We present results of atomistic simulations of the interaction between self interstitial atoms and vacancies with edge dislocations in BCC iron. The calculations are carried out using molecular dynamics with an energy minimization scheme based on the quasi-Newton approach and use the Finnis-Sinclair interatomic potential for BCC iron developed by Ackland et al. Large anisotropy in the strain field of self interstitials is observed and it causes strong interaction with edge dislocations even when the defect is located on the dislocation glide plane. For vacancies, the relaxation volume is smaller and much more isotropic, which results in a far weaker interaction with the dislocation. A temperature dependent capture radius for vacancies and self interstitials is extracted from the simulations. The difference between the capture radii of vacancies and self interstitials is used to define the sink strength of the dislocation. Large deviations are observed from the predictions of elasticity based on treating point defects as isotropic dilatational centers. Further, the capture radius of edge dislocations in BCC iron is observed to be small and is of the order of 1–3 nm for self interstitials.
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April 1999
Technical Papers
The Interaction Between Point Defects and Edge Dislocation in BCC Iron
Vijay Shastry,
Vijay Shastry
Chemistry and Materials Science Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94551
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Tomas Diaz de la Rubia
Tomas Diaz de la Rubia
Chemistry and Materials Science Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94551
Search for other works by this author on:
Vijay Shastry
Chemistry and Materials Science Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94551
Tomas Diaz de la Rubia
Chemistry and Materials Science Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94551
J. Eng. Mater. Technol. Apr 1999, 121(2): 126-128 (3 pages)
Published Online: April 1, 1999
Article history
Received:
October 3, 1998
Revised:
November 16, 1998
Online:
November 27, 2007
Citation
Shastry, V., and Diaz de la Rubia, T. (April 1, 1999). "The Interaction Between Point Defects and Edge Dislocation in BCC Iron." ASME. J. Eng. Mater. Technol. April 1999; 121(2): 126–128. https://doi.org/10.1115/1.2812356
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