Molecular Dynamic Simulation of Surface Growth of Metal Clusters in Gas Phase Condensation Processes

In the present work, the formation of metal clusters from a supersaturated gas phase was studied by means of molecular dynamic (MD) simulation as an example for iron nanoparticles in the argon bed. The interaction between the atoms was modeled by the Embedded Atom method (EAM) and Leonard-Jones potentials. The mechanism and growth rate of the metal clusters were studied. It is shown that with increasing the partial pressure of the precursor gas, the surface growth rate increases. The results of MD simulation are compared with analytical models.

Keywords:

Molecular dynamic simulation , Nanoparticles , Gas phase condensation , Surface growth , Iron