Fig. 5: Contours of Peierls valleys at three levels of SRO in the MoNbTaW supercell (no data for transition states is included). | npj Computational Materials

Fig. 5: Contours of Peierls valleys at three levels of SRO in the MoNbTaW supercell (no data for transition states is included).

From: Ab initio modeling of the energy landscape for screw dislocations in body-centered cubic high-entropy alloys

Fig. 5

a Random solid solution state s1 with minimum SRO. b State s2 with a medium level of SRO. c State s3 with the highest level of SRO. The relative positions of the dislocation dipole are projected on (111) plane and aligned in \(\bar 1\bar 12\) and \([1\bar 21]\) directions, as shown by the black dots on the right column figures. The left column contains the 3D contours and the right column shows the corresponding 2D projection. The contours were plotted by interpolating data points on grids through bivariate spline.

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