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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Epoxy-based vitrimeric semi-interpenetrating network/MXene nanocomposites for hydrogen gas barrier applications

Herein, we report MXene-filled epoxy-based vitrimeric nanocomposites featuring a semi-interpenetrating network (S-IPN) to develop a hydrogen gas (H 2 ) barrier coating with self-healing characteristics for compressed H 2 storage applications. The reversible epoxy network was formed by synthesizing linear epoxy chains with pendent bis-hydroxyl groups using amino diol, which were then crosslinked with 1,4-benzenediboronic acid to generate dynamic boronic ester linkages. To achieve the S-IPN-type molecular arrangement, the epoxy chains were in situ crosslinked in the presence of poly(ethylene-co-vinyl alcohol) (EVOH), giving rise to a self-healing network (EEP) with a healing efficiency of 87%. Into the S-IPN vitrimer (EEP), a 2D platelet-type nanofiller MXene was incorporated to introduce a tortuous path for H 2 gas diffusion along with improved mechanical properties. The nanocomposite coating was applied to nylon 6 liner material, which is conventionally used in all-composite H 2 storage vessels. Further, the application of a 2 wt% MXene/EEP nanocomposite coating showed a permeability coefficient of 0.062 cm 3 mm m -2 d -1 atm -1 exhibiting ~96% reduction in gas permeability compared to uncoated nylon 6. The same nanocomposite exhibited a healing efficiency of 79%. Increasing the MXene loading to 10 wt% further reduced the permeability coefficient to 0.002 cm 3 mm m -2 d -1 atm -1 ; however, the healing efficiency decreased due to restricted chain mobility. In essence, the current work highlights the potential of vitrimeric S-IPN nanocomposite coatings for H 2 gas-barrier applications, enhancing safety and performance.

42 ENGINEERING↗
NASA NTRS1972

Erosion of graphite surface exposed to hot supersonic hydrogen gas

A theoretical model based on laminar boundary layer flow equations was developed to predict the erosion rate of a graphite (AGCarb-101) surface exposed to a hot supersonic stream of hydrogen gas. The supersonic flow in the nozzle outside the boundary layer formed over the surface of the specimen was determined by assuming one-dimensional isentropic conditions. An overall surface reaction rate expression based on experimental studies was used to describe the interaction of hydrogen with graphite. A satisfactory agreement was found between the results of the computation, and the available experimental data. Some shortcomings of the model and further possible improvements are discussed.

Sharma, O. P.↗
NASA NTRS1972

Erosion of graphite surface exposed to hot supersonic hydrogen gas

A theoretical model based on laminar boundary layer flow equations is developed to predict the erosion rate of a graphite (AGCarb-101) surface exposed to a hot supersonic stream of hydrogen gas. The supersonic flow in the nozzle outside the boundary layer formed over the surface of the specimen is determined by assuming one-dimensional isentropic conditions. An overall surface reaction rate expression based on the experimental studies by Clarke and Fox is used to describe the interaction of hydrogen with graphite. A satisfactory agreement is found between the results of the computation, and the available experimental data. Some shortcomings of the model, and further possible improvements are discussed.

Sharma, O. P.↗
NASA NTRS2007

Hydrogen Gas Sensors Fabricated on Atomically Flat 4H-SiC Webbed Cantilevers

This paper reports on initial results from the first device tested of a "second generation" Pt-SiC Schottky diode hydrogen gas sensor that: 1) resides on the top of atomically flat 4H-SiC webbed cantilevers, 2) has integrated heater resistor, and 3) is bonded and packaged. With proper selection of heater resistor and sensor diode biases, rapid detection of H2 down to concentrations of 20 ppm was achieved. A stable sensor current gain of 125 +/- 11 standard deviation was demonstrated during 250 hours of cyclic test exposures to 0.5% H2 and N2/air.

