Cluster/dislocation interactions in dilute aluminum-based solid solutions

Abstract

The influence of single solute atoms and solute clusters on an extended edge dislocation dipole in Al was studied by atomistic simulation. Single Cu and Ag solute/dislocation interaction energy calculations showed that Cu interacts strongly with an Al extended dislocation and prefers sites in the compressive region, in agreement with elasticity theory predictions. Single Ag atoms, however, are strongly repelled by an Al extended dislocation, in contrast with elasticity theory predictions. Monte Carlo simulations of Al: 1% Cu, Al: 2% Cu, Al: 1% Ag, Al: 0.5% Cu, 0.5% Ag, and Al: 0.75% Cu, 0.25% Ag were carried out in the presence of an extended dislocation dipole at 600 K allowing for solute segregation. Cu atoms in the binary alloys were observed to segregate to the compressive regions of the extended dislocation dipole, forming widespread “atmospheres” over the width of both extended dislocations which did not affect the partial dislocation spacing. Ag in the binary alloy formed small Ag zones which also had little influence on the spacing between the partials. The ternary systems, however, exhibited highly localized solute clusters that had a large impact on the extended dislocation dipole structure, increasing the separation between the partial dislocations. The resulting cluster structures are discussed along with their influence on the apparent stacking fault energy of the alloy systems.