Search NASA⌕ Search

SEARCH · Search NASA

Results for “hydrogen compression”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Metal hydrides: a historical perspective

Metal hydrides are known for their outstanding performance as materials for hydrogen storage and processing. These materials find applications for short- and long-term energy storage, compression and supply of hydrogen gas, thermal energy storage, as electrodes and electrolytes in rechargeable batteries, for the microstructural optimisation of functional materials, in thin film technologies, as catalysts, getters and in many other uses. After the discovery of the first binary metal hydrides back in the 19th century, their studies covered all possible binary M-H systems and expanded rapidly into the field of ternary hydrides following the recognition of the excellent hydrogen storage performance of LaNi 5 - and TiFe-based materials, which operate efficiently at room temperature and at near-ambient H 2 pressures. This review aims to provide an overview of the early works, as well as selected recent results on various classes of metal hydrides. It also covers the recent activities from the major contributing countries and continents, including USA, Europe, Japan, China and Australia. These studies relate to achieving the hydrogen storage systems goals set by the Department of Energy in the United States which inspired the research activities at the national and international level, through execution of the tasks on hydrogen-based energy storage managed by the International Energy Agency. The review is prepared by international experts in the field and covers the most important past developments and also presents the recent achievements in the field.

08 HYDROGEN↗
DOE OSTI2026

Systems-To-Atoms (S2A): enabling hydrogen for climate security

The project addresses a critical gap in hydrogen infrastructure by integrating system-level energy models with atomic-scale material simulations in a unified Systems-to-Atoms (S2A) framework. The motivation stems from the need to develop efficient, cost-effective, and durable hydrogen transport and utilization technologies to support decarbonization of hard-to-electrify sectors such as heavy-duty transportation. Current system models lack awareness of material performance mechanisms, while material-scale models do not account for system-level usage and variability. To bridge this divide, the team developed a co-simulation capability linking techno-economic analyses, reactor/process-flow modeling, and molecular-scale catalysis simulations. Applied to hydrogen delivery in California, the framework enabled comparative evaluations of compressed, cryogenic, and liquid organic hydrogen carrier (LOHC) pathways, highlighting how catalyst operation and unit process efficiency influence overall performance. The results demonstrate that no single material or transport mode is universally optimal; instead, heterogeneous solutions tuned to specific operational contexts deliver better performance. The project delivers a new capability for cross-scale material co-design, advancing hydrogen infrastructure readiness and informing DOE and LLNL missions in climate and energy resilience.

organic↗
DOE OSTI2024

Hydrogen-Steam Separation Using Mechanical Vapor Recompression Cycle

Solar thermochemical hydrogen and fuel production is a promising pathways for producing sustainable fuels and chemicals. One of the main challenges in the development of these systems is their low steam conversion extent, dictated by its restrictive thermodynamics requiring extremely high temperatures and low oxygen partial pressure to obtain conversions over 10 \%. While condensing the unreacted steam is technically simple, the latent heat is thus lost, which can be larger than the producd hydrogen higher heating value. We propose to use a modified mechanical vapor recompression cycle, allowing to recover the latent heat by compressing the steam-hydrogen mixture prior to the condensation process, thus creating a temperature different between the hot exhaust and cold inlet streams. We show that this method can recover over 90 % of the latent heat, thus increasing the viability of solar thermochemical hydrogen production cycles even under limited conversion conditions.

hydrogen technology↗
DOE OSTI2025

Ultrahigh-pressure crystallographic passage towards metallic hydrogen

The structural evolution of molecular hydrogen H 2 under multi-megabar compression and its relation to atomic metallic hydrogen is a key unsolved problem in condensed-matter physics. Although dozens of crystal structures have been proposed by theory, only one, the simple hexagonal-close-packed (hcp) structure of only spherical disordered H 2 , has been previously confirmed in experiments. Through advancing nano-focused synchrotron X-ray probes, here we report the observation of the transition from hcp H 2 to a post-hcp structure with a six-fold larger supercell at pressures above 212 GPa, indicating the change of spherical H 2 to various ordered configurations. Theoretical calculations based on our XRD results found a time-averaged structure model in the space group $P\bar{6}2c$ with alternating layers of spherically disordered H 2 and new graphene-like layers consisting of H 2 trimers (H 6 ) formed by the association of three H 2 molecules. Here, this supercell has not been reported by any previous theoretical study for the post-hcp phase, but is close to a number of theoretical models with mixed-layer structures. The evidence of a structural transition beyond hcp establishes the trend of H 2 molecular association towards polymerization at extreme pressures, giving clues about the nature of the molecular-to-atomic transition of metallic hydrogen. Considering the spectroscopic behaviours that show strong vibrational and bending peaks of H 2 up to 400 GPa, it would be prudent to speculate the continuation of hydrogen molecular polymerization up to its metallization.

