The size-shape dependent Debye temperature, melting entropy and melting enthalpy theoretical models for metallic nanomaterial

Abstract

New size-shape dependent theoretical models of Debye temperature, enthalpy and entropy of melting have been developed for metallic nanostructured materials without any adjustable parameters, based on the thermodynamics principles and our previous melting temperature model,. With the increase of the metallic particles’ size, the Debye temperature as well as the melting enthalpy, entropy will increase. The quantitative relationships are established among the material sizes, atomic radius, shape parameters as well as the melting temperature point, with the Debye temperature, melting enthalpy and entropy for bulk materials in this model, respectively. Good consistencies have been shown between the theoretical predictions and available experimental results or molecular dynamics simulation results at the size considered.