Fig. 2: Evolution of energy and local chemical SRO in the MoNbTaW RHEA. | npj Computational Materials

Fig. 2: Evolution of energy and local chemical SRO in the MoNbTaW RHEA.

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

Fig. 2

a Potential energy change vs. SRO parameter during the MC relaxation. Three states (s1, s2, s3) with different levels of SRO as indicated by red arrows were chosen for calculations of the dislocation cores and Peierls potentials. b The detailed values of \({\mathrm{\Delta }}\delta _{ij}\) for all atom pairs. The red lines and dots represent state s3 with SRO and the dashed lines represent the ideal random solid solution case.

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