| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Materials for Sustainable Hydrogen Energy
|
| Presentation Title |
Influence of lattice volume on the hydride stability of Al-Ti-V-Cr-Nb bcc-structured multicomponent alloys |
| Author(s) |
Renato Belli Strozi, Ricardo Floriano, Walter José Botta, Guilherme Zepon |
| On-Site Speaker (Planned) |
Renato Belli Strozi |
| Abstract Scope |
The influence of composition on the hydrogen sorption thermodynamic properties of (TiVNb)100-xCrx and TixNb80-xAl10Cr10 multi-principal element metal hydrides (MPEA-MHs) was investigated. The CALPHAD method was employed to design single-phase body-centered cubic (BCC) solid solutions. Experimental measurements showed that compositional changes impact the M-H reaction. Within increasing the Cr/(TiVNb) ratio, a significant increase in the plateau pressure and a thermodynamic destabilization of the hydride phase was observed, while the lattice volume decreased. Conversely, for the TixNb80-xAl10Cr10 system, the contraction of the host metal lattice (increasing Ti) is accompanied by a reduction in the equilibrium plateau pressure and an increment in the plateau enthalpies. These findings were confirmed through first-principles calculations based on density functional theory (DFT). Thus, in this work, we discuss the role of electronic structure in modulating the thermodynamics of MPEA-MHs and the correlation between the stability of the metal hydride with the BCC lattice volume. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Energy Conversion and Storage, High-Entropy Alloys, Other |