Statistical Molecular Dynamics Study of (111) and (100) Ni Nanocontacts: Evidences of Pentagonal Nanowires
Joint Authors
Paredes, R.
Peláez, S.
Serena, P. A.
García-Mochales, P.
Source
Issue
Vol. 2008, Issue 2008 (31 Dec. 2008), pp.1-9, 9 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2008-02-11
Country of Publication
Egypt
No. of Pages
9
Main Subjects
Abstract EN
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 H(Sm).
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 H(Sm).
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.
American Psychological Association (APA)
García-Mochales, P.& Paredes, R.& Peláez, S.& Serena, P. A.. 2008. Statistical Molecular Dynamics Study of (111) and (100) Ni Nanocontacts: Evidences of Pentagonal Nanowires. Journal of Nanomaterials،Vol. 2008, no. 2008, pp.1-9.
https://search.emarefa.net/detail/BIM-988094
Modern Language Association (MLA)
García-Mochales, P.…[et al.]. Statistical Molecular Dynamics Study of (111) and (100) Ni Nanocontacts: Evidences of Pentagonal Nanowires. Journal of Nanomaterials No. 2008 (2008), pp.1-9.
https://search.emarefa.net/detail/BIM-988094
American Medical Association (AMA)
García-Mochales, P.& Paredes, R.& Peláez, S.& Serena, P. A.. Statistical Molecular Dynamics Study of (111) and (100) Ni Nanocontacts: Evidences of Pentagonal Nanowires. Journal of Nanomaterials. 2008. Vol. 2008, no. 2008, pp.1-9.
https://search.emarefa.net/detail/BIM-988094
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-988094