Atomistic simulation of self-diffusion in Al and Al alloys under electromigration conditions

Sen F. G., AYDINOL M. K.

JOURNAL OF APPLIED PHYSICS, vol.104, no.7, 2008 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 104 Issue: 7
  • Publication Date: 2008
  • Doi Number: 10.1063/1.2988140
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Middle East Technical University Affiliated: Yes


The effect of alloying elements on the self-diffusion behavior of Al under electromigration conditions was investigated using nonequilibrium molecular dynamics. The corresponding defect structures were also characterized energetically by Mott-Littleton approach. Pd, Cu, Mn, and Sn were found to be the most effective alloying elements that may retard the electromigration failure by increasing the activation energy for self-diffusion of Al. This increase in the activation energy is believed to be either because of the dragging effect that may be experienced in a coupled substitutional-vacancy defect structure or the energy penalty for the separation of this couple. (c) 2008 American Institute of Physics. [DOI:10.1063/1.2988140]