The impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloys

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Angelo F. Andreoli - , Universidade Federal de São Carlos (Author)
  • Andrea Fantin - , Federal Institute for Materials Research and Testing Berlin, Helmholtz Centre Berlin for Materials and Energy (Author)
  • Sergey Kasatikov - , Helmholtz Centre Berlin for Materials and Energy (Author)
  • Vinícius P. Bacurau - , Universidade Federal de São Carlos (Author)
  • Michael Widom - , Carnegie Mellon University (Author)
  • Piter Gargarella - , Universidade Federal de São Carlos (Author)
  • Eric M. Mazzer - , Universidade Federal de São Carlos (Author)
  • Thomas G. Woodcock - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Kornelius Nielsch - , Chair of Metallic Materials and Metal Physics, Leibniz Institute for Solid State and Materials Research Dresden, TUD Dresden University of Technology (Author)
  • Francisco G. Coury - , Universidade Federal de São Carlos (Author)

Abstract

The unusual behavior observed in the coefficient of thermal expansion and specific heat capacity of CrFeNi, CoCrNi, and CoCrFeNi medium/high-entropy alloys is commonly referred to as the K-state effect. It is shown to be independent of the Curie temperature, as demonstrated by temperature-dependent magnetic moment measurements. CoCrFeNi alloy is chosen for detailed characterization; potential reasons for the K-state effect such as texture, recrystallization, and second-phase precipitation are ruled out. An examination of the electronic structure indicates the formation of a pseudo-gap in the Density of States, which suggests a specific chemical interaction between Ni and Cr atoms upon alloying. Hybrid Monte Carlo/Molecular Dynamic (MC/MD) simulations indicate the presence of non-negligible chemical short-range order (CSRO). Local lattice distortions are shown to be negligible, although deviations around Cr and Ni elements from those expected in a fully disordered structure are experimentally observed by X-ray absorption spectroscopy. The determined bonding distances are in good agreement with MC/MD calculations. A mechanism is proposed to explain the anomalies and calorimetric experiments and their results are used to validate the mechanism.

Details

Original languageEnglish
Article number112724
JournalMaterials and Design
Volume238
Publication statusPublished - Feb 2024
Peer-reviewedYes

Keywords

Keywords

  • Chemical short-range order, Differential scanning calorimetry, Dilatometry, High-entropy alloys, Order-disorder effects