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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Back to functional hydrides: Effects of neutron-irradiated microstructure on hydrogen retention in yttrium hydride

Functional hydrides are promising candidates for advanced nuclear reactors, particularly in portable or transportable applications, due to their high hydrogen-retention capabilities, enabling efficient neutron moderation, and compact reactor design. However, hydrogen mobility in hydrides at elevated irradiation temperatures poses significant technological challenges, necessitating a comprehensive understanding of their irradiation behavior. Furthermore, this study investigated the microstructural and chemical stability of neutron-irradiated yttrium hydrides to assess their hydrogen-retention capacity. A targeted literature review was also conducted to contextualize neutron-irradiation effects on functional hydrides with regards to structural stability and hydrogen retention. Experimental characterizations revealed that, at high temperatures, irradiated hydrides retained their phase stability, which was likely enhanced by irradiation-induced microstructure evolution. Notably, an amorphous yttrium and oxygen -rich surface layer was present at the free surface of the hydride. Its thickness decreased while a continuous crystalline Y-O-rich layer was formed with increasing neutron damage. Additionally, the number density of dislocation loops and cavities generally increased as a function of neutron dose. First-principles calculations of hydrogen behavior within yttrium vacancy clusters in yttrium hydrides demonstrated vacancy-size-dependent hydrogen stability and configuration, highlighting the role of vacancy geometry in regulating hydrogen retention. Thus, the presence of irradiation-induced dislocation loops and cavities were hypothesized to improve hydrogen retention. Collectively, these findings advance the understanding of hydride behavior under neutron irradiation as well as their technological readiness for portable or transportable nuclear reactors.

Defect clusters↗
DOE OSTI2022

Metal Hydride Compressor for High-Pressure (875 bar) Hydrogen Delivery

Metal hydride hydrogen compression utilizes a reversible heat-driven interaction of a hydride-forming metal alloy with hydrogen gas. This paper reports on the development of a laboratory scale two-stage Metal Hydride Compressor (MHC) system with a feed pressure of 150 bar delivering high purity H2 gas at outlet pressures up to 875 bar. Stage 1 and stage 2 AB 2 metal hydrides are identified based on experimental characterization of the pressure-composition-temperature (PCT) behavior of candidate materials. The selected metal hydrides are each combined with expanded natural graphite, increasing the thermal conductivity of the composites by an order of magnitude. These composites are integrated in two compressor beds with internal heat exchangers that alternate between hydrogenation and dehydrogenation cycles by thermally cycling between 20 °C and 150 °C. The prototype compressor achieved compression of hydrogen from 150 bar to 700 bar with an average flow rate of 33.6 g/hr.

08 HYDROGEN↗
NASA NTRS1976

Heat transfer analysis of metal hydrides in metal-hydrogen secondary batteries

The heat transfer between a metal-hydrogen secondary battery and a hydrogen-storing metal hydride was studied. Temperature profiles of the endothermic metal hydrides and the metal-hydrogen battery were obtained during discharging of the batteries assuming an adiabatic system. Two hydride materials were considered in two physical arrangements within the battery system. In one case the hydride is positioned in a thin annular region about the battery stack; in the other the hydride is held in a tube down the center of the stack. The results show that for a typical 20 ampere-hour battery system with lanthanum pentanickel hydride as the hydrogen reservoir the system could perform successfully.

Onischak, M.↗
NASA NTRS2005

The Fuel Cell Powered Club Car Carryall

The NASA Glenn Research Center initiated development of the Fuel Cell Powered Club Car Carryall as a way to reduce pollution in industrial settings, reduce fossil fuel consumption and reduce operating costs for transportation systems. The Club Car Carryall provides an inexpensive approach to advance the state of the art in electric vehicle technology in a practical application. The project transfers space technology to terrestrial use via non-traditional partners, and provides power system data valuable for future aeronautics and space applications. The work was done under the Hybrid Power Management (HPM) Program. The Carryall is a state of the art, dedicated, electric utility vehicle. Hydrogen powered proton exchange membrane (PEM) fuel cells are the primary power source. Ultracapacitors were used for energy storage as long life, maintenance free operation, and excellent low temperature performance is essential. Metal hydride hydrogen storage was used to store hydrogen in a safe and efficient low-pressure solid form. The report concludes that the Fuel Cell Powered Club Car Carryall can provide excellent performance, and that the implementation of fuel cells in conjunction with ultracapacitors in the power system can provide significant reliability and performance improvements.