Neudeck, Philip G.↗
NASA NTRS2016

The Star Formation Rate Efficiency of Neutral Atomic-Dominated Hydrogen Gas in the Ooutskirts of Star-Forming Galaxies From z approx. 1 to z approx. 3

Current observational evidence suggests that the star formation rate (SFR)efficiency of neutral atomic hydrogen gas measured in damped Ly(alpha) systems (DLAs) at z approx. 3 is more than 10 times lower than predicted by the Kennicutt-Schmidt (KS)relation. To understand the origin of this deficit, and to investigate possible evolution with redshift and galaxy properties, we measure the SFR efficiency of atomic gas at z approx. 1, z approx. 2, and z approx. 3 around star-forming galaxies. We use new robust photometric redshifts in the Hubble Ultra Deep Field to create galaxy stacks in these three redshift bins, and measure the SFR efficiency by combining DLA absorber statistics with the observed rest-frame UV emission in the galaxies' outskirts. We find that the SFR efficiency of H I gas at z > 1 is approx. 1%-3% of that predicted by the KS relation. Contrary to simulations and models that predict a reduced SFR efficiency with decreasing metallicity and thus with increasing redshift, we find no significant evolution in the SFR efficiency with redshift. Our analysis instead suggests that the reduced SFR efficiency is driven by the low molecular content of this atomic-dominated phase, with metallicity playing a secondary effect in regulating the conversion between atomic and molecular gas. This interpretation is supported by the similarity between the observed SFR efficiency and that observed in local atomic-dominated gas, such as in the outskirts of local spiral galaxies and local dwarf galaxies.

Rafelski, Marc↗
DOE OSTI2021

Analysis of defects in In 2 O 3 :H synthesized in presence of water vapor and hydrogen gas mixture

Using hybrid functional-based density functional theory calculations, we analyze the structure and kinetics of defects formed in two competing synthesis routes to prepare hydrogen-doped In 2 O 3 films, using a hydrogen and oxygen gas mixture vs synthesis in the presence of water vapor. For both of these synthesis routes, we find that H + is the dominant defect species: when the Fermi level is close to the conduction band, H + has a lower formation energy than other intrinsic or extrinsic defects. Our results also suggest that water molecules spontaneously split into H + (which occupies octahedral voids) and OH – interstitials (which occupies vacant oxygen lattice sites or oxygen vacancies). From the analysis of the binding energies between these different defects, we conclude that these defects do not cluster and are most likely to stay spatially distributed throughout the films. In addition, the sum of formation energies of an oxygen (i.e., O$^{2–}_i$) and a H + interstitial is close to the formation energy of a OH – interstitial, meaning that water molecules are completely split into 2H + and O$^{2–}_i$ at the synthesis conditions. Further, in the presence of H 2 + O 2 gas mixture, oxygen interstitials occupy oxygen vacancies while hydrogen interstitials occupy vacant oxygen lattice sites and form bonds with lattice oxygens. Our analysis of the defect equilibria suggests that the hydrogen content in films synthesized in the presence of water vapor is higher than films synthesized in the presence of a hydrogen gas mixture. At high dopant concentrations, a hydrogen bond network is formed in the system and this leads to large distortions in the lattice.

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

Conversion of hydrogen gas to water in soil: Implications to fusion contributions

With the continuing development of fusion energy, it is reasonable to be concerned about contamination from the potential release of tritiated water (HTO) plumes, as well as the oxidation of atmospheric tritiated hydrogen gas (HT) releases in nearby soils. We build on past studies by examining oxidation rates of HT to HTO at two sites representing dry and moist soil. We also examine diurnal changes to better constrain rates of microbial HT oxidation and subsequent deposition into soils. We estimate the potential effects of an HTO plume resulting from an oxidation HT. In conclusion, this methodology framework is expected to be useful in the determination of potential health and environmental impacts from HTO as a result of HT releases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1976

Low-cycle fatigue of two austenitic alloys in hydrogen gas and air at elevated temperatures

