The crystallization process in the nano-iron particles model

Tóm tắt

This paper studies the microstructure and the crystallization process in the nano-iron particles model with 10,000 particles at temperatures 300K, 500K, 700K, 900K, 1000K and 1,100K. The model was studied by Molecular Dynamics method (MD) with the Pak-Doyama pair-interaction potential and aperiodic boundary conditions. The microstructure characteristics was analyzed by the radial distribution function (RDF), the size, the energy and the coordination number. The crystallization process was studied through the relationships between the energy and the number of thermal annealing steps, between the number of crystal nucleation and the coordination number, between the number of crystal nucleation with the radius and showed that temperature of crystallization process from 907K to 998K.