Determination of thermophysical properties and the radial distribution function of a silver nanoparticle using numerical methods

Le résumé fourni par la source

The performance of microelectronic devices based on silver nanostructures depends on their thermophysical properties. Therefore, it is important to study the thermophysical properties of silver nanostructures depending on their size and structure. In this work, the thermal stability of spherical silver nanoparticles was studied using computer simulation by the molecular dynamics method. In the course of this work, the temperature dependences of the potential part of the specific internal energy of silver nanoparticles were obtained with a change in the size of the nanoparticle for various potentials corresponding to the embedded atom” method. Using numerical data processing methods, the temperatures of the beginning and end of melting were determined. Also, size dependences of the melting temperature and specific heat of fusion of silver nanoparticles were plotted and analyzed for different potentials of the “embedded atom”. Potentials that provide the best agreement with the tabular values of the macroscopic melting temperature and specific heat of fusion were determined. In addition, the radial distribution function for a silver nanoparticle was constructed and analyzed at different temperatures and for different sizes of the nanoparticle.

Ce résumé expose les affirmations des auteurs. BNTIC ne l’interprète pas comme une validation indépendante des résultats.