A Comparative Analysis of the Size Dependence of the Melting and Crystallization Temperatures in Silver Nanoparticles via the Molecular Dynamics and Monte-Carlo Methods

Аннотация

The size dependences of the melting and crystallization temperatures of silver nanoparticles are obtained by two alternative atomistic simulation methods, such as the molecular dynamics and Monte-Carlo methods. The simulation results are analyzed and compared with available experimental values and a melting temperature calculated using the well-known Thomson formula. Atomistic simulation reveals good coincidence between the data and satisfactorily conforms to the Thomson formula. However, the melting temperatures predicted through atomistic simulations exceeds the available experimental data.