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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Density Functionals for Hydrogen Storage: Defining the H2Bind275 Test Set with Ab Initio Benchmarks and Assessment of 55 Functionals

Efficient and high-capacity storage materials are indispensable for a hydrogen-based economy. In silico tools can accelerate the process of discovery of new adsorbent materials with optimal hydrogen adsorption enthalpies. Density functional theory is well-poised to become a very useful tool for enabling high-throughput screening of potential materials. In this work, we have identified density functional approximations that provide good performance for hydrogen binding applications following a two-pronged approach. First, we have compiled a data set (H2Bind275) that comprehensively represents the hydrogen binding problem capturing the chemical and mechanistic diversity in the binding sites encountered in hydrogen storage materials. We have also computed reference interaction energies for this data set using coupled-cluster theory. Second, we have assessed the performance of 55 density functional approximations for predicting H 2 interaction energies and have identified two hybrid density functionals (ωB97X-V and ωB97M-V), two double hybrid density functionals (DSD-PBEPBE-D3(BJ) and PBE0-DH), and one semilocal density functional (B97M-V) as the best performing ones. We have recommended the addition of empirical dispersion corrections to systematically underbinding density functionals such as revPBE, BLYP, and B3LYP for improvements in performance at negligible additional cost. We have also recommended the usage of the def2-TZVPP basis set as it represents a good compromise between accuracy and cost, limiting the finite basis set errors to less than 1 kJ/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Capacity retention in hydrogen storage alloys

Results of our examination of the properties of several candidate materials for hydrogen storage electrodes and their relation to the decrease in H-storage capacity upon open-circuit storage over time are reported. In some of the alloy samples examined to date, only about 10 percent of the hydrogen capacity was lost upon storage for 20 days, while in others, this number was as high as 30 percent for the same period of time. This loss in capacity is attributed to two separate mechanisms: (1) hydrogen desorbed from the electrode due to pressure differences between the cell and the electrode sample; and (2) chemical and/or electrochemical degradation of the alloy electrode upon exposure to the cell environment. The former process is a direct consequence of the equilibrium dissociation pressure of the hydride alloy phase and the partial pressure of hydrogen in the hydride phase in equilibrium with that in the electrolyte environment, while the latter is related to the stability of the alloy phase in the cell environment. Comparison of the equilibrium gas-phase dissociation pressures of these alloys indicate that reversible loss of hydrogen capacity is higher in alloys with P(eqm) greater than 1 atm than in those with P(eqm) less than 1 atm.

Anani, A.↗
DOE OSTI2025

Underground Hydrogen Storage: Transforming Subsurface Science into Sustainable Energy Solutions

As the global economy moves toward net-zero carbon emissions, large-scale energy storage becomes essential to tackle the seasonal nature of renewable sources. Underground hydrogen storage (UHS) offers a feasible solution by allowing surplus renewable energy to be transformed into hydrogen and stored in deep geological formations such as aquifers, salt caverns, or depleted reservoirs, making it available for use on demand. This study thoroughly evaluates UHS concepts, procedures, and challenges. This paper analyzes the most recent breakthroughs in UHS technology and identifies special conditions needed for its successful application, including site selection guidelines, technical and geological factors, and the significance of storage characteristics. The integrity of wells and caprock, which is important for safe and efficient storage, can be affected by the operating dynamics of the hydrogen cycle, notably the fluctuations in pressure and stress within storage formations. To evaluate its potential for broader adoption, we also examined economic elements such as cost-effectiveness and the technical practicality of large-scale storage. We also reviewed current UHS efforts and identified key knowledge gaps, primarily in the areas of hydrogen–rock interactions, geochemistry, gas migration control, microbial activities, and geomechanical stability. Resolving these technological challenges, regulatory frameworks, and environmental sustainability are essential to UHS’s long-term and extensive integration into the energy industry. This article provides a roadmap for UHS research and development, emphasizing the need for further research to fully realize the technology’s promise as a pillar of the hydrogen economy.

