Melting tungsten nanoparticles: a molecular dynamics study

TL;DR

This study uses molecular dynamics simulations with MEAM potentials to investigate how tungsten nanoparticle melting temperatures decrease with size, revealing premelting phenomena and confirming thermodynamic model predictions.

Contribution

It provides detailed molecular dynamics insights into the size-dependent melting behavior of tungsten nanoparticles, including premelting effects.

Findings

Melting temperature decreases with decreasing nanoparticle size.

Premelting occurs at the nanoparticle surface before bulk melting.

Results align with thermodynamic model predictions.

Abstract

We report a molecular dynamics simulation of melting of tungsten (W) nanoparticles. The modified embedded atom method (MEAM) interatomic potentials are used to describe the interaction between tungsten atoms. The melting temperature of unsupported tungsten nanoparticles of different sizes are found to decrease as the size of the particles decreases. The melting temperature obtained in the present study is approximately a decreasing function of inverse radius, in a good agreement with the predictions of thermodynamic models. We also observed that the melting of a W nanoparticle is preceded by the premelting of its outer skin at a temperature lower than its melting temperature.