Fig. 2 | npj Computational Materials

Fig. 2

From: Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

Fig. 2

Peierls potential at T = 0 K and zero applied stress. The Peierls potential is shown as computed with the NEB method in the PAD configuration (black line). The Peierls potential computed using DFT in the quadrupolar cell is shown for comparison (red squares), and computations with GAP in the same quadrupolar configuration are also plotted (red line), as reported by ref. 21

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