25 ENERGY STORAGE↗
DOE OSTI2022

Large-scale Hydrogen Storage – Risk Assessment Seattle City Light and Port of Seattle [Abstract]

This CRADA presents the strategy that Pacific Northwest National Laboratory (PNNL) and Sandia National Laboratories (SNL) will take to support Seattle City Light (SCL), and the Port of Seattle (Port) in performing a risk assessment of large-scale hydrogen storage. Risk assessment is often used to ensure that adequate measures are taken to protect workers and the public, the environment, infrastructure, and assets. A detailed risk assessment can also be used to direct funding and upgrades, to specific components and sub-systems in order to mitigate risks to the larger system. In this way risk assessments are often employed as a part of a larger risk management strategy, with the goal of minimizing the occurrence of hazards and to identify means to limit their consequences. Risk assessment is often used to engage and inform regulators, and to communicate how specific regulations are being met. However, it is important to note that the proposed work is not intended for SCL and the Port to use in order to gain regulatory acceptance for their proposed activities. The work performed as a part of this effort will be a preliminary risk assessment for early-stage component and system designs and should be considered research and development (R&D). As such, the proposed work will be performed to a quality level and design maturity consistent with R&D and is not considered appropriate for final safety analysis and regulatory compliance purposes. Previous and on-going work at SCL and the Port demonstrated the utility of deploying hydrogen systems at the Port. The deployment of hydrogen at the Port is a part of a larger vision of using hydrogen to address a range of issues for SCL and the Port. These include large-scale fueling of MD/HD vehicles, cargo-handling equipment (CHE), and harbor vessels to reduce emissions; support of adjacent LD vehicles; support of critical port operations during extreme events (i.e., resiliency); deferral of more capital- and time-intensive electrical distribution system upgrades while still supporting evolving port operations and decarbonization efforts; facilitating electrification by establishing energy storage as a grid resource, starting at strategic port locations; creation of a flexible market resource that can be used by SCL to generate revenue via arbitrage; support of planned future maritime operations that involve heavy use of hydrogen for ocean-going vessels; and future end-use applications involving natural gas pipeline hydrogen injection. Ultimately, the success of these activities is underpinned by the deployed storage capacity. Large-scale deployment of hydrogen systems will require hydrogen storage at a scale that has not been demonstrated. In addition, the ideal location for such multi-use systems is near the end user which will often necessitate deploying into urban and/or industrial areas. A detailed risk assessment using the Port as a test case is necessary to ensure the deployment of large-scale hydrogen is successful. Many technologies have been proposed for hydrogen storage; however, these technologies need to be analyzed as they apply to an actual site. The physical infrastructure and hydrogen use cases for the Port will be analyzed, and a risk assessment for compressed hydrogen, liquified hydrogen, and Liquid Organic Hydrogen Carrier (LOHC) storage will be performed. These risk assessments will be useful for understanding how each of these technologies would perform in terms of facility and public safety. The operating states of the proposed hydrogen systems at the Port will be analyzed and incorporated into the storage risk assessment. Scalability will also be analyzed to understand how future port uses would affect the overall risk assessment. Finally, using the risk assessment as a tool to inform engagement and to gain stakeholder acceptance will be explored.

08 HYDROGEN↗
DOE OSTI2023

Activated magnesium boride materials for hydrogen storage

Some embodiments described herein provide for methods for synthesizing magnesium borohydride from hydrogenation of magnesium boride at moderate temperature and pressure in the presence of a modifier. The modifier may be in form of hydrides, liquid hydrogen carriers, ammonia borane, metallic species, croconate anion based materials, ethers, amines or imines, metal carbides, borides, graphene, arenes, magnesium, aluminum, calcium or ionic liquids. Some embodiments provide for charging magnesium boride in presence of a modifier at high pressure hydrogen while simultaneously heating the material. The modification in some instances may lead to an improved magnesium boride product with enhanced properties for application in other hydrogen storage systems.

