Fig. 1
Screw dislocation core as function of an applied stress. Differential displacement maps at the dislocation core are shown for the 〈111〉-zone, as a function of the shear stress τ applied on the free surfaces. Circles represent atomic positions. Colors identify atomic positions in the pristine bcc crystal, for one periodic unit cell (length b) along the dislocation line direction Y, where yellow atoms are taken as reference (Y = 0), red atoms are in position b/3 and gray in position 2b/3. The arrows are normalized by b/3 with a length b/3 scaled to connect neighboring atoms. Arrows represent the displacement of atoms along [1̄11] in the relaxed screw field, computed with respect to the pristine bcc atomic positions
