Abstract
The internal energy of symmetrical high angle tilt boundaries with an 〈001〉 axis has been calculated using a potential for aluminium. The computer program used permits relaxations involving rigid translations parallel and perpendicular to the boundary as well as individual atom rearrangements, subject to overall conservation of volume. The calculated energy was found to vary by a factor of about two for coincidence boundaries with 5 ⩽ Σ ⩽ 41 but did not depend simply on the size of the boundary period. The condition for low energy configurations appears to require a translation of the adjacent grains away from the coincidence position to a state where characteristic interlocking groups of closely packed atoms occur in the boundaries.
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