Statistical analysis of stretched aluminum nanowires

  • Enrique Abad
  • César González
  • José I. Martínez
  • Fernando Flores
  • José Ortega
Research Paper


We present a statistical analysis of the mechanical and transport properties of stretched Al nanowires. A molecular dynamics density functional theory is used in combination with annealing techniques to analyze a large amount of stretching processes and new realistic geometries. From these calculations, we generate a conductance histogram that is compared with the experimental evidence. New particular geometries appear frequently, and a correlation between these new structures and the peaks in the conductance histogram can be fairly established. In particular, at the first stages of the nanowire elongation, we find a configuration with Al–Al bonds oriented along the stretching direction that is related to the peak appearing at 3 G 0 in the conductance histogram. Besides, an Al–Al dimer is found in most of the cases at the nanowire neck in the last stage of the nanowire stretching, just before the breaking point; this configuration is reflected in the peak found in the conductance histogram at 1 G 0.


Density functional theory Metal nanowires Aluminum Annealing Conductance histogram Modeling and simulation 



Work supported by Spanish MICIIN (Grant FIS2010-16046) and CAM (Grant S2009/MAT-1467). EA acknowledges financial support by the CAM and FSE. JIM acknowledges funding from Spanish MICIIN and CSIC through “Juan de la Cierva” and “JaeDoc” fellowship Programs, respectively.


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Copyright information

© Springer Science+Business Media Dordrecht 2014

Authors and Affiliations

  • Enrique Abad
    • 1
  • César González
    • 2
  • José I. Martínez
    • 2
    • 3
  • Fernando Flores
    • 2
  • José Ortega
    • 2
  1. 1.Institute of Theoretical ChemistryUniversität StuttgartStuttgartGermany
  2. 2.Departamento de Física Teŕica de la Materia Condensada, Condensed Matter Physics Center (IFIMAC)Universidad Autónoma de MadridMadridSpain
  3. 3.Departamento de Superficies y RecubrimientosInstituto de Ciencia de Materiales de Madrid (CSIC)MadridSpain

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