The temperature dependences of relaxation and segregation in the vicinity of a  = 5 (210)[001] tilt grain boundary of the L12 binary alloy were investigated by means of computer simulation, using an empirical N-body potential. Energy minimization was used to estimate especially strong relaxation effects in the vicinity of the boundary plane at 0K. Monte Carlo simulations showed that the vicinity of the boundary remained strongly affected by atomic relaxation and segregation at all temperatures. However, no simple relationship was found between relaxation and segregation. The evolution of long-range order and sub-lattice occupancy was markedly different close to the boundary and in the bulk. The boundary plane was fully disordered at temperatures which were between 20 and 150% of the bulk order-disorder transition temperature.

M.El Azzaoui, M.Hou: Journal of Physics - Condensed Matter, 1996, 8[37], 6833-49