Programme

P.73 -- Poster, VCTP-46

Date: Wednesday, 6 October 2021

Time: 08:30 - 10:00

Computer simulation of glassy network structure of B2O3-2SiO2 and Al2O3-2SiO2 systems

Mai Thi Lan(1), Pham Tri Dung(2), Nguyen Van Hong(1)

(1)Hanoi University of Science and Technology, 01 Dai Co Viet st, Hai Ba Trưng, Hanoi, Vietnam; (2)Naval Academy, 30 Tran Phu st, Nha Trang, Khanh Hoa province, Vietnam.

Network structure of B2O3-2SiO2 and Al2O3-2SiO2 systems (abbreviated as BS2 and AS2, respectively) in liquid state is investigated by molecular dynamics simulation. For BS2 system, most of basic structure units is BO3 and SiO4, the number of BO4 and SiO5 is very small. For AS2 system, most of basic structure units is TO4 (T=Al, Si). The number of TO3 and TO5 is not much. The topology of basic structural units is investigated via bond angle and bond length distribution. The network structure is stu through linkages T-O-T (T=Si, B, Al) and Qn (Q is SiO4 and n is the number of bridging oxygen (BO) in SiO4 units). Specially, the polyamorphism as well as structural and compositional heterogeneities are also presented and discussed in detail.

Presenter: Mai Thi Lan