3 papers
cond-mat.mtrl-sci2000
Roughening of close-packed singular surfaces
F. Trudu, V. Fiorentini, P. Ruggerone +1
An upper bound to the roughening temperature of a close-packed singular surface, fcc Al (111), is obtained via free energy calculations based on thermodynamic integration using the…
cond-mat.mtrl-sci1999
Quasi-harmonic vs. ``exact'' surface free energies of Al: a systematic study employing a new interatomic potential
U. Hansen, P. Vogl, V. Fiorentini
We discuss a computationally efficient classical many-body potential designed to model the Al-Al interaction in a wide range of bonding geometries. We show that the potential yield…
cond-mat.mtrl-sci1998
Atomistic modelling of large-scale metal film growth fronts
Uwe Hansen, Peter Vogl, Vincenzo Fiorentini
We present simulations of metallization morphologies under ionized sputter deposition conditions, obtained by a new theoretical approach. By means of molecular dynamics simulations…