STRUCTURAL UNIT/GRAIN BOUNDARY DISLOCATION MODEL FOR TWIST BOUNDARIES IN CUBIC CRYSTALS

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Abstract
The systematics of [001] twist boundary structure is presented formally in terms of a structural unit/grain boundary dislocation hierarchical model and the earlier model of Sutton is generalized. By comparison with experimental observation and atomistic calculation using pair-potential models the physical significance of the individual members of the hierarchy is determined. Comparison with experiment indicates a strong type primary relaxation for θ ≤ 36.9° and a significant secondary relaxation near Σ5 which must result from "oblique" perturbations in the array of primary GBD's. On the other hand, comparison with available calculated results indicates a strong type primary relaxation at low angles but a progressively weaker relaxation at higher angles. Also, no evidence is found for any significant secondary relaxations when at least one pair potential is employed. However, very recent studies indicate stronger secondary relaxations with other potentials, and this, in future work, should lead to better agreement between calculations and experiment

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