Structure analysis (XRD and Neutrons) and hydrogen storage properties of Hf1-xTixNbVZr BCC high entropy alloys

The hydrogen storage properties of Hf1-xTixNbVZr high entropy alloys (HEAs) synthesized by arc melting have been investigated. The first hydrogenation of the alloys was performed at room temperature under 20 bars of hydrogen pressure. Results show an increase in gravimetric hydrogen content with Ti substitutions. Upon hydrogenation, the multiphase alloys (x = 0 and x = 0.25) exhibit a combination of faces-centred-cubic (FCC) hydride and C15 Laves phases, while single-phase alloys (x = 0.5, 0.75, and 1) display FCC structures. The crystal structure evolution during dehydrogenation of HfNbVZr (x = 0) and TiNbVZr (x = 1) HEAs was examined using in-situ neutron diffraction. The analysis demonstrates temperature-dependent desorption behaviour, with HfNbVZr displaying lower desorption temperatures compared to TiNbVZr. Additionally, in-situ neutron diffraction experiments during deuterium desorption indicate a two-step phase transition from FCC dihydride to BCT monohydride, followed by a transition to BCC.