7 papers
Reentrant layering in rare gas adsorption: preroughening or premelting?
F. Celestini, D. Passerone, F. Ercolessi +1
The reentrant layering transitions found in rare gas adsorption on solid substrates have conflictually been explained either in terms of preroughening (PR), or of top layer melting…
DOF phase separation of the Lennard-Jones fcc(111) surface
C. S. Jayanthi, Franck Celestini, Furio Ercolessi +1
Recent lattice model calculations have suggested that a full-layered crystal surface may undergo, under canonical (particle-conserving) conditions, a preroughening-driven two-dimen…
Variable Curvature Slab Molecular Dynamics as a Method to Determine Surface Stress
Daniele Passerone, Erio Tosatti, Guido L. Chiarotti +1
A thin plate or slab, prepared so that opposite faces have different surface stresses, will bend as a result of the stress difference. We have developed a classical molecular dynam…
Non-Crystalline Structures of Ultra-Thin Unsupported Nanowires
Oguz Gulseren, Furio Ercolessi, Erio Tosatti
Computer simulations suggest that ultrathin metal wires should develop exotic, non-crystalline stable atomic structures, once their diameter decreases below a critical size of the…
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…