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Journal of Nanomaterials
Volume 2008, Article ID 361464, 9 pages
Research Article

Statistical Molecular Dynamics Study of (111) and (100) Ni Nanocontacts: Evidences of Pentagonal Nanowires

1Departamento de Física de la Materia Condensada, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid, Spain
2Centro de Física, Instituto Venezolano de Investigaciones Científicas Altos de Pipe, 1020-A Caracas, Venezuela
3Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, c/ Sor Juana Inés de la Cruz 3, Cantoblanco, 28049 Madrid, Spain

Received 21 September 2007; Accepted 11 January 2008

Academic Editor: Jun Lou

Copyright © 2008 P. García-Mochales 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.


We present molecular dynamics calculations on the evolution of Ni nanowires stretched along the (111) and (100) directions, and at two different temperatures. Using a methodology similar to that required to build experimental conductance histograms, we construct minimum crosssection histograms . These histograms are useful to understand the type of favorable atomic configurations appearing during the nanowire breakage. We have found that minimum crosssection histograms obtained for (111) and (100) stretching directions are rather different. When the nanowire is stretched along the (111) direction, monomer and dimer-like configurations appear, giving rise to well-defined peaks in . On the contrary, (100) nanowire stretching presents a different breaking pattern. In particular, we have found, with high probability, the formation of staggered pentagonal nanowires, as it has been reported for other metallic species.