Atomic configurations of breaking nanocontacts of aluminium and nickel

P. Garcia-Mochales, P. A. Serena, C. Guerrero, E. Medina, A. Hasmy

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

5 Citas (Scopus)


A statistical study of favourable atomic configurations of aluminium and nickel nanocontacts during their fracture at 4 K and 300 K was performed. Nanowire breaking events are simulated by using molecular dynamics (MD), the atomic interactions being represented by the state-of-the-art embedded atom method (EAM) interatomic potentials, which are able to fit bulk and surface properties with a high degree of accuracy. A complete determination of atomic positions during the contact allows evaluation of the evolution of the minimum-cross section Sm during stretching. By accumulating S m traces, obtained from many independent fractures of nanowires, minimum cross-section histograms H(Sm) were built. These simulated histograms reveal the presence of preferential geometrical arrangements during the breaking of the nanocontact and allow a direct comparison with experimental conductance histograms. In particular, aluminium histograms show a remarkable agreement between conductance and minimum cross-section peaks. However for Ni, the interpretation of experimental conductance peaks is more difficult due to the presence of magnetic effects and the possible presence of contaminants.

Idioma originalInglés
Páginas (desde-hasta)413-419
Número de páginas7
PublicaciónMaterials Science- Poland
EstadoPublicada - 2005
Publicado de forma externa


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