Eichenberg, Dennis J.↗
DOE OSTI2024

Material analysis of metal hydrides for bulk hydrogen storage

The United States Department of Energy (DOE) Hydrogen Storage Engineering Center of Excellence (HSECoE), 2009–2014, was established to evaluate the viability of material-based hydrogen storage for light duty vehicles. The HSECoE concluded that there were no metal hydrides that simultaneously met the DOE targets for gravimetric and volumetric capacity, and rate of onboard refueling. However, it was noted by the DOE that potential applications existed for stationary hydrogen storage systems. An application of particular interest is using a metal-hydride to store a hydrogen supply for fuel cell backup power to a 5 MWe data center. A generalized numerical model that coupled mass and energy conservation, chemical kinetics and thermodynamics was developed to simulate the discharge process for a given metal-hydride. The model was applied to an interstitial and a complex metal-hydride. In conclusion, it was found that the interstitial metal-hydride, which is discharged by a pressure swing is preferrable in a practical sense to the complex metal-hydride, which requires a temperature swing discharge process.

08 HYDROGEN↗
DOE OSTI2022

In-Situ Spatial Mapping of Hydrogen in Yttrium Hydrides at LANSCE

This report summarizes the neutron imaging techniques and experimental activities performed at the Los Alamos Neutron Science Center (LANSCE) with the main goal of measuring temperature driven hydrogen diffusion within bulk-yttrium hydride (YH x ) materials. The experimental results and technique developments reported herein support the US Department of Energy Office of Nuclear Energy’s (DOE-NE) Microreactor Program under Technology Maturation. In particular, the critical need to experimentally validate and verify hydrogen-diffusion models of metal hydrides used in hightemperature microreactor designs is addressed by means of high-spatial-resolution neutron imaging coupled with custom-built and application-specific furnaces. These capabilities were designed to apply large temperature gradients across centimeter-sized YH x pellets to simulate conditions faced in the microreactor environment. Neutron imaging, combined with in-situ sample heating, enables near real-time tracking of hydrogen diffusion in YH x on the sub-millimeter scale. In this report, an overview of neutron imaging methodology and technologies are given in the context of recent spatial measures of hydrogen concentrations in similar metals hydrides. Additionally, the commissioning and operation of a custom-built compact dual-zone furnace is given along with details on the first two in-situ heating measurements of YH x performed over the 2020 and 2021 LANSCE operation cycles. In parallel with in-situ heating measurements, neutron computed tomography scans were performed to visualize hydrogen aggregates in post-heated YH x samples. Analysis and results from these neutron imaging measurements are given along with outlooks and plans for improving future hydrogen diffusion measurements at LANSCE.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

In-Situ Spatial Mapping of Hydrogen in Yttrium Hydrides at LANSCE (FY23 Version, Rev. 1)

