Microstructure and Hydrogen Permeability of Nb-Ni-Ti-Zr-Co High Entropy Alloys

Abstract

Hydrogen separation membranes are one of the most promising technologies for hydrogen purification. The development of high-entropy alloys (HEAs) for hydrogen separation membranes is driven by a "cocktail effect" of elements with different hydrogen affinities to prevent hydride formation and retain high permeability due to the single-phase BCC structure. In this paper, equimolar and non-equimolar Nb-Ni-Ti-Zr-Co high entropy alloys were fabricated by arc melting. The microstructure and phase composition of the alloys were analyzed by scanning electron microscopy and X-ray diffraction, respectively. The hydrogen permeation experiments were performed at 300-500 °C and a hydrogen pressure of 4 bar. In order to estimate the effect of composition and lattice structure on hydrogen location and diffusivity in Nb-Ni-Ti-Zr-Co alloy, ab initio calculations of hydrogen binding energy were performed using virtual crystal approximation. It was found that Nb-enriched and near equimolar BCC phases were formed in Nb₂₀Ni₂₀Ti₂₀Zr₂₀Co₂₀ HEA while Nb-enriched BCC and B2-Ni(Ti, Zr) were formed in Nb₄₀Ni₂₅Ti₁₈Zr₁₂Co₅ alloy. Hydrogen permeability tests showed that Nb₂₀Ni₂₀Ti₂₀Zr₂₀Co₂₀ HEA shows lower activation energy and higher permeability at lower temperatures as well as higher resistance to hydrogen embrittlement compared to Nb₄₀Ni₂₅Ti₁₈Zr₁₂Co₅ alloy. The effect of composition, microstructure and hydrogen binding energies on permeability of the fabricated alloys was discussed.