Atomistic model of type-II twin boundary AITranslate

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DOI：https://doi.org/10.1016/j.commatsci.2010.06.041

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{2 3 1} Type-II twin boundary in orthorhombic 2H structure is modelled by using of Finnis–Sinclair many-body interatomic potentials. All found types of boundary configurations can be described in terms of continuity of {1 2 1} planes, which cross the twin boundary. It is found that both faceted and non-faceted structures of boundary are possible, but faceted structure of boundary has the smallest energy.