We investigate the atomic-scale structures of high-sigma (Σ) tilt grain boundaries in aluminum using lattice statics calculations. In particular, we examine the efficacy of the structural unit model (SUM) in the context of long-period boundaries. Our investigation of both the equilibrium and metastable structures for certain high Σ boundaries may necessitate a revision of the SUM formalism. We also consider further departures from high symmetry boundaries by considering the structural rearrangements induced by steps on boundaries.

Additional Metadata
Conference Proceedings of the 1998 MRS Fall Meeting - The Symposium 'Advanced Catalytic Materials-1998'
Pawaskar, D.N. (D. N.), Miller, R, Bai, R. (R.), Schwartzman, A. (A.), Phillips, R. (R.), & Briant, C.L. (C. L.). (1999). Atomistic studies of generic tilt grain boundary structures. Materials Research Society Symposium - Proceedings, 383–388.