2024-03-29T00:35:30Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/955132021-10-01T10:44:37Zcom_10261_89com_10261_3col_10261_342
Statistical analysis of stretched aluminum nanowires
Abad, Enrique
González, Carlos
Martínez, José I.
Flores, Fernando
Ortega, José
Ministerio de Ciencia e Innovación (España)
Annealing
Aluminum
Metal nanowires
Density functional theory
Conductance histogram
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. © 2014 Springer Science+Business Media Dordrecht.
2014-04-15T07:54:55Z
2014-04-15T07:54:55Z
2014
2014-04-15T07:54:55Z
artículo
Journal of Nanoparticle Research 16: 2262 (2014)
http://hdl.handle.net/10261/95513
10.1007/s11051-014-2262-0
http://dx.doi.org/10.13039/501100004837
eng
S2009/MAT-1467/NANOOBJETOS
closedAccess
Springer