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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Developing novel electrodes with ultralow catalyst loading for high-efficiency hydrogen production in proton exchange membrane electrolyzer cells

Hydrogen plays more crucial roles for decarbonizing the planets and meeting the climate challenges because of its high energy density and zero-emission. It can be produced with proton exchange membrane electrolyzer cells (PEMECs) driven by sustainable and renewable energy resources. Although PEMECs have a number of advantages, including high purity production, quick response, and the ability to operate at high pressure facilitating the gas delivering, their performance and cost greatly hinder their commercial-scale applications. To achieve high-efficiency and cost-reduced hydrogen production in PEMECs, we proposed thin engineered liquid/gas diffusion layers (LGDLs) and associated electrodes, i.e., catalyst-coated LGDLs (CCLGDLs), over conventional porous transport layers (PTLs) and catalyst-coated membranes (CCMs). The research approaches in this project are based on material synthesis, in-situ and ex-situ characterizations, component design and treatment, numerical modeling, and cost analysis. The thin and tunable LGDLs (TT-LGDLs) and CCLGDLs were successfully developed with great performance improvement as demonstrated in lab-scale, bench-scale, and system-scale electrolyzer tests. The electrode thickness was reduced from 370 µm to less than 100 µm with simplified fabrication processes. With the catalytically enhanced Ir-based catalyst coating, the as-developed CCLGDLs with a catalyst loading of 0.34 mg Ir /cm 2 achieved a cell performance of 1.77 V at 2 A cm -2 , exhibiting the catalyst mass activity enhanced by >20 times with significant catalyst saving over conventional catalyst cell design. In-situ PEMEC characterizations, including the current distribution mapping and high-speed and multiscale visualizations, were conducted for a deeper understanding of mass transport and electrochemical reactions within an electrolyzer with LGDLs and CCLGDLs. A 2D cell model was developed and validated for the enhanced performance on TT-LGDL through reducing ohmic losses due to nonuniform hydration and water transport. Further, the cost analysis results have shown a path to move beyond equivalency and surpass costs associated with the project baseline. In this project, the design and fabrication of TT-LGDLs and CCLGDLs will contribute to the performance enhancement, manufacturing simplification, and cost reduction for PEMECs and other energy conversion devices, thus shortening their pathways towards commercialization. This project also provides a good foundation for furthering the in-situ reaction interface research.

08 HYDROGEN↗
NASA NTRS1978

A feasibility study of a diffusion barrier between Ni-Cr-Al coatings and nickel-based eutectic alloys

Coating systems have been proposed for potential use on eutectic alloy components in high-temperature gas turbine engines. In a study to prevent the deterioration of such systems by diffusion, a tungsten sheet 25 microns thick was placed between eutectic alloys and an Ni-Cr-Al layer. Layered test specimens were aged at 1100 C for as long as 500 h. Without the tungsten barrier the delta phase of the eutectic deteriorated by diffusion of niobium into the Ni-Cr-Al. Insertion of the tungsten barrier stopped the diffusion of niobium from the delta phase. Chromium diffusion from the Ni-Cr-Al into the gamma/gamma-prime phase of the eutectic was greatly reduced by the barrier. However, the barrier thickness decreased with time, and tungsten diffused into both the Ni-Cr-Al and the eutectic. When the delta platelets were aligned parallel rather than perpendicular to the Ni-Cr-Al layer, diffusion into the eutectic was reduced.

Young, S. G.↗
NASA NTRS1994

Highly ionized gas in the Galactic halo

We reexamine the values of electron density n(sub e) and gas pressure P/k in the interstellar medium (ISM) of the Galactic halo, as inferred from C IV emission and absorption lines and using current C IV atomic data. In a homogeneous model with 4.7 less than or equal to log T less than or equal to 5.3, the data are consistent with 0.01 less than or equal to n(sub e) less than or equal to 0.02/cu cm and 2200 less than or equal to P/k less than or equal to 3700/cu cm K, a factor of 2-3 higher than advocated by Martin & Bowyer (1990) and comparable to the thermal pressure in the disk. If some of the C IV absorption arises from nonemitting, photoionized gas, then the inferred density and pressure will increase accordingly. The volume filling factor for homogeneous models ranges from 0.5% to 5%. Because of the constraints arising from filling factor and radiated power, most of the C IV must arise from gas near the peak of the cooling curve, at log t less than or equal to 5.6. We relate both emission-line and absorption-line observations to recent models in which turbulent mixing layers and isobarically cooling supernova remnants (SNRs) provide significant amounts of halo gas at approximately 10(exp 5.3) K and process 20-40 solar mass/yr with a power of approximately 10(exp 41) ergs/sec. Since the observed C IV and N V absorption scale heights have been reported to differ, at 4.9 kpc and 1.6 kpc, respectively, we examine inhomogeneous models with different exponential scale heights of T, P, and SN energy input. The ISM may change its character with distance above the Galactic plane, as superbubbles and mixing layers dominate over isolated SNRs as the source of the C IV. For appropiate scale heights, the midplane pressure is twice the homogeneous values quoted above. The O IV lambda 1034 diffuse emission line, which can be used as a temperature diagnostic of the hot gas, is predicted to be comparable in strength to that of C IV lambda 1549 (approximately 6000 photons/cu cm/s/sr. The ions C IV, N V, and O VI are predicted to show a decreasing trend in vertical extent, with the O IV scale height perhaps as low as approximately 1 kpc.