Severa, Godwin↗
NASA NTRS2010

Glass Bubbles Insulation for Liquid Hydrogen Storage Tanks

A full-scale field application of glass bubbles insulation has been demonstrated in a 218,000 L liquid hydrogen storage tank. This work is the evolution of extensive materials testing, laboratory scale testing, and system studies leading to the use of glass bubbles insulation as a cost efficient and high performance alternative in cryogenic storage tanks of any size. The tank utilized is part of a rocket propulsion test complex at the NASA Stennis Space Center and is a 1960's vintage spherical double wall tank with an evacuated annulus. The original perlite that was removed from the annulus was in pristine condition and showed no signs of deterioration or compaction. Test results show a significant reduction in liquid hydrogen boiloff when compared to recent baseline data prior to removal of the perlite insulation. The data also validates the previous laboratory scale testing (1000 L) and full-scale numerical modeling (3,200,000 L) of boiloff in spherical cryogenic storage tanks. The performance of the tank will continue to be monitored during operation of the tank over the coming years.

Glass bubble↗
DOE OSTI2024

Large-scale Hydrogen Storage Risk Assessment

This project investigated risks involved in deploying a large-scale hydrogen storage system at the Port of Seattle (hereafter, the Port) for its on-terminal and maritime applications in an urban industrial setting. Alongside, the project attempted to address some of the barriers to risk assessment such as need for an exact system design for a systematic investigation, direct access to surrounding communities to gauge their perceptions, and an integrated software required to undertake a full-fledged risk assessment. These barriers were overcome using illustrative reference station designs, engaging with community-facing agencies through Port support, and pooling national laboratory capabilities available for risk assessments. The project identified relevant public safety risk metrics, compared various hydrogen carriers, engaged with community-facing agencies, and explored potential gaps in existing safety codes and standards. The primary impacts of this project include the development of risk assessment guidance for ports and utilities, informing them of the trade-offs in the choice of hydrogen carriers, and the ability to increase public capacity for dialog and engagement. This paves the way toward decarbonization of the Port activities, bringing about awareness around jobs in the market for risk assessments, and the need to ramp up community engagement long before any hydrogen system deployment is undertaken.

08 HYDROGEN↗
NASA NTRS1989

Evaluation of on-board hydrogen storage methods for hypersonic vehicles

Hydrogen is the foremost candidate as a fuel for use in high speed transport. Since any aircraft moving at hypersonic speeds must have a very slender body, means of decreasing the storage volume requirements below that for liquid hydrogen are needed. The total performance of the hypersonic plane needs to be considered for the evaluation of candidate fuel and storage systems. To accomplish this, a simple model for the performance of a hypersonic plane is presented. To allow for the use of different engines and fuels during different phases of flight, the total trajectory is divided into three phases: subsonic-supersonic, hypersonic and rocket propulsion phase. The fuel fraction for the first phase is found be a simple energy balance using an average thrust to drag ratio for this phase. The hypersonic flight phase is investigated in more detail by taking small altitude increments. This approach allowed the use of flight profiles other than the constant dynamic pressure flight. The effect of fuel volume on drag, structural mass and tankage mass was introduced through simplified equations involving the characteristic dimension of the plane. The propellant requirement for the last phase is found by employing the basic rocket equations. The candidate fuel systems such as the cryogenic fuel combinations and solid and liquid endothermic hydrogen generators are first screened thermodynamically with respect to their energy densities and cooling capacities and then evaluated using the above model.

Akyurtlu, Ates↗
DOE OSTI2023

Durable Low-Cost Pressure Vessels for Bulk Hydrogen Storage

Long-duration energy storage (LDES) in the form of gaseous hydrogen is vital for fossil fuel power plants to reduce frequent shutdowns and rapid start-ups. It's also crucial in renewable energy power plants for grid stabilization. WireTough Cylinders (WTC) has developed a Type II-S pressure vessel that uses steel liners that are hoop-wrapped with multiple layers of high-strength, cost-effective, and readily available steel wires. This design enables the vessel to withstand significantly higher pressures. It addresses hydrogen embrittlement issues and cyclic loading from repeated pressurization and depressurization during service. The WireTough design is cost-efficient, robust, and fatigue-resistant (with a 30-year design life) and is ASME certified for ground storage of hydrogen at a maximum operating pressure (MOP) of 350 bar and a design pressure of 500 bar. The cylinder has a 645 mm outside diameter and a water capacity of 1,715 liters, capable of storing 40.7 KG of hydrogen at MOP. Two prototypes were successfully produced to showcase the manufacturing technologies, with one being certified under ASME Section VIII Division 3 rules. Preliminary design work for a similar Type II-S vessel with a 500 bar MOP was also completed. The 350 bar and 500 bar Type II-S vessels were shown respectively to be 47.5% to 60% more cost-effective and 55% and 62.5% lighter based on per KG of hydrogen stored, when compared with their Type 1 counterparts.

