COMPUTER SIMULATION OF TILT GRAIN BOUNDARY STRUCTURES IN B.C.C. METALS
V. Paidar · Le Journal de Physique Colloques · 1990
The atomic structures of symmetrical tilt grain boundaries in b.c.c. crystals were systematically studied. The polynomial interatomic potential leading to stable b.c.c. as well as close packed structures was used. The symmetrical atomic boundary configurations can be described as combinations of structural units of some special boundaries which are derived from the classification scheme [17]. However, an unexpected behaviour of the Σ11 {323} grain boundary was found. The low energy of the AB' structure of this boundary is related to the b.c.c.-h.c.p. transformation that initiates at the boundary and penetrates into both grains. It is shown that such properties of the {323} grain boundary could be verified experimentally in b.c.c. metals and alloys with high elastic anisotropy.