Ji, Cheng [Center for High Pressure Science and Te↗
DOE OSTI2026

Hydrogen Infrastructure Modeling and Optimization

HyET, established in 2008, is a small business developing electro-chemical hydrogen compressors. HyET’s goals are for a low-cost, efficient, high-pressure compressor ready for market and installation into hydrogen infrastructure stations servicing mobile fuel cell applications. NLR has been working on hydrogen infrastructure research for over a decade and includes electrolyzer production via electrolysis, storage, compression, dispensing, safety, and performance validation. Accelerating technologies into the marketplace is one goal of NLR’s hydrogen research. Therefore, HyET and NLR have teamed up to provide one year of support for HyET’s modeling and small-scale experiments optimization efforts for HyET’s next-generation electro-chemical compressor.

08 HYDROGEN↗
DOE OSTI2024

A Review of Coupled Geochemical–Geomechanical Impacts in Subsurface CO 2 , H 2 , and Air Storage Systems

Increased demand for decarbonization and renewable energy has led to increasing interest in engineered subsurface storage systems for large-scale carbon reduction and energy storage. In these applications, a working fluid (CO 2 , H 2 , air, etc.) is injected into a deep formation for permanent sequestration or seasonal energy storage. The heterogeneous nature of the porous formation and the fluid–rock interactions introduce complexity and uncertainty in the fate of the injected component and host formations in these applications. Interactions between the working gas, native brine, and formation mineralogy must be adequately assessed to evaluate the efficiency, risk, and viability of a particular storage site and operational regime. This study reviews the current state of knowledge about coupled geochemical–geomechanical impacts in geologic carbon sequestration (GCS), underground hydrogen storage (UHS), and compressed air energy storage (CAES) systems involving the injection of CO 2 , H 2 , and air. Specific review topics include (1) existing injection induced geochemical reactions in these systems; (2) the impact of these reactions on the porosity and permeability of host formation; (3) the impact of these reactions on the mechanical properties of host formation; and (4) the investigation of geochemical-geomechanical process in pilot scale GCS. This study helps to facilitate an understanding of the potential geochemical–geomechanical risks involved in different subsurface energy storage systems and highlights future research needs.

08 HYDROGEN↗
DOE OSTI2025

Dynamical structure factors of warm dense matter from time-dependent orbital-free and mixed-stochastic-deterministic density functional theory

Abstract We present the first calculations of the inelastic part of the dynamical structure factor (DSF) for warm dense matter (WDM) using time-dependent orbital-free density functional theory (TD-OF-DFT) and mixed-stochastic-deterministic (mixed) Kohn Sham TD-DFT (KS TD-DFT). WDM is an intermediate phase of matter found in planetary cores and laser-driven experiments, where the accurate calculation of the DSF is critical for interpreting x-ray Thomson scattering measurements. Traditional TD-DFT methods, while highly accurate, are computationally expensive, motivating the exploration of TD-OF-DFT and mixed TD-KS-DFT as more efficient alternatives. We applied these methods to experimentally measured WDM systems, including solid-density aluminum and beryllium, compressed beryllium, and carbon–hydrogen mixtures. Our results show that TD-OF-DFT requires a dynamical kinetic energy potential in order to qualitatively capture the plasmon response. Additionally, it struggles with capturing bound electron contributions. In contrast, mixed TD-KS-DFT offers greater accuracy in distinguishing bound and free electron effects, aligning well with experimental data, though at a higher computational cost. This study highlights the trade-offs between computational efficiency and accuracy, demonstrating that TD-OF-DFT remains a valuable tool for rapid scans of parameter space, while mixed TD-KS-DFT should be preferred for high-fidelity simulations. Our findings provide insight into the future development of DFT methods for WDM and suggest potential improvements for TD-OF-DFT.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Using X-ray radiography to study oxygen flow in a proton exchange membrane electrolyzer operating under balanced pressure conditions

