The structures of symmetrical tilt grain boundaries and antiphase boundaries in the β-phase were investigated by means of classical molecular dynamics simulations, using the Tersoff potential. A structural unit model was used to classify the possible interface structures. Structures and energies were given for <001> tilt grain boundaries with an angular range of 0° to 53.15°, and for <110> grain boundaries with tilt angles ranging

from 0° to 70.53°. It was found that, among the <110> boundaries, those which contained antiphase boundaries were the most stable ones in the intermediate angle range.

Atomistic Modelling of Structures of Tilt Grain Boundaries and Antiphase Boundaries in β-Silicon Carbide. C.Kohler: Physica Status Solidi B, 2002, 234[2], 522-40