Disclination-structural unit model of grain boundaries

Abstract

Abstract On the basis of a critical analysis of Li's disclination model of large-angle boundaries, the disclination-structural unit model is developed, combining both the atomistic and the mesoscopic levels of description of the grain-boundary structure. The curve of energy against misorientation angle for symmetrical [001] tilt boundaries in aluminium has been obtained and this agrees well with the experimental data and computer simulation results.