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.

ISIS Neutron and Muon Source

ISIS Neutron and Muon Data

Role of the local structure on the hydrogen reaction pathway of high entropy alloys

Data collected on the
POLARIS instrument
at the ISIS facility

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.

Public release date: 27 March 2028

Principal Investigator: Dr Claudia Zlotea
Experimenter: Miss Faye Greaves
Local Contact: Professor Paul Henry
Experimenter: Dr Patrick Cullen

DOI: 10.5286/ISIS.E.RB2420105-1

Parent DOI: 10.5286/ISIS.E.RB2420105

ISIS Experiment Number: RB2420105

Part Number: 1

This dataset is NOT yet publicly available.
The release date is: 27 March 2028

download
the dataset

Date of Experiment: 24 March 2025

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

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.RB2420105-1

Data is released under the CC-BY-4.0 license.