08 HYDROGEN↗
NASA NTRS1994

Experimental Investigation of Jet-Induced Mixing of a Large Liquid Hydrogen Storage Tank

Experiments have been conducted to investigate the effect of fluid mixing on the depressurization of a large liquid hydrogen storage tank. The test tank is approximately ellipsoidal, having a volume of 4.89 m(exp 3) and an average wall heat flux of 4.2 W/m(exp 2) due to external heat input. A mixer unit was installed near the bottom of the tank to generate an upward directed axial jet flow normal to the liquid-vapor interface. Mixing tests were initiated after achieving thermally stratified conditions in the tank either by the introduction of hydrogen gas into the tank or by self-pressurization due to ambient heat leak through the tank wall. The subcooled liquid jet directed towards the liquid-vapor interface by the mixer induced vapor condensation and caused a reduction in tank pressure. Tests were conducted at two jet submergence depths for jet Reynolds numbers from 80,000 to 495,000 and Richardson numbers from 0.014 to 0.52. Results show that the rate of tank pressure change is controlled by the competing effects of subcooled jet flow and the free convection boundary layer flow due to external tank wall heating. It is shown that existing correlations for mixing time and vapor condensation rate based on small scale tanks may not be applicable to large scale liquid hydrogen systems.

Lin, C. S.↗
DOE OSTI2023

Liquid hydrogen storage system for heavy duty trucks: Configuration, performance, cost, and safety

In this work, we investigate the potential of liquid hydrogen storage (LH 2 ) on-board Class-8 heavy duty trucks to resolve many of the range, weight, volume, refueling time and cost issues associated with 350 or 700-bar compressed H 2 storage in Type-3 or Type-4 composite tanks. We present and discuss conceptual storage system configurations capable of supplying H 2 to fuel cells at 5-bar with or without on-board LH 2 pumps. Structural aspects of storing LH 2 in double walled, vacuum insulated, and low-pressure Type-1 tanks are investigated. Structural materials and insulation methods are discussed for service at cryogenic temperatures and mitigation of heat leak to prevent LH 2 boiloff. Failure modes of the liner and shell are identified and analyzed using the regulatory codes and detailed finite element (FE) methods. The conceptual systems are subjected to a Failure modes and effects analysis (FMEA) and a safety, codes, and standards (SCS) review to rank failures and identify safety gaps. The results indicate that the conceptual systems can reach 19.6% usable gravimetric capacity, 40.9 g-H 2 /L usable volumetric capacity and $174-183/kg-H 2 cost (2016 USD) when manufactured 100,000 systems annually.

08 HYDROGEN↗
DOE OSTI2023

Impact of nano-scale cavities on hydrogen storage and retention in yttrium hydride

Here, in situ synchrotron high-energy x-ray diffraction experiments and detailed transmission electron microscopy (TEM) characterization were conducted on as-fabricated and neutron-irradiated yttrium hydrides. The high-resolution synchrotron x-ray diffraction revealed minor α yttrium and major δ yttrium hydride phases in all specimens. Specimens were subject to heat treatments (heating-cooling cycles), and the intensity of α yttrium partially and completely disappeared in as-fabricated and neutron-irradiated specimens, respectively. The disappearance of α yttrium was unforeseen because hydrogen was expected to leave δ phase, causing an increase in α yttrium diffraction peak intensity. This observation indicated a surplus of hydrogen in the specimens where it was odd for hydride-forming early transition metal elements. The subsequent through-focus TEM characterization discovered nanometric cavities in both as-fabricated and neutron-irradiated yttrium hydride specimens for the first time. Two types of cavities were identified as fabrication-caused and irradiation-induced. The fabrication-caused cavities were associated with regions having linear deformation features, interfaces, and inclusions. The irradiation-induced cavities were observed as being formed isolated in the yttrium hydride phase. The presence of such nanometric cavities was considered as potential hydrogen storage pockets where the overall hydrogen storing capacity of yttrium hydride would be enhanced.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nanoscale Mg–B via Surfactant Ball Milling of MgB 2 : Morphology, Composition, and Improved Hydrogen Storage Properties

