Simulation of Surface Morphology and Defect Structure in Copper Nanoparticles

摘要

Molecular dynamics simulation for the morphology and the defect structure in nanoparticles has been performed. The nanoparticles are consisted of 1300 - 5000 atoms and the EAM potential developed by the present authors is adopted to calculate the interactions between atoms. The atom consisting the surfaces or defects are selected thorough the potential energy of individual atoms and structure is investigated by calculating the local crystalline order. A relation between the cooling rate and the particle morphology is also investigated.