This report summarizes the development of neutron imaging capabilities and experimental activities performed at the Los Alamos Neutron Science Center (LANSCE) with the main goal of measuring temperature-driven hydrogen diffusion within bulk-yttrium hydride (YH x ) materials. Yttrium hydride is the leading candidate to serve as a solid neutron moderator in microreactor cores, owing to its high density of hydrogen atoms as well as its superior thermal stability compared to all other metal hydrides. The experimental results and technique developments reported herein support the U.S. Department of Energy Office of Nuclear Energy’s (DOE-NE) Microreactor Program under Technology Maturation. In particular, it addresses the critical need to experimentally validate and verify hydrogen-diffusion models of metal hydrides used in high-temperature microreactor designs by means of high-spatial-resolution neutron imaging. These capabilities were designed to apply large temperature gradients across centimeter-sized YH x pellets to simulate conditions faced in the microreactor environment. In principle, neutron imaging, combined with in-situ sample heating, enables near real-time tracking of hydrogen diffusion in YH x on the sub-millimeter scale. In this report, an overview of neutron imaging methodology and technologies are given in the context of recent spatial measures of hydrogen concentrations in similar metal hydrides. Additionally, the commissioning and operation of a custom-built compact dual-zone furnace is given along with details on three in-situ heating measurements of YH x performed over the 2020 to 2022 LANSCE operation cycles. The aims of these experiments ranged from furnace commissioning, determining sample quality, i.e., hydrogen uniformity via neutron computed tomography, and studying the effects of applied temperature-gradients on YH x pellets. Analyses and results from these neutron imaging measurements are given along with outlooks and guidelines for optimal future hydrogen diffusion measurements. Our conclusions are as follows. Image analyses indicate that centimeter-sized yttrium hydride cylindrical pellets exhibit uniform, whole-body hydrogen desorption and absorption without clear temperature dependence as reflected in the image attenuation at the opposing ends of each sample. This suggests that despite the large magnitude in temperature gradients applied by the furnace heating elements, the sample equilibrates to an unknown intermediate temperature. The origin of this result is likely the combination of short sample length (∼1cm) and use of a TZM can for containment where the latter created a thermal short across the sample. Nevertheless, the results from the most recent measurements indicate that neither significant concentration gradients of hydrogen were formed in centimeter-sized samples through the entire temperature range (25 °C to 950 °C) nor any formed due to temperature gradients on the order of 50 °C/cm up to 700 °C/cm. Furthermore, images from the FY2021 and FY2022 measurements indicate that samples of YH x , fabricated from either the direct hydride or powder metallurgy methods, are highly uniform in their hydrogen concentration to within the measurements’ spatial resolutions. The following questions arise from these latest results: 1) What is the intermediate temperature of the pellets in the TZM cans? 2) How quickly does the temperature equilibrate within the sample? and, 3) Do the observed changes in image attenuation follow known pressure-composition-temperature relations of yttrium hydride?

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Inelastic neutron scattering evidence for anomalous H–H distances in metal hydrides

Hydrogen-containing materials are of basic as well as technological interest. An outstanding question for both is the amount of hydrogen that can be incorporated in such materials, because that determines dramatically their physical properties such as electronic and crystalline structure. The number of hydrogen atoms in a metal is controlled by the interaction of hydrogens with the metal and by the hydrogen–hydrogen interactions. It is well established that the minimal possible hydrogen–hydrogen distances in conventional metal hydrides are around 2.1 Å under ambient conditions, although closer H–H distances are possible for materials under high pressure. We introduce inelastic neutron scattering measurements on hydrogen in Z r V 2 H x showing nonexpected scattering at low-energy transfer. The analysis of the spectra reveals that these spectral features in part originate from hydrogen vibrations confined by neighboring hydrogen at distances as short as 1.6 Å. These distances are much smaller than those found in related hydrides, thereby violating the so-called Switendick criterion. The results have implications for the design and creation of hydrides with additional properties and applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Efficient Iridium Catalysts for Formic Acid Dehydrogenation: Investigating the Electronic Effect on the Elementary β-Hydride Elimination and Hydrogen Formation Steps

We report herein a series of Cp*Ir complexes containing a rigid 8-aminoquinolinesulfonamide moiety as highly efficient catalysts for the dehydrogenation of formic acid (FA). The complex [Cp*Ir(L)Cl] (HL = N-(quinolin-8-yl)benzenesulfonamide) displayed a high turnover frequency (TOF) of 2.97 × 10 4 h –1 and a good stability (>100 h) at 60 °C. Comparative studies of [Cp*Ir(L)Cl] with the rigid ligand and [Cp*Ir(L')Cl] (HL' = N-propylpypridine-2-sulfonamide) without the rigid aminoquinoline moiety demonstrated that the 8-aminoquinoline moiety could dramatically enhance the stability of the catalyst. The electron-donating ability of the N,N'-chelating ligand was tuned by functionalizing the phenyl group of the L ligand with OMe, Cl, and CF 3 to have a systematical perturbation of the electronic structure of [Cp*Ir(L)Cl]. Experimental kinetic studies and density functional theory (DFT) calculations on this series of Cp*Ir complexes revealed that (i) the electron-donating groups enhance the hydrogen formation step while slowing down the β-hydride elimination and (ii) the electron-withdrawing groups display the opposite effect on these reaction steps, which in turn leads to lower optimum pH for catalytic activity compared to the electron-donating groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Controlled Release of Hydrogen Isotopes from Hydride-Magnetic Nanomaterials

