How Atomic Bonding Plays the Hardness Behavior in the Al–Co–Cr–Cu–Fe–Ni High Entropy Family

Fantin, Andrea; Lepore, Giovanni O.; Widom, Michael; Kasatikov, Sergey; Manzoni, Anna M.

doi:10.1002/smsc.202300225

Title: How Atomic Bonding Plays the Hardness Behavior in the Al–Co–Cr–Cu–Fe–Ni High Entropy Family

Journal Article · 07 December 2023 · Small Science

DOI: https://doi.org/10.1002/smsc.202300225 · OSTI ID:2267549

^[1]; Lepore, Giovanni O. ^[2]; Widom, Michael ^[3]; Kasatikov, Sergey ^[4]; Manzoni, Anna M. ^[5]

Federal Institute of Materials Research and Testing (BAM), Berlin (Germany); Helmholtz-Zentrum Berlin (HZB), (Germany)
Univ. of Florence (Italy)
Carnegie Mellon Univ., Pittsburgh, PA (United States)
Helmholtz-Zentrum Berlin (HZB), (Germany)
Federal Institute of Materials Research and Testing (BAM), Berlin (Germany)

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.

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Research Organization:: Carnegie Mellon Univ., Pittsburgh, PA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0014506; AC02-05CH11231; BES-ERCAP24744

OSTI ID:: 2267549

Journal Information:: Small Science, Vol. 4, Issue 2; ISSN 2688-4046

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Title: How Atomic Bonding Plays the Hardness Behavior in the Al–Co–Cr–Cu–Fe–Ni High Entropy Family

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