Simulation study of void aggregations in amorphous ZnO

Tác giả:  Vinh L.T., Anh N.D.Q., Nhan N.H.K., Duy V.H., Tam N.K., Quang D.V., Hong N.V.

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.