Fantin, A.; Lepore, G.O.; Widom, M.; Kasatikov, S.; Manzoni, A.M.: How Atomic Bonding Plays the Hardness Behavior in the Al-Co-Cr-Cu-Fe-Ni High Entropy Family. Small Science 4 (2024), p. 2300225/1-12
10.1002/smsc.202300225
Open Access Version
Abstract:
A systematic study on a face-centered cubic-based compositionally complex alloy system Al–Co–Cr–Cu–Fe–Ni in its single-phase state is carried out, where a mother senary compound Al8Co17Cr17Cu8Fe17Ni33 and five of its suballoys, obtained by removing one element at a time, are investigated and exhaustively analyzed determining the contribution of each alloying element in the solid solution. The senary and the quinaries are compared using experimental techniques including X-ray absorption spectroscopy, X-ray diffraction, transmission electron microscopy, and first principles hybrid Monte Carlo/molecular dynamics simulations. Chemical short-range order and bond length distances have been determined both at the experimental and computational level. Electronic structure and local atomic distortions up to 5.2 Å have been correlated to the microhardness values. A linear regression model connecting hardness with local lattice distortions is presented.