Abstract
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.
- Received 28 January 1993
DOI:https://doi.org/10.1103/PhysRevB.47.13636
©1993 American Physical Society