In this work, hydrogen isotopes in the form of protium and deuterium were rapidly desorbed from magnetic-hydride iron oxide-palladium (Fe 2 O 3 -Pd) hybrid nanomaterials using an alternating magnetic field (AMF). Palladium, a hydride material with a well-known hydrogen isotope effect, was deposited on Fe 2 O 3 magnetic nanoparticle support by solution chemistries and used as a hydrogen isotope storage component. The morphological, structural, optical, and magnetic studies reveal that the Fe 2 O 3 -Pd nanoparticles (NPs) are hybrid structures exhibiting both hydrogen isotope storage (Pd) and magnetic (Fe 2 O 3 ) properties. The hydrogen isotope sorption/desorption behavior of metal hydride-magnetic nanomaterials was assessed by isothermal pressure-composition response curves (isotherms). The amount and rate of hydrogen isotope gas release was tuned by simply adjusting the strength of the magnetic field strength applied. Protium and deuterium displayed a similar loading capacity, namely H/M 0.55 and H/M=0.45, but different plateau pressures. Significant differences in the kinetics of release for protium and deuterium during magnetic heating were observed. A series of magnetically induced charge-discharge cycling experiments were conducted showing that this is a highly reproducible and robust process

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Elucidating Primary Degradation Mechanisms in High-Cycling-Capacity, Compositionally Tunable High-Entropy Hydrides

The hydrogen sorption properties of single-phase bcc (TiVNb) 100–x Cr x alloys (x = 0–35) are reported. All alloys absorb hydrogen quickly at 25 °C, forming fcc hydrides with storage capacity depending on the Cr content. Here, a thermodynamic destabilization of the fcc hydride is observed with increasing Cr concentration, which agrees well with previous compositional machine learning models for metal hydride thermodynamics. The steric effect or repulsive interactions between Cr–H might be responsible for this behavior. The cycling performances of the TiVNbCr alloy show an initial decrease in capacity, which cannot be explained by a structural change. Pair distribution function analysis of the total X-ray scattering on the first and last cycled hydrides demonstrated an average random fcc structure without lattice distortion at short-range order. If the as-cast alloy contains a very low density of defects, the first hydrogen absorption introduces dislocations and vacancies that cumulate into small vacancy clusters, as revealed by positron annihilation spectroscopy. Finally, the main reason for the capacity drop seems to be due to dislocations formed during cycling, while the presence of vacancy clusters might be related to the lattice relaxation. Having identified the major contribution to the capacity loss, compositional modifications to the TiVNbCr system can now be explored that minimize defect formation and maximize material cycling performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

A novel hydride phase in hydrogen charged Ti3Al

The effect of internal hydrogen on the microstructural modification of Ti3Al (alpha-2) compound was studied by large-angle neutron scattering and TEM. Ti-25 at. pct Al (Ti3Al) specimens were exposed to gaseous hydrogen atmosphere at 600 C that resulted in internal hydrogen concentration of 2000 ppm. The hydrogen-charged alloy consisted of a mixture of alpha-2 phase and a novel Ti3AlH phase with the E2(1), (Pm3m) crystal structure. The lattice parameters and atomic arrangement of the Ti3AlH phase were determined.

Schwartz, D. S.↗
NASA NTRS1984

Hydrogen storage in the form of metal hydrides

Reversible reactions between hydrogen and such materials as iron/titanium and magnesium/ nickel alloy may provide a means for storing hydrogen fuel. A demonstration model of an iron/titanium hydride storage bed is described. Hydrogen from the hydride storage bed powers a converted gasoline electric generator.

