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Advances in Materials Science and Engineering
Volume 2014, Article ID 926206, 7 pages
Research Article

Molecular Dynamics Simulation of Solidification of Pd-Ni Clusters with Different Nickel Content

School of Materials Science and Engineering, Harbin Institute of Technology at Weihai, 2 Wenhuaxi Road, Weihai 264209, China

Received 17 May 2013; Accepted 5 December 2013; Published 6 February 2014

Academic Editor: Martha Guerrero

Copyright © 2014 Chen Gang et al. 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.


Molecular dynamics simulation has been performed for investigating the glass transition of Pd-Ni alloy nanoparticles in the solidification process. The results showed that the Pd-Ni nanoparticles with composition far from pure metal should form amorphous structure more easily, which is in accordance with the results of the thermodynamic calculation. There are some regular and distorted fivefold symmetry in the amorphous Pd-Ni alloy nanoparticles. The nanoclusters with bigger difference value between formation enthalpies of solutions and glasses will transform to glass more easily than the other Pd-Ni alloy nanoclusters.