ATOMISTIC PROCESSES OF SURFACE AND INTERFACE FORMATION

Studies of atomistic mechanisms, energetics and dynamics of surface and interfacial processes using computer-based molecular dynamics simulations employing realistic interaction potentials, as well as coupled quantum electronic structure and nuclear dynamics, open new avenues in investigations of basic and technological problems. Recent results of such studies are discussed for: (a) vapor and molecular-beam epitaxial growth of amorphous silicon and metal-on-metal films, (b) surface premelting of metals and the dynamics of spreading of a solid gold nano-droplet on a nickel surface, and (c) adhesive contact and junction formation as a consequence of intermetallic tip-to-surface interactions.