The low-cycle fatigue resistance of type 347 stainless steel and Hastelloy Alloy X was evaluated in constant-amplitude, strain-controlled fatigue tests conducted under continuous negative strain cycling at a constant strain rate of 0.001 per sec and at total axial strain ranges of 1.5, 3.0, and 5.0 percent in both hydrogen gas and laboratory air environments in the temperature range 538-871 C. Elevated-temperature, compressive-strain hold-time experiments were also conducted. In hydrogen, the cyclic stress-strain behavior of both materials at 538 C was characterized by appreciable cyclic hardening at all strain ranges. At 871 C neither material hardened significantly; in fact, at 5% strain range 347 steel showed continuous cyclic softening until failure. The fatigue resistance of 347 steel was slightly higher than that of Alloy X at all temperatures and strain ranges. Ten-minute compressive hold time experiments at 760 and 871 C resulted in increased fatigue lives for 347 steel and decreased fatigue lives for Alloy X. Both alloys showed slightly lower fatigue resistance in air than in hydrogen. Some fractographic and metallographic results are also given.

Jaske, C. E.↗
DOE OSTI2024

Uncertainty Quantification of Fatigue Behavior of Rough AM Surfaces and Microstructures to Enable Hydrogen Gas Turbine Combustion

Modification of fossil-fueled industrial gas turbines to accept no/low carbon fuels (Hydrogen, H2/natural gas blends) is a significant undertaking. Successful deployment of this technology sits at the intersection of three design criteria (1) new functional fuel injectors that can burn these fuels, (2) manufacturability to meet cost and time-to-market targets, and (3) durability in the harsh environment of an operating turbine. Additive manufacturing (AM) provides accelerated product development. However, uncertainty remains around the durability of parts with rough AM surfaces. A fully experimental approach towards quantifying fatigue performance of rough AM microstructures is costly and laborious. Instead, Solar Turbines Incorporated (Solar) proposes the use of a crystal plasticity finite element (CPFE) model to quantify the factors that drive AM surface fatigue behavior. Solar will use the CPFE results, along with targeted experimental data, to train a computationally efficient surrogate model that can be incorporated into existing turbine part lifing methods.

08 HYDROGEN↗
NASA NTRS1976

Low-cycle fatigue of Type 347 stainless steel and Hastelloy alloy X in hydrogen gas and in air at elevated temperatures

An investigation was conducted to assess the low-cycle fatigue resistance of two alloys, Type 347 stainless steel and Hastelloy Alloy X, that were under consideration for use in nuclear-powered rocket vehicles. Constant-amplitude, strain-controlled fatigue tests were conducted under compressive strain cycling at a constant strain rate of 0.001/sec and at total axial strain ranges of 1.5, 3.0, and 5.0 %, in both laboratory-air and low-pressure hydrogen-gas environments at temperatures from 538 to 871 C. Specimens were obtained from three heats of Type 347 stainless steel bar and two heats of Hastelloy Alloy X. The tensile properties of each heat were determined at 21, 538, 649, and 760 C. The continuous cycling fatigue resistance was determined for each heat at temperatures of 538, 760, and 871 C. The Type 347 stainless steel exhibited equal or superior fatigue resistance to the Hastelloy Alloy X at all conditions of this study.

Jaske, C. E.↗
DOE OSTI2020

Radiation-induced molecular hydrogen gas generation in the presence of aluminum alloy 1100