Metal borides have attracted the attention of researchers due to their useful physical properties and unique ability to form high hydrogen-capacity metal borohydrides. We demonstrate improved hydrogen storage properties of a nanoscale Mg–B material made by surfactant ball milling MgB 2 in a mixture of heptane, oleic acid, and oleylamine. Transmission electron microscopy data show that Mg–B nanoplatelets are produced with sizes ranging from 5 to 50 nm, which agglomerate upon ethanol washing to produce an agglomerated nanoscale Mg–B material of micron-sized particles with some surfactant still remaining. X-ray diffraction measurements reveal a two-component material where 32% of the solid is a strained crystalline solid maintaining the hexagonal structure with the remainder being amorphous. Fourier transform infrared shows that the oleate binds in a “bridge-bonding” fashion preferentially to magnesium rather than boron, which is confirmed by density functional theory calculations. The Mg–B nanoscale material is deficient in boron relative to bulk MgB 2 with a Mg–B ratio of ~1:0.75. The nanoscale MgB 0.75 material has a disrupted B–B ring network as indicated by X-ray absorption measurements. Hydrogenation experiments at 700 bar and 280 °C show that it partially hydrogenates at temperatures 100 °C below the threshold for bulk MgB 2 hydrogenation. In addition, upon heating to 200 °C, the H–H bond-breaking ability increases ~10-fold according to hydrogen–deuterium exchange experiments due to desorption of oleate at the surface. This behavior would make the nanoscale Mg–B material useful as an additive where rapid H–H bond breaking is needed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Chemical Redox Agent-Driven Noncorrosive Formation of Nanoporous Mg Structures for Advanced Hydrogen Storage

Light metal-based nanomaterials are widely used for energy storage due to their high energy density and surface-to-volume ratio. However, their high reactivity is paradoxically both the source of advantageous properties and a hurdle to the fabrication of stable nanostructures. Here, in this study, we demonstrate the formation of nanoporous Mg via chemical redox agent-driven dealloying, which ensures minimized surface passivation and results in fine nanostructures with <50 nm of interconnected metallic ligament despite the labile chemical properties of Mg. The thin passivation layer protects the metallic ligaments from severe coarsening by suppressing surface diffusion. The hydrogen storage performance of nanoporous Mg is investigated as an exemplar for energy applications, and the hydrogen ab/desorption kinetics is substantially enhanced compared to other nano-Mg with similar dimensions. Mesoscale simulations highlight the significance of the bicontinuous structure compared to the particle-like counterpart. This work offers valuable insights into the unexplored realm of reactive metal-based nanoporous structures, highlighting their potential for sustainable energy storage and carrier media.

08 HYDROGEN↗
DOE OSTI2023

Small High Endurance Aircraft Technology (sHEAT) - Application of Solid-State Hydrogen Storage to Extend Flight Time of sUAS

Savannah River National Laboratory (SRNL) proposed a study to The Department of Homeland Security (DHS) Science & Technology Directorate (S&T) to investigate the possibility of extending the flight time of small-scale Unmanned Aerial Vehicles (UAVs) using aluminum hydride (AlH 3 or alane) to power a hydrogen fuel cell. Alane is a solid-state hydrogen storage material with greater volumetric energy density than compressed hydrogen and much greater energy density than lithium batteries. UAVs typically use lithium-polymer and lithium-ion batteries for flight, but lithium batteries have not provided a substantial increase in flight time or range since their wide acceptance in the unmanned aircraft market. Several DHS agencies would benefit greatly from extended flight times and ranges for UAS platforms, so experimenting with new types of power sources could provide significant improvement in these important areas of research for DHS S&T.

08 HYDROGEN↗