulations of a binary Lennard-Jones glass to reveal emergent structural length scales and heterogeneous relaxation behaviors, advancing understanding of long-time structural evolution in glasses.

Contribution

It demonstrates the existence of emergent structural length scales and heterogeneous relaxation in glasses at microsecond timescales, providing insights into the formation of stable amorphous and nano-composite structures.

Findings

Significant mobility and relaxation occur at microsecond timescales.

Reproducible relaxation trajectories lead to asymptotic structural states.

Structures show strong heterogeneity and potential for nano-composite formation.

Abstract

It is now possible to routinely perform atomistic simulations at the microsecond timescale. In the present work, we exploit this for a model binary Lennard-Jones glass to study structural relaxation at a timescale spanning up to 80 microseconds. It is found that at these longer time-scales, significant mobility and relaxation occurs, demonstrating a reproducible relaxation trajectory towards a class of asymptotic structural states which are strongly heterogeneous. These structures are discussed both in terms of the ideal glass state and a production route towards novel amorphous crystalline nano-composite micro-structures with strong interface stability.