Short and intermediate range orders

The network structure of zircon (ZrSiO4) in the amorphous and liquid states was investigated using molecular dynamics simulation and visualization. The short range order (SRO) and intermediate range order (IRO) characteristics were analyzed via distribution of units TOn and OTm (T=Zr, Si) linkages.

7p tamynhan9 02-12-2020 6 2   Download

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