Zwanziger, M. G.↗
DOE OSTI2023

Report on Hydrogen Content Measurements of Yttrium Hydrides

This report describes the hydrogen content measurements of yttrium samples as irradiated at Advanced Test Reactor as part of the Microreactor Program. Irradiated samples were prepared at the facilities of Analytical Research Laboratory (ARL) of Materials and Fuels Complex (MFC). Hydrogen content measurements were performed on reduced size specimens using an inert gas fusion analyzer. For a single sample, replicate samples were prepared and tested to improve statistics of results. Uncertainty analyses were conducted using two approaches to determine the hydrogen content variations in the samples. Hydrogen content of irradiated specimens were both lower and higher than the expected values, indicating stoichiometry variations. Hydrogen was detected in all samples, even for the cracked capsule’s specimens. Results also suggested a potential hydrogen redistribution is present between samples inside the capsules.

08 HYDROGEN↗
DOE OSTI2025

Nanoconfinement of High Hydrogen-to-Metal Ratio Lanthanum Hydrides in Functionalized Carbon Hosts

Metal hydrides with a high hydrogen content are important for materials-based hydrogen storage and high-temperature superconductivity. Nanoconfinement of metal hydrides in porous hosts is a promising strategy to tune the thermodynamic stability and control the hydrogen-to-metal ratio. However, lanthanum hydride (LaH x ) nanoconfinement in porous materials has been limited due to the challenges associated with isolating and stabilizing nanoparticles of La or La-hydrides. Here we successfully demonstrated the chemical reduction of La­(III) salts to La(0), and subsequent infiltration into pure CMK-3 and nitrogen-doped CMK-3 (NCMK-3) porous carbons. Transmission electron microscopy measurements revealed a uniform distribution of LaH x species within the carbon hosts, while X-ray absorption and photoelectron spectroscopy provided detailed information about the local chemical environment. Sieverts measurements indicate that LaH x @NCMK-3 could desorb up to 0.75 wt % hydrogen, which is higher than non-nitrogen-functionalized CMK-3 (0.43 wt % H). Density Functional Theory and ab initio molecular dynamics calculations indicate that host–guest interaction energies are favorable for porous carbon with nitrogen defects, which is supported by experimental evidence. Moreover, high-pressure synchrotron X-ray diffraction measurements were conducted using a diamond anvil cell up to 60 GPa and reveal that the nitrogen-functionalized nanoporous carbon host favors the formation of higher H:La ratios in the presence of ammonia borane compared to the pure CMK-3 host. This approach could serve as a suitable platform for developing nanoscale superconducting materials at lower pressures and temperatures compared to bulk.

Shivanna, Mohana↗
DOE OSTI2024

Hydrogen transport in yttrium hydride under asymmetric heat

Metal hydrides are a promising moderator material for high temperature fission reactors. Yttrium hydride can be loaded to a high hydrogen density with relatively high hydrogen stability at temperatures up to 800°C. This makes yttrium hydride a potential moderator material for microreactors as foreseen in the fission surface power program. However, during the operation of such advanced reactors temperature gradients are expected which can change the local hydrogen density in the moderator. Hydrogen diffusion in metals is driven by a concentration gradient (Fick’s law) and thermal diffusion (Soret diffusion). Thermal diffusion is the transport of hydrogen, or other species, due to a temperature gradient. For example, hydrogen might migrate from the hot side of a sample to the cold side of a sample. Measuring Fickian diffusion is achieved through various permeation or absorption experiments, however measuring thermal diffusion is challenging and has rarely been performed. The Hydrogen Experimental Apparatus for Thermal Diffusion (HEATD) experiment is designed to induce thermal diffusion in samples and quench those samples so that the hydrogen distribution can be analyzed using hot vacuum extraction (HVE). One side of the sample was heated to a high temperature e.g., 800°C, while the other side of the sample is at a lower temperature. The sample was held under the applied temperature gradient for a given time until the anticipated hydrogen diffusion has occurred. The actual time depends depend on the sample composition and hydrogen concentration. The results from HVE showed that thermal diffusion took place in the specimen and the Soret coefficient was calculated.

36 MATERIALS SCIENCE↗