Of the various water electrolyzer technologies, the proton exchange membrane electrolyzer (PEMWE) is one of the best solutions for producing clean hydrogen without releasing CO 2 . In order to allow for widespread use of clean hydrogen, it is necessary to decrease its cost, which is intrinsically related to system operation. Current PEMWE plants operate in differential mode, directly pressurizing hydrogen and benefiting from thermodynamic compression, which increases overall system efficiency. However, high differential pressure above 30 bar can cause membrane stress, resulting in membrane creeping and failure. Pressurizing the water and operating at balanced pressure allows hydrogen to be produced at higher pressures while preserving the integrity of the membrane and porous layers. Nevertheless, the impact of pressurizing water on PEMWE performance must be better understood to maximize performance under balanced pressure conditions. Here, this study examined the impact of water pressure on two-phase flow. A high-pressure electrolyzer setup was developed to perform operando X-ray radiography and examine oxygen transport with high temporal resolution. The imaging segmentation process, developed to capture bubble properties in the channel, was applied to a specific experiment. The results clearly showed that as pressure increased up to 30 bars, the initial bubbly flow transitioned to slug flow, which led to channel saturation with oxygen. This work demonstrates that two-phase flow in an electrolyzer can be studied using X-ray radiography, which has the advantages of fast measurements and the ability to probe dense materials, such as those required for pressurized electrolyzers.

Balanced high pressure operation↗
DOE OSTI2024

Electrolyte Assisted Hydrogen Storage Reactions (Final Technical Report)

The goal of this project is to address critical deficiencies of hydrogen storage systems design based on hydride materials, as originally identified by the DOE Hydrogen Storage Engineering Center of Excellence (HSECoE). Baseline hydrogen storage technology presently relies on compressed gas operating at ~700 bar pressure, which imposes huge demands on fuel delivery, fuel storage and system cost. For onboard storage applications, Type IV composite overwrapped pressure vessels and associated balance-of-plant components are necessary to ensure safe and effective fuel delivery. However, such compressed gas technology falls well-short of volumetric targets even at 700 bar, given the density of gaseous molecular hydrogen is only 40 g·H2/l at ambient temperatures. One alternative is to utilize hydride materials which accommodate hydrogen in atomic form. Certain hydrides can attain volumetric densities that exceed the density of liquid H2 (71 g·H2/l) while also offering advantageous thermodynamic properties. However, such material systems presently rely on solid-state diffusion for hydrogen release, which has a very high activation barrier for atom mobility and, thus, requires impractically-high temperatures for operation. The initial focus of our research effort is to employ and demonstrate an electrolyte system to mediate the diffusion of species at lower temperatures relevant to transportation applications, with the goal of establishing the critical factors necessary to obviate the need for high-temperature release of hydrogen. A parallel goal of this exploratory effort is to determine the effectiveness of modest electrochemical potentials in overcoming any endothermic requirements for hydrogen release in a similar electrolyte-promoted scenario.

08 HYDROGEN↗
DOE OSTI2024

Hydrogen Transportation and Distributed Energy Systems Risk and Feasibility Assessment for Airport Facilities - CRADA 555 (Abstract)

This CRADA presents the strategy that Pacific Northwest National Laboratory (PNNL) and Sandia National Laboratories (SNL) will take to support PDX in performing a risk assessment for several hydrogen deployment scenarios. It is intended that the deployment of hydrogen at PDX could serve several roles, including decarbonizing its bus fleet and building out a distributed energy system which could also be used to facilitate emergency operations. PDX’s initial plans concern replacing their current fleet of 28 busses with FCEBs. To do so, PDX will need to deploy the hydrogen systems needed to support the buses. This includes hydrogen storage, production, delivery, filling, compression, and maintenance. PDX also has long range plans to build a distributed energy system to support normal and resilient operations. This study will investigate the risks of each plan individually, and a combined plan which serves both. Additionally, PDX is in an area with the potential for high seismic activity, as such this work will also include a seismic risk assessment. A detailed risk assessment using PDX as a test case is necessary to ensure the deployment of large-scale hydrogen is successful and to understand the benefits or drawbacks in contrast to electric only technologies. Many technologies have been proposed that claim to utilize hydrogen for both transportation and distributed energy systems; however, these technologies need to be analyzed as they apply to an actual site. The physical infrastructure and hydrogen use cases for PDX will be analyzed, a risk assessment will be performed on the hydrogen infrastructure and distributed energy system. These assessments will be useful for understanding how each of these technologies would perform as applied to a large public facility and public safety. The results of this CRADA, and an impact of the DOE funding, will evaluate hydrogen as a key fuel for PDX and will accelerate by several years availability of hydrogen, fuel cells, and other low-carbon technologies.