The United States government currently manages nearly 13 metric tons of aluminum-clad spent nuclear fuel (SNF) without a long-term storage solution, so a fundamental understanding of corrosion processes occurring on aluminum alloy surfaces is of utmost importance to plan for extended (>50 years) interim dry storage of aluminum-clad SNF. While thermal and chemical corrosion processes are well characterized for aluminum, radiation effects are not. To help understand the impacts of radiation on aluminum-clad SNF, here the radiation-induced molecular hydrogen gas (H 2 ) generation from pristine and pre-corroded aluminum alloy 1100 (Al-1100) coupons have been studied. Corrosion of coupons was achieved by submerging coupons in water at 95 °C for 29 days, yielding a ~5 μm boehmite/bayerite oxide film. Pre-corroded coupons were exposed to cobalt-60 gamma radiation to absorbed doses of up to 1.0 MGy under a variety of conditions: cover-gas composition (argon, nitrogen, or air), relative humidity (0, 50, and 100%), and temperature (ambient, 100, and 200 °C). Post-irradiation measurements demonstrated that the yield of H 2 was directly attributable to the presence of the Al-1100 coupons and their physisorbed water with dependence on absorbed gamma dose, relative humidity, and cover-gas composition. No H 2 was quantified in the presence of air, while both nitrogen and argon environments afforded higher H 2 yields with increasing relative humidities. This was attributed to the greater availability of adsorbed water for radiolytic processes. Irradiation of pre-corroded Al-1100 coupons at different temperatures under 0% relative humidity argon conditions yielded statistically equivalent H 2 yields for ambient temperatures and 100 °C. However, irradiation at 200 °C promoted a 3 to 4-fold increase in the yield of H 2 , possibly due to the transformation of bayerite to boehmite and/or improved efficiency of H • and H 2 release from oxide surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modeling DWPF Hydrogen Gas Retention and Release

Savannah River Remediation (SRR) currently manages the risk for retained hydrogen in the Defense Waste Processing Facility (DWPF) vessels by implementing a Retained Hydrogen Program. The current program conservatively relies on bounding assumptions concerning gas release and retention to develop allowable vessel Q-times. SRR would like to establish more realistic inputs to the Retained Hydrogen Program. To address this need, SRNL conducted a literature search on work investigating the retention and release of gas from DWPF type slurries. The search revealed that the retained hydrogen is not released instantaneously upon the start of agitation, and that hydrogen gas could be released under quiescent, non-agitated, conditions. The literature search also identified a Lattice-Boltzmann computational fluid dynamics (CFD) software that could model and predict hydrogen release from DWPF vessels. SRR requested that Savannah River National Laboratory (SRNL) personnel pursue this software and focus the model for hydrogen gas retention and release to justify relaxing these conservative assumptions. This report documents the refinement of the CFD software model and application to show its ability to describe retained hydrogen release from DWPF vessels and relax the conservativisms in the Retained Hydrogen Program.

08 HYDROGEN↗
NASA NTRS1992

Instruction manual for UTEP weld gas hydrogen detector

The instrument described in this manual was developed at the University of Texas at El Paso under contract from the National Aeronautics and Space Administration Marshall Space Flight Center. The instrument has been used to detect hydrogen in the shielding gas of Variable Polarity Plasma Arc (VPPA) welds at concentrations of less than 100 ppm. The instrument makes measurements in real time during the welding operation and provides the operator with an easily readable graphic display of the present level of hydrogen in the arc as well as the level of hydrogen over the past approximately five minutes. In this way the welder can not only tell if the present level of hydrogen is excessive, but can see what changes in weld parameters have done to the level of hydrogen. The welder can set the level of hydrogen that is considered critical and the instrument display will indicate when that level has been exceeded. All detection is from the torch side. All needed equipment is supplied by the developer except for an IBM PC compatible computer which must be supplied by the user. Source code is supplied in this manual so that the user can modify the control program as desired.

Mcclure, John↗
DOE OSTI2021

Process for generating high purity synthesis gas hydrogen from heavy oil or hydrocarbons

The present invention provides a steam reforming process for heavy oil or hydrocarbons using a circulating fluidized bed reactor, the process having a reforming step and a regeneration step, wherein the reforming step and the regeneration step comprise a fluidized reactor containing a fluidizable nickel-containing reforming catalyst and produce hydrogen as a product of the reforming bed. The invention produces high purity hydrogen in the synthesis gas product stream and avoids irreversible fouling on the catalyst.

