The relationship between grain boundary structure and segregation was elucidated for a  = 5/(310) tilt grain boundary at 850K. The binding free energy of segregation at certain sites in the |C| and |C'| structures was calculated by using the overlapping distribution Monte Carlo method. The segregation free energy profiles for the |C| and |C'| structures were very different. The adsorptive capacity for solute of the |C| and |C'| tilt grain boundary structures was compared with that of a  = 5/(002) twist grain boundary at temperatures of between 850 and 1650K.

J.D.Rittner, D.Udler, D.N.Seidman, Y.Oh: Physical Review Letters, 1995, 74[7], 1115-8