STUDY OF THE CORRELATION BETWEEN THE RADIAL DISTRIBUTION FUNCTION AND BOND ANGLE DISTRIBUTION IN Mg2SiO4 SOLID

Abstract

In this paper, the characteristics about topology of SiO_x and MgO_n units in Mg₂SiO₄ solid at different pressures are investigated by molecular dynamics simulation to clarify its microstructure under compression. The structure of Mg₂SiO₄ solid is considered through the pair radial distribution function and bond angle distribution. The result shows that the tight correlation between the pair radial distribution function Si-Si, Mg-Mg and bond angle distribution Si-O-Si, Mg-O-Mg, respectively. The characteristic change of pair radial distribution function Si-Si, Mg-Mg under compression is also discussed in detail.