ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Role of the local structure on the hydrogen reaction pathway of high entropy alloys
Abstract: Among several materials currently proposed for safe and efficient solid-state hydrogen storage, alloys and intermetallics are some of the most promising candidates due to high volumetric capacities and chemical tuneability. We are currently studying the bcc TiZrNbHfV1-xTax (x = 0, 0.25, 0.5, 0.75 and 1) high entropy alloys forming high-capacity hydrides. Despite the same initial bcc lattice and close chemical composition (80%), the phase transition pathway during the reaction with gaseous H is different: H absorption in the TiZrNbHfV alloy occurs in a one-step reaction directly forming a dihydride, while when V is even partially substituted by Ta in TiZrNbHfV1-xTax that induces a two-step transformation via an intermediate monohydride. It is unclear which parameters influence this phase transformation: electronic properties, local structure, or lattice strain. Thus, we propose to clarify here the local structure in the various deuteride phases in this series of alloys by ex-situ total neutron scattering and associated PDF analysis. This will help in understanding the reaction pathway with hydrogen/deuterium at local level and improving the design of high-capacity materials.
Principal Investigator: Dr Claudia Zlotea
Experimenter: Miss Faye Greaves
Local Contact: Professor Paul Henry
Experimenter: Dr Patrick Cullen
DOI: 10.5286/ISIS.E.RB2420105
ISIS Experiment Number: RB2420105
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2420105-1 | POLARIS | 27 March 2028 | Download |
| - | POLARIS | 11 October 2028 | Download |
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
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Data Citation
The recommended format for citing this dataset in a research
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[author], [date], [title], [publisher],
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For Example:
Dr Claudia Zlotea et al; (2025): Role of the local structure on the hydrogen reaction pathway of high entropy alloys, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2420105
Data is released under the CC-BY-4.0 license.
