A Modified Approach to the Modelling of Grain Boundary Structure in Materials with an Hexagonal Crystal Structure

Abstract

AbstractThe CCSL approach for modelling dislocation configurations in high-angle grain boundaries of hexagonal materials has been re-examined. It has been shown that this model implies the existence of long range strain in both crystals and that the strain energy which would be involved makes the formation of such structures unlikely. It has been proposed that alternative methods could be developed which make no assumptions about the nature of any reference structure adopted by a boundary. If the Burgers vectors of interfacial dislocations are obtained using Pond's symmetry theory of interfacial defects and the arrangement of these defects determined using an ‘0’ lattice approach then the structure of grain boundaries may be modelled irrespective of the nature of the “reference structures”.