The Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function

Abstract

A model is proposed to calculate the melting points of nanoparticles based on the Lennard-Jones (L-J) potential function. The effects of the size, the shape, and the atomic volume and surface packing of the nanoparticles are considered in the model. The model, based on the L-J potential function for spherical nanoparticles, agrees with the experimental values of gold (Au) and lead (Pb) nanoparticles. The model, based on the L-J potential function, is consistent with Qi and Wang’s model that predicts the Gibbs-Thompson relation. Moreover, the model based on the non-integer L-J potential function can be used to predict the melting points Tm of nanoparticles.

Keywords

• lennard-jones potential function
• cohesive energy
• melting point
• nanoparticles
• shape factor