Abstract
Many deformation features of symmetric tilt grain boundaries (STGBs) in BCC (Body-Centered Cubic)-Fe must be addressed. The present atomistic study focused on the tensile and compressive deformation characteristics of various low-angle STGBs in BCC- Fe. A competition between slip and twinning with changes in the Rotaion-axis, misorientation angle (θ ̊), and loading mode was noticed. Two major deformation mechanisms were observed: namely, dislocation dissociation nucleation and heterogeneous dislocation nucleation. The 001-STGBs deformed through slip followed by twinning in tension and a slip in compression. The 110-STGBs, on the other hand, are deformed by twinning under tension and compression. However, they shifted to a slip mode under compression for θ > 15 ̊. The 111 and 112-STGBs deformed through the slip in both tension and compression. Each of these STGBs dissociated into two new low-angle STGBs for θ ≤ 15 ̊. C structural units were identified as the precursors for the slip. A positive linear correlation was obtained between grain boundary energy and effective free volume per unit area.
Published Version
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