Analysis of Pd-Ni Nanobelts Melting Process Using Molecular Dynamics SimulationReport as inadecuate

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Journal of NanomaterialsVolume 2013 2013, Article ID 486527, 7 pages

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

Received 29 August 2013; Revised 8 October 2013; Accepted 8 October 2013

Academic Editor: Amir Kajbafvala

Copyright © 2013 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.


The melting process of Pd-Ni alloy nanobelts with different Ni atom content has been simulated by molecular dynamic MD method. The radial distribution function, the Lindemann index, and pair analysis method were used to characterize Pd-Ni nanobelt models in simulation. The results indicate that the melting temperature of Pd-Ni nanobelt with composition far from pure metal was lower than that of other models, and the breaking point of the nanobelt can be illustrated by the Lindemann index. Pair analysis indicates that the number of FCC pairs will decrease and almost disappear at melting point with increasing temperature. The melting points of Pd-Ni alloy nanobelts were also calculated by thermodynamic method, and the results were close to that obtained by MD simulation.

Author: Chen Gang, Zhang Peng, and Liu HongWei



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