Programme

P.78 -- Poster, VCTP-45

Date: Wednesday, 14 October 2020

Time: 08:30 - 10:00

Online presentation

A connection between domain structure and dynamical properties of liquid silica under pressure

Giap Thi Thuy Trang* and Pham Huu Kien

Thainguyen University of Education, No. 20 Luong Ngoc Quyen, Thainguyen, Vietnam

Molecular dynamics simulation is used to study liquid silica consisting of 4998 atoms at 3200K under pressure from 0 to 30 GPa. The compression was considered through domain analysis and voronoi polyhedral. The results show that the structure of liquid silica is heterogeneous at pressure below 10 and above 20 GPa. It comprises separate regions which are Dx (x = 4, 5, 6) and DB domains. The Dx domains occupy high-density regions while DB domains occupy low-density regions. Upon compression the structural change is accompanied with splitting and merging processes of domains. The dynamical properties are investigated firstly corresponding to domain structure. We found that there is a connection between domain structure and dynamical properties of liquid silica.

Presenter: Giap Thi Thuy Trang

Presentation file: