Programme

P.48 -- Poster, NCTP-43

Date: Wednesday, 1 August 2018

Time: 08:30 - 10:00

Molecular dynamics study of pressure effect on structure of CuNi alloy

Nguyen Thi Thao (1) , Le Van Vinh (2)

(1) Department of Theoretical Physics, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi, Viet Nam (2) Department of Computational Physics, Hanoi University of Science and Technology, 1 Dai Co Viet, Hanoi, Viet Nam

The structure of CuNi alloy has been investigated by means of molecular dynamic (MD) simulation. The interactions between atoms of the system were calculated by Sutton-Chen type of embedded atom method. The results show that when the sample was cooled down from 2000K to 300K at the cooling rate of 0.01 K/ps, both Ni and Cu atoms are crystallized into face centered cubic (fcc) and the hexagonal close packed (hcp) phases. The transformation to crystalline phase is analyzed through the Common Neighbor Analysis (CNA) methods. Further, we focus on the dependence pressure on the structure of CuNi alloy.

Presenter: Nguyen Thi Thao