Molecular Dynamics Study on Interaction between Solidification Interface and Nanoparticle

Abstract

We investigated interaction phenomena between a solidification interface and a nanoparticle conducting the non-equilibrium molecular dynamics simulation for a system which consists of a Si nanoparticle and water molecules. The solidification was caused by controlling the temperature in the system, and we investigated the influences of interaction strength between the nanoparticle and water molecules and cooling temperature on the interaction phenomena. It was observed that the nanoparticle sticks to the solidification interface in the case of a relatively strong nanoparticle-water interaction, on the other hand, the nanoparticle is pushed by the solidification interface in the case of a weak interaction.