Atomistic model of type-II twin boundary
A Ostapovets, COMPUTATIONAL MATERIALS SCIENCE, 49, 882-887 (2010).
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. (C) 2010 Elsevier B.V. All rights reserved.
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