08 HYDROGEN↗
DOE OSTI2025

Hydrogen Materials Advanced Research Consortium (HyMARC): Sandia Technical Effort

A trilateral agreement has been finalized involving research institutions in Korea, Japan, and the U.S. The project partners are Sandia, LLNL, KIST, KAIST, and AIST. The project title is “Structure-Property Relationships in Metal Alloys for Hydrogen Storage and Processing.” Funding for the U.S. portion of the effort is through NNSA; the PI is Vitalie Stavila. The overall objective of this project is to identify detailed structure-property relationships governing hydrogen separation, purification, storage, and compression in compositionally complex metal alloys.

08 HYDROGEN↗
DOE OSTI2024

Understanding the interplay between pilot fuel mixing and auto-ignition chemistry in hydrogen-enriched environment

The diesel-piloted dual-fuel compression ignition combustion strategy is well-suited to accelerate the decarbonization of transportation by adopting hydrogen as a renewable energy carrier into the existing internal combustion engine with minimal engine modifications. Despite the simplicity of engine modification, many questions remain unanswered regarding the optimal pilot injection strategy for reliable ignition with minimum pilot fuel consumption. The present study uses a single-cylinder heavy-duty optical engine to explore the phenomenology and underlying mechanisms governing the pilot fuel ignition and the subsequent combustion of a premixed hydrogen-air charge. The engine is operated in a dual-fuel mode with hydrogen premixed into the engine intake charge with a direct pilot injection of n-heptane as a diesel pilot fuel surrogate. Optical diagnostics used to visualize in-cylinder combustion phenomena include high-speed IR imaging of the pilot fuel spray evolution as well as high-speed HCHO* and OH* chemiluminescence as indicators of low-temperature and high-temperature heat release, respectively. Three pilot injection strategies are compared to explore the effects of pilot fuel mass, injection pressure, and injection duration on the probability and repeatability of successful ignition. The thermodynamic and imaging data analysis supported by zero-dimensional chemical kinetics simulations revealed a complex interplay between the physical and chemical processes governing the pilot fuel ignition process in a hydrogen containing charge. Hydrogen strongly inhibits the ignition of pilot fuel mixtures and therefore requires longer injection duration to create zones with sufficiently high pilot fuel concentration for successful ignition. Results show that ignition typically tends to rely on stochastic pockets with high pilot fuel concentration, which results in poor repeatability of combustion and frequent misfiring. In conclusion, this work has improved the understanding on how the unique chemical properties of hydrogen pose a challenge for maximization of hydrogen’s energy share in hydrogen dual-fuel engines and highlights a potential mitigation pathway.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Understanding latent timescales in neural ordinary differential equation models of advection-dominated dynamical systems

The neural ordinary differential equation (ODE) framework has shown considerable promise in recent years in developing highly accelerated surrogate models for complex physical systems characterized by partial differential equations (PDEs). For PDE-based systems, state-of-the-art neural ODE strategies leverage a two-step procedure to achieve this acceleration: a nonlinear dimensionality reduction step provided by an autoencoder, and a time integration step provided by a neural-network based model for the resultant latent space dynamics (the neural ODE). This work explores the applicability of such autoencoder-based neural ODE strategies for PDEs in which advection terms play a critical role. More specifically, alongside predictive demonstrations, physical insight into the sources of model acceleration (i.e., how the neural ODE achieves its acceleration) is the scope of the current study. Such investigations are performed by quantifying the effects of both autoencoder and neural ODE components on latent system time-scales using eigenvalue analysis of dynamical system Jacobians. To this end, the sensitivity of various critical training parameters – de-coupled versus end-to-end training, latent space dimensionality, and the role of training trajectory length, for example – to both model accuracy and the discovered latent system timescales is quantified. Furthermore, this work specifically uncovers the key role played by the training trajectory length (the number of rollout steps in the loss function during training) on the latent system timescales: larger trajectory lengths correlate with an increase in limiting neural ODE time-scales, and optimal neural ODEs are found to recover the largest time-scales of the full-order (ground-truth) system. Demonstrations are performed across fundamentally different unsteady fluid dynamics configurations influenced by advection: (1) the Kuramoto–Sivashinsky equations (2) Hydrogen-Air channel detonations (the compressible reacting Navier–Stokes equations with detailed chemistry), and (3) 2D Atmospheric flow.

