Hrem Investigation of the Structure of the Σ5(210)/[001] Symmetric Tilt Grain Boundaries in Nb.

Abstract

AbstractWe have simulated the atomic structures of the Σ 5 (210)/[001 ] symmetric tilt grain boundary using interatomic potentials for Nb developed employing the embedded atom method (EAM) and the model generalized pseudopotential theory (MGPT). These potentials do not predict the same lowest energy structure for the Σ 5 (210)/[001]. Using the ultra high vacuum diffusion bonding process, we have fabricated Σ 5 (210)/[001] bicrystals. The samples have been observed using high resolution electron microscopy and the observed images have been compared with those simulated based on the structures predicted theoretically. The experimental result for the Σ 5 (210)/[001] is in close agreement with the structure predicted using the EAM.