Dislocation constriction and cross-slip: An ab initio study

Gang Lu, Vasily V. Bulatov, and Nicholas Kioussis
Phys. Rev. B 66, 144103 – Published 9 October 2002
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Abstract

A model based on the Peierls framework of dislocations is developed. The theory allows the study of dislocations spreading at more than one slip planes. As an example, we study dislocation cross-slip and constriction processes in two contrasting fcc metals, Al and Ag. The energetic parameters entering the model are determined from ab initio calculations. We find that the screw dislocation in Al can cross-slip spontaneously in contrast with the screw dislocation in Ag, which splits into partials and cannot cross-slip without first being constricted. The response of the dislocations to an external stress is examined in detail. We determine the dislocation constriction energy and the critical stress for cross-slip, and from the latter, we estimate the cross-slip energy barrier for the straight screw dislocations.

  • Received 10 June 2002

DOI:https://doi.org/10.1103/PhysRevB.66.144103

©2002 American Physical Society

Authors & Affiliations

Gang Lu1, Vasily V. Bulatov2, and Nicholas Kioussis3

  • 1Department of Physics and Division of Engineering and Applied Science, Harvard University, Cambridge, Massachusetts 02138
  • 2Lawrence Livermore National Laboratory, Livermore, California 94550
  • 3Department of Physics, California State University Northridge, Northridge, California 91330

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Issue

Vol. 66, Iss. 14 — 1 October 2002

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