157 citations · 683 across the 10 of their papers we have counts for
9 papers
Melting and nonmelting of solid surfaces and nanosystems
U. Tartaglino, T. Zykova-Timan, F. Ercolessi +1
We present an extensive but concise review of our present understanding, largely based on theory and simulation work from our group, on the equilibrium behavior of solid surfaces a…
Surface molecular dynamics simulation with two orthogonal surface steps: how to beat the particle conservation problem
D. Passerone, U. Tartaglino, F. Ercolessi +1
Due to particle conservation, Canonical Molecular Dynamics (MD) simulations fail in the description of surface phase transitions involving coverage or lateral density changes. Howe…
Realistic simulations of Au(100): Grand Canonical Monte Carlo and Molecular Dynamics
D. Passerone, F. Ercolessi, F. Celestini +1
The large surface density changes associated with the (100) noble metals surface hex-reconstruction suggest the use of non-particle conserving simulation methods. We present an exa…
Islands, craters, and a moving surface step on a hexagonally reconstructed (100) noble metal surface
D. Passerone, F. Ercolessi, E. Tosatti
Deposition/removal of metal atoms on the hex reconstructed (100) surface of Au, Pt and Ir should present intriguing aspects, since a new island implies hex -> square deconstruction…
(Meta-)stable reconstructions of the diamond(111) surface: interplay between diamond- and graphite-like bonding
A. V. Petukhov, D. Passerone, F. Ercolessi +2
Off-lattice Grand Canonical Monte Carlo simulations of the clean diamond (111) surface, based on the effective many-body Brenner potential, yield the Pandey reconstruc…
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…