CU-PD MULTILAYERS - AN ATOMISTIC STRUCTURAL STUDY

The embedded-atom method (EAM) has been used to perform molecular-dynamics (MD) calculations of Cu/Pd multilayer films. In a recent publication, we presented our results on the elastic properties of these multilayers from our EAM-MD technique. In this paper we illustrate the simulation technique in detail. Comparisons are made with first-principles (local-density) calculations with respect to structural aspects of the multilayer. The local-density results follow trends similar to those seen in the EAM-MD approach. Various assumptions used in these calculations are critically examined.