Program

O.5 -- Oral, NCTP-41

Date: Monday, 1 August 2016

Time: 14h00 - 14h20

Strutural organization and network structure of liquid zircon under compression

Tran Thuy Duong, Nguyen Van Hong

Hanoi University of Science and Technology

Strutural organization and network structure of liquid zircon (ZrSiO4) under a wide pressure range are investigated by molecular dynamics simulation and visualization. The short range order (SRO) and intermediate range order (IRO) characteristics are analyzed via topology statistics of basic structural units TOn and likages OTm (T=Zr, Si). Investigation results of network structure and size distribution of Si-O and Zr-O subnets show that the structure of zircon decomposes into ZrO2- and SiO2-rich regions. The micro-phase separation and structural and compositional heterogeneities of ZrSiO4 are also discussed in this work.

Presenter: Tran Thuy Duong