Amorphous silica under compression

The change of short and intermediate range orders in a model of amorphous silica at 500 K in the 0-100 GPa pressure range is investigated using molecular dynamics simulation. The pressure dependence of the bond length, bond angle and coordination distribution is analysed in detail.

6p tamynhan9 02-12-2020 6 2   Download

In this work, we use molecular dynamic (MD) simulation to study the structure transition and crystallization of amorphous silica (SiO2) under compression. The structural evolution of amorphous SiO2 is explained through radial distribution function, coordination number distribution, bond angle distribution and visualization.

10p tamynhan6 14-09-2020 10 2   Download