Fig. 9 | npj Computational Materials

Fig. 9

From: Mechanical properties of Fe-rich Si alloy from Hamiltonian

Fig. 9

Interaction energy between a straight screw dislocation and substitutional solute Si calculated based on EAM potentials;41 a distribution of the interaction energy with respect to the position of Si atom in the x-z plane. The dislocation is located perpendicular to this plane. b distribution of the interaction energy with respect to the position of Si atom in x-direction for z=0, where x: \([1\bar{1}\bar{2}]\) and z:\([\bar{1}\bar{1}0]\) of bcc-Fe, respectively. The dislocation line and Burgers vector b are along y \([1\bar{1}1]\)

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