Program

P.9 -- Poster, NCTP-40

Date: Monday, 27 July 2015

Time: 14h00 - 15h30

The crystallization of iron nanoparticles

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

Using molecular dynamics simulation, we have studied the crystallization of iron nanoparticles. The crystallization is analyzed through the potential energy and number of different type atoms. The simulation results indicated that when the amorphous sample is annealed at 900 K, it is crystallized into bcc phase. The influence of temperature on crystallization is clarified through the samples with different temperature. When the crystal cluster has a size larger than some critical value, the crystal growth occurs. Further, this cluster if stable and tends to have a nearly spherical shape. The fully crystallized sample consists of the core with crystalline structure and surface shell with amorphous porous structure.

Presenter: Nguyen Thi Thao