Molecular Dynamics Simulation Study on the Melting of Ultra-thin Copper Nanowires

TL;DR

This study uses molecular dynamics simulations to explore how ultra-thin copper nanowires melt, revealing that melting temperature depends linearly on the number of atoms per layer and is consistent across different initial structures.

Contribution

It provides new insights into the melting behavior of copper nanowires, highlighting the relationship between atom count per layer and melting temperature.

Findings

Melting temperature is linearly proportional to atoms per layer.

Nanowires with similar atom counts per layer have similar melting points.

Caloric curves reveal phase transition characteristics.

Abstract

We have investigated the melting behavior of ultra-thin copper nanowires using classical molecular dynamics simulations. The caloric curves of cylindrical multi-shell copper nanowires showed an insight into the specific phase transition. The melting temperature of copper nanowires is linearly proportional with the number of atoms per layer. When nanowires have almost the same number of atoms per layer regardless of the initial structures, the melting temperatures of nanowires are much the same.