Fig. 9: Thermal expansion and Gibbs free energy difference. | npj Computational Materials

Fig. 9: Thermal expansion and Gibbs free energy difference.

From: Non-collinear magnetic atomic cluster expansion for iron

Fig. 9

Lattice thermal expansion for bcc and fcc phases predicted by ACE in comparison to experimental and theoretical results (a); GAP68, Exp. 169, MSLP18, Exp. 253. Gibbs free energy difference between bcc and fcc phases as a function of temperature for both ACE and CALPHAD70 (b). Vertical green and red dashed lines indicate ACE and experimental transition temperatures53.

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