Some theoretical and computational aspects in grain boundaries and triple lines

Harmonic expansion is a useful tool to analyze the CSL triple junction distribution in a randomly oriented polycrystalline aggregate. By using this approach, a general form of the CSL triple junction distribution could be derived. It makes it possible to calculate—in a very efficient way—the frequency of occurrence of various CSL triple junctions. The accuracy of calculation is confirmed by the estimated frequency for the 1- 1- 1 junctions, which turns out to be in very good agreement with its theoretical value as derived from fully analytical calculation. C 2005 Springer Science + Business Media, Inc.