Program

O.22 -- Oral, NCTP-41

Date: Wednesday, 3 August 2016

Time: 15h00 - 15h20

Pressure-induced structural transformation in SiO2 glass

Le Van Vinh*, Nguyen Thu Giang, Nguyen T. Thanh Ha, Nguyen Thu Nhan, Pham Khac Hung

Department of Computational Physics, Hanoi University of Science and Technology, Hanoi, Vietnam

Molecular dynamics (MD) simulations of SiO2 glass been carried out to investigate the pressure-induced structural transformation. We found that not only the faction of units SiOx (x=4, 5, 6) but also the density of each SiOx type change upon compression. The density of sample can be expressed through the fraction and one of units SiOx. With increasing pressure, O atoms are more ordered than Si atoms and to form fcc and hcp clusters. The same units SiOx link together to form atomic clusters (AC) of type AC4, AC5 and AC6.

Presenter: Le Van Vinh