M.C. Gao

Senary refractory high entropy alloy MoNbTaTiVW

Abstract The design approach and validation of a single phase senary refractory high entropy alloy (HEA) MoNbTaTiVW was presented in the present study. The design approach was to combine phase diagram inspection of available binary and ternary systems and Calculation of Phase Diagrams prediction. Experiments using X-ray diffraction and scanning electron microscopy techniques verified a single phase microstructure in body centred cubic lattice for MoNbTaTiVW. The observed elemental segregation agrees well with the solidification prediction using the Scheil model. The lattice constant, density and microhardness were measured to be 0.3216 nm, 4.954 GPa and 11.70 g cm− 3 respectively. The atomic size difference, the Ω parameter, enthalpy of mixing and entropy of mixing for MoNbTaTiVW HEA are 3.1%, 11.1, − 3.4 kJ mol− 1 and +13.39 J K− 1 mol− 1 respectively.

Senary Refractory High-Entropy Alloy HfNbTaTiVZr

Discovery of new single-phase high-entropy alloys (HEAs) is important to understand HEA formation mechanisms. The present study reports computational design and experimental validation of a senary HEA, HfNbTaTiVZr, in a body-centered cubic structure. The phase diagrams and thermodynamic properties of this senary system were modeled using the CALPHAD method. Its atomic structure and diffusion constants were studied using ab initio molecular dynamics simulations. The microstructure of the as-cast HfNbTaTiVZr alloy was studied using X-ray diffraction and scanning electron microscopy, and the microsegregation in the as-cast state was found to qualitatively agree with the solidification predictions from CALPHAD. Supported by both simulation and experimental results, the HEA formation rules are discussed.