The structures and energies of symmetrical boundaries, in the body-centered cubic structure, were investigated by using molecular mechanics techniques and a Finnis-Sinclair embedded atom potential. Relaxation was permitted to occur perpendicular to or parallel to the boundary. The boundaries had a -value of between 3 and 33 tilted about <011>, a -value of 5 tilted about <001>, or a -value of 7 tilted about <111>. Various types of stable and metastable structure were present in these boundaries. The energies of grain boundaries with lower -values (3, 5, 7) were lower than those with higher -values (19a, 27a, 33a). The grain boundary energy was appreciably decreased by a relative displacement of the 2 crystals in the direction parallel to the boundary. The boundary energies which were calculated by using the present potential were some 20% higher than those which were calculated by using a Wolf-Johnson potential.

R.Watanabe, A.Nogami, T.Matsumiya: Materials Science Forum, 1996, 204-206, 227-32