Srinivas, Girish↗
DOE OSTI2024

Uncertainty Quantification of Fatigue Behavior of Rough AM Surfaces and Microstructures to Enable Hydrogen Gas Turbine

Modifying fossil-fueled industrial gas turbines to utilize low or zero-carbon fuels, such as hydrogen or hydrogen-natural gas blends, is a complex endeavor. The successful implementation of this technology hinges on three key design criteria: (1) developing new fuel injectors capable of efficiently burning alternative fuels, (2) ensuring manufacturability to meet cost and time-to-market goals, and (3) achieving component durability in the demanding environment of an operating gas turbine. Additive manufacturing (AM) accelerates product development, yet concerns persist regarding the durability of parts with rough AM surfaces. A fully experimental approach to quantify the fatigue performance of rough AM microstructures is both costly and labor-intensive. To address this, ORNL and Solar Turbines Incorporated (Solar) employed a crystal plasticity finite element (CPFE) model to identify the factors influencing AM surface fatigue behavior. These CPFE findings, combined with targeted experimental data, were used to develop a computationally efficient surrogate model suitable for assessing the lifespan of gas turbine engine components.

08 HYDROGEN↗
NASA NTRS2001

Micro-machined thin film hydrogen gas sensor, and method of making and using the same

A hydrogen sensor including a thin film sensor element formed, e.g., by metalorganic chemical vapor deposition (MOCVD) or physical vapor deposition (PVD), on a microhotplate structure. The thin film sensor element includes a film of a hydrogen-interactive metal film that reversibly interacts with hydrogen to provide a correspondingly altered response characteristic, such as optical transmissivity, electrical conductance, electrical resistance, electrical capacitance, magnetoresistance, photoconductivity, etc., relative to the response characteristic of the film in the absence of hydrogen. The hydrogen-interactive metal film may be overcoated with a thin film hydrogen-permeable barrier layer to protect the hydrogen-interactive film from deleterious interaction with non-hydrogen species. The hydrogen sensor of the invention may be usefully employed for the detection of hydrogen in an environment susceptible to the incursion or generation of hydrogen and may be conveniently configured as a hand-held apparatus.

DiMeo, Jr., Frank↗
DOE OSTI2026

Extreme confinement of hydrogen gas within fullerenelike nanoporous carbon

Nanoporous carbons and carbon nanostructures can store hydrogen at cryogenic temperatures but lack the volumetric and gravimetric capacity to be industrially significant. Recent inelastic neutron scattering experiments suggest a highly dense phase of hydrogen at temperatures well above the melting point of solid hydrogen. However, it remains unclear how pore geometry and intermolecular interactions enable these dense phases to exist, with dispersion (van der Waals) or electrostatic/induction suggested to be the key effects in slit and curved pores but their relative contributions have yet to be quantified. In this paper, we perform benchmark electronic structure calculations allowing the interactions between planar and curved aromatic molecules with hydrogen to be accurately determined. Dispersion was found to dominate over electrostatic and inductive effects with some many-body charge transfer (Dobson type-A) effects needed to capture the most highly curved structures. Density functional methods that include type-A many-body effects were found to accurately describe the intermolecular interactions at a fraction of the cost of coupled-cluster simulations and these approaches were used to calculate the energies inside large carbon bowl and slit pores. The interaction energies inside the bowl pores were found to depend on the orientation of the hydrogen molecule. This rotational barrier, modeled as a quantum hindered rotor, could reproduce the peak splitting observed in inelastic neutron scattering experiments, with weak splitting arising from bowl-like fullerene pores and strong splitting from highly confining nanotubelike pores. Increasing the fraction of such curved pores in nanoporous carbons may therefore offer a pathway to enhance their hydrogen-storage capacity. Moreover, the preferential adsorption of ortho hydrogen on nanotubelike pores could enable the storage of high-density hydrogen without the need to remove heat produced during the ortho-para hydrogen conversion.

36 MATERIALS SCIENCE↗