Extended Data Fig. 8: GB free energies.
From: Observations of grain-boundary phase transformations in an elemental metal
a, GB free energies of domino and pearl phases as functions of temperature at zero bulk stress calculated using harmonic and quasi-harmonic approximations. b, The GB free energy difference γdomino − γpearl as a function of temperature decreases but remains positive suggesting that at ambient pressure the domino phase remains metastable in our model. These calculations are consistent with domino to pearl transformations simulated directly with MD. They also show that in the model the relative stability of the domino phase improves with temperature since the GB free energy difference decreases by about 30% relative to 0 K.
