Shear response of ⟨110⟩ asymmetric tilt grain boundaries in BCC-Fe

J Veerababu and A Nagesha and V Shankar, PHYSICA SCRIPTA, 99, 085973 (2024).

DOI: 10.1088/1402-4896/ad621a

The present study investigated the effect of shear load on the 110 asymmetric tilt grain boundaries of body-centered cubic iron with molecular dynamics simulations. Various mechanisms like grain boundary (GB) sliding, shear-coupled migration, GB migration with rotation, GB decomposition, and GB deformation with dislocations emission were observed. Low-angle tilt GBs migrated with the help of two dislocation mechanisms, gliding and climbing. Two types of twin nucleation mechanisms were noticed in high-angle tilt GBs with varying tilt angles (eta). For 16 degrees <= eta <= 112 degrees and eta >= 130 degrees cases, dynamic self-adjustment of the atoms at the GBs caused GBs decomposition with the formation of twin boundaries (TBs). Newly nucleated TBs migrated under further applied shear load. For 112 degrees < eta < 130 degrees case, TBs nucleated from the GB on either side of the misfit dislocations due to their localized core structure on the GB plane.

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