High temperature elastic properties of sub-stoichiometric yttrium dihydrides

Khanolkar, Amey; Cinbiz, Mahmut N.; Yu, Jianguo; Hu, Xunxiang

doi:10.1016/j.mtcomm.2023.105879

High temperature elastic properties of sub-stoichiometric yttrium dihydrides

Journal Article · Sat Mar 25 00:00:00 EDT 2023 · Materials Today Communications

DOI:https://doi.org/10.1016/j.mtcomm.2023.105879· OSTI ID:1983609

^[1]; Cinbiz, Mahmut N. ^[1]; Yu, Jianguo ^[1]; Hu, Xunxiang ^[1]

Idaho National Laboratory (INL), Idaho Falls, ID (United States)

Yttrium hydrides are considered as candidate materials for neutron moderation applied in microreactors (akin transportable tiny nuclear reactors) owing to their superior thermal stability and hydrogen retention. The evolution of elastic properties of these materials at elevated temperatures, needed for predicting the thermomechanical response and performance of the moderator during in-service reactor conditions, however, is lacking. Here, we report the Young’s and shear elastic moduli of three stoichiometries of bulk yttrium hydride (YH_x, x = 1.61, 1.82, and 1.84) from room temperature to 1000°C. In situ temperature-dependent measurements of the longitudinal and shear wave velocities were performed using a laser ultrasonic technique while heating the sample in a vacuum-pumped heating stage. The elastic moduli increased linearly with increasing hydrogen content and decreased by ~10% during heating from room temperature to 1000°C in the three YH_x compositions. The linear relationship between the elastic moduli and the hydrogen content in yttrium hydride was verified by atomistic calculations based on density functional theory (DFT). The absence of abrupt changes in the temperature-dependent measurements of elastic modulus of the YH_x samples suggested negligible loss of hydrogen at elevated temperatures. Excellent agreement was found between the measured and calculated dependence of the elastic moduli on the stoichiometry, thereby providing a new approach for investigating the effects of fabrication-induced parameters (such as porosity) on the elastic moduli. Furthermore, this study demonstrates the utility of the combined approach involving DFT-based atomistic calculations and measurements of the elastic moduli for the informative development of metal hydrides and can be used as a metric for novel moderator materials investigations for emerging microreactors and beyond.

View Accepted Manuscript (DOE)

Research Organization:: Idaho National Laboratory (INL), Idaho Falls, ID (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC07-05ID14517

OSTI ID:: 1983609

Report Number(s):: INL/JOU-22-70670-Rev000

Journal Information:: Materials Today Communications, Journal Name: Materials Today Communications Journal Issue: - Vol. 35; ISSN 2352-4928

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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