Cross-slip process in model Ni(Al) solid solution: An embedded-atom method study

JP Du and CY Wang and T Yu, COMPUTATIONAL MATERIALS SCIENCE, 91, 192-199 (2014).

DOI: 10.1016/j.commatsci.2014.04.063

The cross-slip process of a screw dislocation in model Ni(Al) random solid solution is studied using the climbing image nudged elastic band method with an embedded-atom method potential. The average stacking fault energy of model Ni(Al) solid solution decreases with increasing Al concentration from 0 to 10 at.%. However, the average activation energy under zero stress shows an initial increase and then plateaus with increasing concentration of Al. The excess activation energy is determined by comparing with results from linear-elastic continuum theory. The short-range repulsive solute atom pair and its interaction with the dislocation provide the excess activation energy in the cross- slip process of model Ni(Al) solid solution. (C) 2014 Elsevier B.V. All rights reserved.

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