Program

P.58 -- Poster, NCTP-41

Date: Wednesday, 3 August 2016

Time: 08h30 - 10h00

Study of crystallization mechanisms of Fe nanoparticle

P. H. Kien, G. T. Trang, P. K. Hung

Department of Physics, Thainguyen University of Education, 20 Luong Ngoc Quyen, Thainguyen, Viet Nam; Department of Computational Physics, Hanoi University of Technology, 1 Dai Co Viet, Hanoi Viet Nam

Fe nanoparticles (NP) were investigated by means of molecular dynamics simulation. The crystallization mechanisms was studied through the time evolution of crystal cluster and potential energies of different types atoms. The simulation shows that the NP was crystallized into bcc crystal structure when it was annealed at 900 K for long times. Analyzing the energies of different type atoms, we found that the crystal growth is originated from specific atomic arrangement in the boundary region of crystal clusters. Further study concerns the morphologies of NP. It was shown that different morphologies differ strongly not only in the core, but also in the surface of NP. Unlike amorphous NP, the structural organization of phases in the crystalline sample is more complicated and cannot be described by simple shell/core model.

Presenter: Giap Thuy Trang