Stability of Phase Coexistence in Atomic Clusters

TL;DR

This study combines theoretical and simulation approaches to investigate the stability of solid-liquid coexistence in nanoscale lead clusters, identifying critical sizes for metastability and stability.

Contribution

It demonstrates the existence of stable coexisting states in large lead clusters and clarifies size-dependent stability thresholds using both theory and molecular dynamics.

Findings

Stable coexistence in 1427- and 2057-atom clusters

No stable coexistence in 931-atom cluster

Critical cluster sizes for metastability and stability

Abstract

Microcanonical critical droplet theory and molecular dynamics simulations are used to examine static coexistence between solid and liquid phases in nanoscale lead clusters. It is shown that the theory predicts the existence of a metastable coexisting state above a critical cluster radius $R_1$, with this state becoming stable for clusters of radius $R > R_2$. Molecular dynamics simulations of lead clusters confirm the existence of stable coexisting states in 1427-atom and 2057-atom clusters but find no stable coexisting state in a 931-atom cluster.