Simulation study of void aggregations in amorphous ZnO

Abstract

The simulations of microstructure have been done for amorphous zinc oxide by mean of molecular dynamic method. This work focused on two kinds of void aggregations: void clusters and void tubes. The results showed that many voids cluster nearby and created a lager cavity with volume seven times bigger than one of the oxygen atom. In addition, we found a void tube in low-density system, which consisted of 59 voids. Other local characteristics such as the pair radial distribution functions, bond-angle distributions, coordination number distributions, volume distribution of void cluster have also been calculated and presented here.