Static and dynamic properties of simulated liquid and amorphous GeO2

Static and dynamic properties of liquid and amorphous GeO2 have been simulated by a molecular dynamics method in a model containing 3000 particles under periodic boundary conditions. We have proposed for the first time new interatomic potentials for liquid and amorphous GeO2 Which have a Morse-type potential for short range interaction in the system. The structure of liquid and amorphous models is analysed through the partial radial distribution functions, coordination number distributions, interatomic distances and bond angle distributions. The calculated data for the structure and atomization energy of GeO2 system agree well with the experimental ones. Further, for the first time, diffusion in liquid GeO2 has been studied. We found that the temperature dependence of the diffusion constant D shows an Arrhenius law at temperatures above the melting point and it shows a power law, D proportional to (T - T-c)(gamma), at higher temperatures. The evolution of the structure upon cooling has been observed and presented.