5 papers
Electronic Properties of Ultra-Thin Aluminum Nanowires
F. Di Tolla, A. Dal Corso, J. A. Torres +1
We have carried out first principles electronic structure and total energy calculations for a series of ultrathin aluminum nanowires, based on structures obtained by relaxing the m…
The Puzzling Stability of Monatomic Gold Wires
J. A. Torres, E. Tosatti, A. Dal Corso +4
We have examined theoretically the spontaneous thinning process of tip-suspended nanowires, and subsequently studied the structure and stability of the monatomic gold wires recentl…
Atomic-scale modeling of the deformation of nanocrystalline metals
J. Schiøtz, T. Vegge, K. W. Jacobsen
Nanocrystalline metals, i.e. metals with grain sizes from 5 to 50 nm, display technologically interesting properties, such as dramatically increased hardness, increasing with decre…
Role of Layering Oscillations at Liquid Metal Surfaces in Bulk Recrystallization and Surface Melting
Orio Tomagnini, Furio Ercolessi, Simonetta Iarlori +2
The contrasting melting behavior of different surface orientations in metals can be explained in terms of a repulsive or attractive effective interaction between the solid-liquid a…
Maximum Overheating and Partial Wetting of Nonmelting Solid Surfaces
Francesco D. Di Tolla, Furio Ercolessi, Erio Tosatti
Surfaces which do not exhibit surface melting below the melting point (nonmelting surfaces) have been recently observed to sustain a very large amount of overheating. We present a…