High-pressure investigation of a series of refractory chemically complex alloys
Abstract
Bulk modulus is a fundamental property of matter that links volume reduction to compression. Despite its significance for practical applications, this parameter is rarely documented in the literature on chemically complex alloys. In this work, experimental assessment of bulk modulus in the series of bcc alloys TiVNb, (TiVNb)90Al10, (TiVNb)90Mo10, (TiVNb)90Al5Mo5 and (TiVNb)80Al10Mo10 is reported by in situ synchrotron X-ray diffraction (XRD) using a diamond anvil cell. Theoretical estimations based on the empirical rule of mixture (ROM) and density functional theory (DFT) modelling are also provided and compared to experimental findings. These values are in excellent agreement for TiVNb but diverge for alloys with larger elemental diversity (quaternary and quinary compositions). Experiments demonstrated that the addition of 10 at.% Al or Mo into TiVNb decreases the bulk modulus, while from ROM and DFT estimations only Al exhibits this behavior. These alloys have previously shown promising hydrogen storage properties. An attempt was therefore made to establish a correlation between the bulk modulus and the enthalpy of hydride formation. We conclude that further experimental studies are required to fully understand the impact of elastic properties on the design of chemically complex alloys for solid-state hydrogen energy storage.
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BibTeX
@article{pinedaromero2026highpressure,
title = {{High-pressure investigation of a series of refractory chemically complex alloys}},
author = {Nayely Pineda-Romero and Andrei Agafonov and Anna Celeste and Sanliang Ling and David M Grant and Martin Dornheim and Pierre Fertey and Paul Chauvigne and Nicolas Guignot and Francesco Capitani and Claudia Zlotea},
journal = {Journal of Alloys and Compounds},
year = {2026},
month = aug,
doi = {10.1016/j.jallcom.2026.190706},
url = {https://hal.science/hal-05735959v1},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - High-pressure investigation of a series of refractory chemically complex alloys
AU - Nayely Pineda-Romero
AU - Andrei Agafonov
AU - Anna Celeste
AU - Sanliang Ling
AU - David M Grant
AU - Martin Dornheim
AU - Pierre Fertey
AU - Paul Chauvigne
AU - Nicolas Guignot
AU - Francesco Capitani
AU - Claudia Zlotea
PY - 2026
DA - 2026/08/26
JO - Journal of Alloys and Compounds
DO - 10.1016/j.jallcom.2026.190706
UR - https://hal.science/hal-05735959v1
AB - Bulk modulus is a fundamental property of matter that links volume reduction to compression. Despite its significance for practical applications, this parameter is rarely documented in the literature on chemically complex alloys. In this work, experimental assessment of bulk modulus in the series of bcc alloys TiVNb, (TiVNb)90Al10, (TiVNb)90Mo10, (TiVNb)90Al5Mo5 and (TiVNb)80Al10Mo10 is reported by in situ synchrotron X-ray diffraction (XRD) using a diamond anvil cell. Theoretical estimations based on the empirical rule of mixture (ROM) and density functional theory (DFT) modelling are also provided and compared to experimental findings. These values are in excellent agreement for TiVNb but diverge for alloys with larger elemental diversity (quaternary and quinary compositions). Experiments demonstrated that the addition of 10 at.% Al or Mo into TiVNb decreases the bulk modulus, while from ROM and DFT estimations only Al exhibits this behavior. These alloys have previously shown promising hydrogen storage properties. An attempt was therefore made to establish a correlation between the bulk modulus and the enthalpy of hydride formation. We conclude that further experimental studies are required to fully understand the impact of elastic properties on the design of chemically complex alloys for solid-state hydrogen energy storage.
SN - 0925-8388
ER -