Advection-dominated dynamical systems↗
DOE OSTI2026

Admissible Powertrain Alternatives for Heavy-Duty Fleets: A Case Study on Resiliency and Efficiency

Heavy-duty vehicles dominate global freight movement and primarily rely on fossil-derived diesel fuel. However, fluctuations in crude oil prices and evolving emissions regulations have prompted interest in alternative powertrains to enhance fleet energy resiliency. This study paired real-world operational data from a large commercial fleet with high-fidelity vehicle models to evaluate the potential for replacing diesel internal combustion engine (ICE) trucks with alternative powertrain architectures. The baseline vehicle for this analysis is a diesel-powered ICE truck. Alternatives include ICE trucks fueled by bio- and renewable diesel, compressed natural gas (CNG) or hydrogen (H 2 ), as well as plug-in hybrid (PHEV), fuel cell electric (FCEV), and battery electric vehicles (BEV). While most alternative powertrains resulted in some payload capacity loss, the overall fleetwide impact was negligible due to underutilized payload capacity for the specific fleet considered in this study. For sleeper cab trucks, CNG-powered trucks achieved the highest replacement potential, covering 85% of the fleet. In contrast, H 2 and BEV architectures could replace fewer than 10% and 1% of trucks, respectively. Day cab trucks, with shorter daily routes, showed higher replacement potential: 98% for CNG, 78% for H 2 , and 34% for BEVs. However, achieving full fleet replacement would still require significant operational changes such as route reassignment and enroute refueling, along with considerable improvements to onboard energy storage capacity. Additionally, the higher total cost of ownership (TCO) for alternative powertrains remains a key challenge. This study also evaluated lifecycle impacts across various fuel sources, both fossil and bio-derived. Bio-derived synthetic diesel fuels emerged as a practical option for diesel displacement without disrupting operations. Conversely, H 2 and electrified powertrains provide limited lifecycle impacts under the current energy scenario. This analysis highlights the complexity of replacing diesel ICE trucks with admissible alternatives while balancing fleet resiliency, operational demands, and emissions goals. These results reflect a US-based fleet’s duty cycles, payloads, GVWR allowances, and an assumption of depot-only refueling/recharging. Applicability to other fleets and regions may differ based on differing routing practices or technical features such as battery swapping.

BEV↗
DOE OSTI2024

High Temperature Test Facility At Scale Testing, Validation, and Demonstration

Theses slides will be used to brief the Tribal DOE and Council Chairman for the project listed below. The High Temperature Test Facility (HTTF) is a demonstration-scale high temperature electrolysis (HTE) system that provides the ability to produce, process, store, and dispense electrolytically produced hydrogen. The system will be designed to accommodate electrolysis systems from various industry partners. The HTTF will be supplied up to 10 MW of power for electrolysis at 5 separate test article locations, each up to 2MW. The system will include post-processing and compression, storage, and capabilities to provide hydrogen for consumption by future end users. The HTTF will also provide the ability to test and demonstrate an HTE system in a configuration that would simulate the use of a nuclear generated steam supply for the high temperature heat source. The HTTF will be located at the Central Facilities Area (CFA) adjacent to CFA-686 on the INL site, 45 miles west of Idaho Falls.

08 HYDROGEN↗
DOE OSTI2026

Life Cycle Analysis of Natural Gas Supply Chain and End Use Applications in the United States

Natural gas (NG) plays a crucial role in current and future energy systems in the United States due to its abundance and affordability. In this study a life cycle analysis of the NG supply chain in the United States was conducted using Argonne's R&D GREET model, examining stages from recovery to distribution using reported field data processed and documented by National Energy Technology Laboratory. Supply chain emissions were evaluated across multiple spatial scales, including national average, overall regional production, region-to-region, and basin-to-region scenarios. The GHG intensity of the U.S. average NG supply chain was estimated at 10.3 kg CO 2 e/MMBtu (lower heating value), with a range across regions from 7.8 kg CO 2 e/MMBtu (Northeast) to 15.1 kg CO 2 e/MMBtu (Pacific). The analysis further assessed how upstream NG emissions influence the life cycle GHG emissions of key end-use applications, including electricity generation (0.044–0.086 kg CO 2 e/kWh from upstream NG in combined cycle facilities), hydrogen production (1.04–2.20 kg CO 2 e/kg H 2 for steam methane reforming [SMR] and 1.06–2.23 kg CO 2 e/kg for autothermal reforming [ATR]), and transit bus operation utilizing compressed natural gas fuel (0.19–0.37 kg CO 2 e/mile) and hydrogen fuel (0.12–0.25 kg CO 2 e/mile for hydrogen produced in SMR and ATR).

compression↗