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ISRN Materials Science
Volume 2014 (2014), Article ID 253627, 6 pages
http://dx.doi.org/10.1155/2014/253627
Research Article

Study of Structural and Phase Transition of Nickel Metal

Thai Nguyen University of Education, No. 20 Luong Ngoc Quyen, Thai Nguyen, Vietnam

Received 23 December 2013; Accepted 14 January 2014; Published 9 March 2014

Academic Editors: M. Fantini and S. Sombra

Copyright © 2014 Pham Huu Kien. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Annealing study of nickel metal in the temperature range 300–1000 K has been carried out using molecular dynamics (MD) simulations. The simulation is done for models containing 104 particles Ni at both crystalline and amorphous states. We obtain the change as a function of annealing time for the potential energy of system, pair radial distribution function (PRDF), and distribution of coordination number (DCN). The calculation shows that the aging slightly reduces the potential energy of system. This result evidences that the amorphous model undergoes different quasiequilibrated states during annealing. The crystalline model undergoes the slow relaxation which reduces the energy of system and eliminates structural defects in crystal lattices.