Shull, J. Michael↗
NASA NTRS2008

Fabricating Large-Area Sheets of Single-Layer Graphene by CVD

This innovation consists of a set of methodologies for preparing large area (greater than 1 cm(exp 2)) domains of single-atomic-layer graphite, also called graphene, in single (two-dimensional) crystal form. To fabricate a single graphene layer using chemical vapor deposition (CVD), the process begins with an atomically flat surface of an appropriate substrate and an appropriate precursor molecule containing carbon atoms attached to substituent atoms or groups. These molecules will be brought into contact with the substrate surface by being flowed over, or sprayed onto, the substrate, under CVD conditions of low pressure and elevated temperature. Upon contact with the surface, the precursor molecules will decompose. The substituent groups detach from the carbon atoms and form gas-phase species, leaving the unfunctionalized carbon atoms attached to the substrate surface. These carbon atoms will diffuse upon this surface and encounter and bond to other carbon atoms. If conditions are chosen carefully, the surface carbon atoms will arrange to form the lowest energy single-layer structure available, which is the graphene lattice that is sought. Another method for creating the graphene lattice includes metal-catalyzed CVD, in which the decomposition of the precursor molecules is initiated by the catalytic action of a catalytic metal upon the substrate surface. Another type of metal-catalyzed CVD has the entire substrate composed of catalytic metal, or other material, either as a bulk crystal or as a think layer of catalyst deposited upon another surface. In this case, the precursor molecules decompose directly upon contact with the substrate, releasing their atoms and forming the graphene sheet. Atomic layer deposition (ALD) can also be used. In this method, a substrate surface at low temperature is covered with exactly one monolayer of precursor molecules (which may be of more than one type). This is heated up so that the precursor molecules decompose and form one monolayer of the target material.

Bronikowski, Michael↗
DOE OSTI2020

Weakening aerosol direct radiative effects mitigate climate penalty on Chinese air quality

Future climate change may worsen air quality in many regions. However, evaluations of this ‘climate penalty’ on air quality have typically not assessed the radiative effects of changes in short-lived aerosols. Additionally, China’s clean air goals will decrease pollutant emissions and aerosol loadings, with concomitant weakening of aerosol feedbacks. In this work, we assess how such weakened aerosol direct effects alter the estimates of air pollution and premature mortality in China attributable to mid-century climate change under Representative Concentration Pathway 4.5. We found that weakening aerosol direct effects cause boundary layer changes that facilitate diffusion. This reduces air-pollution exposure (~4% in fine particulate matter) and deaths (13,800 people per year), which largely offset the additional deaths caused by greenhouse gas-dominated warming. These results highlight the benefits of reduced pollutant emissions through weakening aerosol direct effects and underline the potential of pollution control measures to mitigate climate penalties locked in by greenhouse gas emissions.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

A semi-empirical model for the complete orientation dependence of the growth rate for vapor phase epitaxy - Chloride VPE of GaAs

A semi-empirical model has been developed to determine the complete crystallographic orientation dependence of the growth rate for vapor phase epitaxy (VPE). Previous researchers have been able to determine this dependence for a limited range of orientations; however, our model yields relative growth rate information for any orientation. This model for diamond and zincblende structure materials is based on experimental growth rate data, gas phase diffusion, and surface reactions. Data for GaAs chloride VPE is used to illustrate the model. The resulting growth rate polar diagrams are used in conjunction with Wulff constructions to simulate epitaxial layer shapes as grown on patterned substrates. In general, this model can be applied to a variety of materials and vapor phase epitaxy systems.

