Crystal structure and bonding characteristics of transformation products of bcc β in Ti-Mo alloys

Large Destabilization of (TiVNb)-Based Hydrides via (Al, Mo) Addition: Insights from Experiments and Data-Driven Models

“…Similar volume contraction with Mo addition has been reported elsewhere, e.g., Ti 0.30 V 0.25 Zr 0.10 Nb 0.25 Mo 0.10 and Ti 0.20 Zr 0.20 Hf 0.20 Mo 0.40 . Additionally, the formation of the bcc structure in Al 0.05 (TiVNb) 0.95– x Mo x ( x = 0.05, 0.10) can be explained by the stabilizing effect of Mo, Nb, and V on the bcc phase when alloyed with Ti (hcp-Ti at RT and bcc-Ti in the molten state above 832 °C) as reported for some traditional bcc alloys , and HEAs . Also, Al acts as a bcc stabilizer as was earlier proven for similar compositions like Al x NbTiMoV …”

“…Nonetheless, further control in tuning the thermodynamics of the hydride formation (i.e., increasing the phase change/plateau pressure by reducing the enthalpy of desorption or increasing the entropy of desorption) is desired to improve their practical use as hydrogen storage materials. Despite its low hydrogen affinity and relatively important weight, molybdenum (bcc structure) has a significant potential to stabilize the bcc phases , and consequently to destabilize the related hydrides . Shen et al reported an increase in gravimetric capacity using up to 10 atom % Mo in the Ti 0.20 Zr 0.20 Hf 0.20 Mo 0.10 Nb 0.30 composition (1.54 wt %) compared to Ti 0.20 Zr 0.20 Hf 0.20 Nb 0.40 (1.12 wt %), as well as a decrease in thermal stability (reduction in the desorption temperature) with increasing Mo content, which was attributed to the smaller cell volume and weaker H-metal bonding .…”

Atomic-scale investigation of hydrogen distribution in a Ti Mo alloy

“…For the as-homogenized single β Ti-Mo alloy, the hydrogen composition is up to ~15.0% in the matrix surrounding the H-agglomerations, and overall up to 30%. In the literature, first principles calculations [27][28][29] suggest that due to the smaller size of Mo relative to Ti, the lattice parameter of Ti-Mo alloys decreases with increasing amount of Mo. The lattice parameter reduced from ~ 0.3264 nm for a Ti-7Mo alloy to ~0.3248 nm for a Ti-16Mo alloy [29].…”

In situ alloying based laser powder bed fusion processing of β Ti–Mo alloy to fabricate functionally graded composites

“…The lattice parameters of orthorhombic α" phases were calculated based on the SAED patterns, with a, b and c of 3.07, 5.18 and 4.69 Å, respectively, which were close to those (a = 2.99, b = 5.05 and c = 4.67 Å) in the Inorganic Crystal Structure Database (No. 253845) [51]. The microstructure was composed of plate-like α" phases and thin β films between the α" plates (Fig.…”