Simulations of the inert gas condensation processes

Abstract Inert gas condensation of metallic and covalently bonded nanoparticles has been investigated using molecular-dynamics computer simulations. Using Ge as an example, the different phases of particle growth, nucleation, monomeric growth, and cluster aggregation, have been identified and the kinetics of each described. In addition, the evolutions of the morphologies of the different types of nanoparticles have been studied. It is shown that while covalently bonded nanoparticles tend toward a ramified structure, metallic nanoparticles remain compact, owing to deformation in the crystallized state. Finally, the strong influence of surface segregation on the structure of alloy nanoparticles is illustrated using a model system.