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

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.

Automated summary

A model based on the Lennard-Jones potential function is proposed to calculate the melting points of nanoparticles, considering the effects of size, shape, atomic volume, and surface packing. The model for spherical nanoparticles agrees with experimental values and can predict the melting points accurately. The non-integer L-J potential function can also be used to predict the melting points of nanoparticles.