Unified framework for dislocation-based defect energetics

Abstract

We present a unified framework for the calculation of dislocation-based defect energetics, and then validate this approach by considering both the self and interaction energies of combinations of grain boundaries and cracks. We obtain in a straightforward manner well-known quantities, such as the energy of a low-angle tilt boundary, as well as other lesser known results, including boundary/boundary and crack/boundary interaction energies, from a common formalism based on linear elasticity. This approach, in combination with simple dimensional analysis, permits the rapid calculation of defect energetics.

Acknowledgements

The authors would like to acknowledge many helpful discussion with Professor T. Delph and Mr. C. Lowe. J. Rickman would like to thank the National Science Foundation for its support under grant number DMR-9975384. This research has been supported, in part (J.V.), by the U.S. Department of Energy under contract No. DE-FG05-95ER14566. The work of R. LeSar was performed under the auspices of the United States Department of Energy (US DOE under contract W-7405-ENG-36) and was supported by the Division of Materials Science of the Office of Basic Energy Sciences of the Office of Science of the US DOE.