The new method uses some of the probabilistic aspects of the Monte Carlo approach, as well as borrowing from Molecular Dynamics. All of these approaches try to describe the physical structure, on an atomic level, of a film surface. Atomic-scale events that occur during vapor deposition of the surface coating determine this structure. The surface structure influences the physical properties of the thin film including magnetic, optical, mechanical, electrical, magnetic and catalytic properties. Fichthorn, Vijaya Pidugu, post doctoral researcher in chemical engineering, and Steve Warakomski, graduate student in chemical engineering, are specifically looking at adsorption and surface diffusion of copper atoms on a copper substrate with a specified lattice structure.
Adsorption occurs when atoms from a gas land on the substrate and bind to the solid surface.
Surface diffusion is how the surface atoms move around on the thin film. The research is funded by the National Science Foundation. The program predicts on the fly, finding all the things that happen while it is operating. At this point, Fichthorn has determined that the simulation is fairly accurate. While the researchers are looking at copper atoms deposited on a copper lattice, most physical vapor deposition takes place with one type of atom on a different substrate.