Programme

P.15 -- Poster, NCTP-39

Date: Tuesday, 29-07-2014

Time: 10h30 - 12h00

Density fluctuations in amorphous and liquid MgO

Nguyen Thu Nhan (1), Dinh Thi Hai Ha (2), Pham Khac Hung (1).

(1) Hanoi University of Science and Technology (2) Hanoi National University of Education

Density fluctuations in liquid and amorphous MgO have been studied using data mining method. We investigated the distribution of atoms, of charge density, and of Mg and/or O atoms on two special subvolumes: 1/ on the coordination sphere in which its radius is determined by the first minimum of the radial distribution function; 2/ on the box which its center is a grid site. The research results indicate that the considered model contains the dense and loose regions. Charge distribution has a peak located at zero in both liquid and amorphous states. The most Mg-rich and O-rich region also examined and obtained the distribution of Mg and O atoms are quite similar.

Presenter: Đinh Thị Hải Hà