Fig. 7: Ab initio-computed relaxed energy differences between bcc and hcp for the pseudoternary Tix(Zr0.5Hf0.5)y(Nb0.5Ta0.5)1−x−y alloys. | npj Computational Materials

Fig. 7: Ab initio-computed relaxed energy differences between bcc and hcp for the pseudoternary Tix(Zr0.5Hf0.5)y(Nb0.5Ta0.5)1−xy alloys.

From: Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys

Fig. 7

Compositions investigated experimentally in ref. 5 are shown by the circles. The thin gray dotted line shows the bcc–hcp equilibrium composition when the atoms are fixed to the ideal lattice sites (cf. Supplementary Fig. 8a). The two arrows highlight the impact of the relaxations. Visualization was performed using MPLTERN56.

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