Fig. 2: Formation energies and relative stability of A15 clusters and interstitial dislocation loops in fcc metals.
From: Compact A15 Frank-Kasper nano-phases at the origin of dislocation loops in face-centred cubic metals
Subplots (a–c) provide the formation energies in Al, Cu, and Ni obtained in DFT calculations. Subplots (d, g, h) report the relative stability of A15 clusters with respect to the most stable dislocation loop family in each metal: \(\frac{1}{3}\langle 111\rangle\) in Al (d) and Ni (f), and \(\frac{1}{2}\langle 110\rangle\) in Cu (e). The negative energy difference in (d–f) indicates that A15 clusters are more stable than the 2D clusters. Light purple colour in (d–f) denotes the energy differences that take into account elastic corrections (see Supplementary Note 2 for more details); non-corrected energy differences are shown in dark purple.
