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Unified framework for dislocation-based defect energetics
Authors:J. M. Rickman   Jorge Vi?als  R. Lesar
Affiliation:1. Department of Materials Science and Engineering , Lehigh University , Bethlehem, PA 18015, USA;2. McGill Institute for Advanced Materials and Department of Physics , 3600 University St, Montreal, QC H3A 2T8, Canada;3. Theoretical Division , Los Alamos National Laboratory , Los Alamos, NM 87545, USA
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.
Keywords:
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