Breaking the wire: the impact of critical length on melting pathways in silver nanowires

TL;DR

This study investigates how the length of silver nanowires influences their melting pathways, revealing distinct mechanisms for wires above and below a critical length through simulations and modeling.

Contribution

It introduces a comprehensive analysis of melting mechanisms in silver nanowires, highlighting the role of critical length and non-equilibrium effects in phase transition dynamics.

Findings

Long wires follow diffusion-driven melting pathways.

Short wires exhibit rapid overheating and stabilization effects.

Melting behavior is critically influenced by geometry and nanoscale effects.

Abstract

We explore the melting mechanisms of silver nanowires through molecular dynamics simulations and theoretical modelling, where we observe that two distinct mechanisms or pathways emerge that dictate how the solid-liquid interface melts during the phase transition. For wires longer than a critical length ($L>L_{\textrm{crit}}$), an Arrhenius-type diffusion model successfully predicts the solid-liquid interface velocity, highlighting diffusion-driven melting pathways. In contrast, wires shorter than the critical length ($L\leq L_{\textrm{crit}}$) exhibit unique behaviours driven by non-equilibrium effects, including rapid overheating of the solid core, stabilization of the solid-liquid interface, and the pronounced impact of higher energy densities. These mechanisms lead to accelerated melting and distinct phase transition dynamics. Our findings reveal how geometry and nanoscale effects critically shape melting behaviour, offering insights for the design and stability of nanostructures in advanced applications.