Seidel-Salinas, L. K.↗
DOE OSTI2024

Stable Pentagonal Layered Palladium Diselenide Enables Rapid Electrosynthesis of Hydrogen Peroxide

Electrosynthesis of hydrogen peroxide (H 2 O 2 ) via the two-electron oxygen reduction reaction (2e – ORR) is promising for various practical applications, such as wastewater treatment. However, few electrocatalysts are active and selective for 2e – ORR yet are also resistant to catalyst leaching under realistic operating conditions. Here, a joint experimental and computational study reveals active and stable 2e – ORR catalysis in neutral media over layered PdSe 2 with a unique pentagonal puckered ring structure type. Computations predict active and selective 2e – ORR on the basal plane and edge of PdSe 2 , but with distinct kinetic behaviors. Further, electrochemical measurements of hydrothermally synthesized PdSe 2 nanoplates show a higher 2e – ORR activity than other Pd–Se compounds (Pd 4 Se and Pd 17 Se 15 ). PdSe 2 on a gas diffusion electrode can rapidly accumulate H 2 O 2 in buffered neutral solution under a high current density. The electrochemical stability of PdSe 2 is further confirmed by long device operational stability, elemental analysis of the catalyst and electrolyte, and synchrotron X-ray absorption spectroscopy. This work establishes a new efficient and stable 2e – ORR catalyst at practical current densities and opens catalyst designs utilizing the unique layered pentagonal structure motif.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Chlorinated hydrocarbons in the atmosphere - Analysis at the parts-per-trillion level by GC-MS

The propellant gases (Freons) used in aerosol spray cans can diffuse into the earth's upper atmosphere where they can react with the unfiltered ultraviolet radiation from the sun to reduce the earth's protective ozone layer. These Freons have been identified commonly by gas chromatography. Mass spectrometer data confirm other reports on the widespread concentrations of the Freons in the troposphere and demonstrate the presence of Freon 113 which has not been previously identified.

Tyson, B. J.↗
NASA NTRS1986

Prediction and rational correlation of thermophoretically reduced particle mass transfer to hot surfaces across laminar or turbulent forced-convection gas boundary layers

A formulation previously developed to predict and correlate the thermophoretically-augmented submicron particle mass transfer rate to cold surfaces is found to account for the thermophoretically reduced particle mass transfer rate to overheated surfaces such that thermophoresis brings about a 10-decade reduction below the convective mass transfer rate expected by pure Brownian diffusion and convection alone. Thermophoretic blowing is shown to produce effects on particle concentration boundary-layer (BL) structure and wall mass transfer rates similar to those produced by real blowing through a porous wall. The applicability of the correlations to developing BL-situations is demonstrated by a numerical example relevant to wet-steam technology.

Gokoglu, Suleyman A.↗
NASA NTRS1976

Wind enhanced planetary escape: Collisional modifications

The problem of thermal escape is considered in which both the effects of thermospheric winds at the exobase and collisions below the exobase are included in a Monte Carlo calculation. The collisions are included by means of a collisional relaxation layer of a background gas which models the transition region between the exosphere and the thermosphere. The wind effects are considered in the limiting cases of vertical and horizontal flows. Two species are considered: terrestrial hydrogen and terrestrial helium. In the cases of terrestrial hydrogen the escape fluxes were found to be strongly filtered or throttled by collisions at high exospheric temperatures. The model is applied to molecular hydrogen diffusing through a methane relaxation layer under conditions possible on Titan. The results are similar to the case of terrestrial hydrogen with wind enhanced escape being strongly suppressed by collisions. It is concluded that wind enhanced escape is not an important process on Titan.

Curtis, S. A.↗
DOE OSTI2020

A Thin Alumina Film as a Tritium Adsorption Inhibitor for Stainless Steel 316

The effect of a thin alumina coating on stainless-steel 316 (SS316) samples on tritium adsorption and transport are discussed. Compact films of alumina were produced on the surfaces of pristine SS316 samples using an atomic layer deposition (ALD) technique. Subsequently, these samples were exposed for 24 hours to a deuterium-tritium gas mixture (P T =0.5 atm, 25°C). A combination of methods including selective-etching and programmed thermal desorption were employed to assess both, the depth profile of the tritium concentration in the sample and the total quantity of tritium absorbed respectively. Tritium was quantitatively determined through the measurement of beta radioactivity using liquid-scintillation counting techniques. Data suggest that SS316 with a thin film of alumina reduces the total tritium uptake by ~25% relative to uncoated samples. Significantly, such films appear to reduce, by a factor of 200, tritium diffusion into SS316 and therefore constitute an effective barrier against tritium transport. This observation is of practical importance for tritium and, generally, reactive gas handling.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermal properties of U-Mo alloys irradiated under high fission power density

A variety of physical and thermal property measurements made on irradiated U-Mo alloy monolithic fuel samples with a Zr diffusion barrier and clad in Al alloy 6061 are reported. These properties form the basis for additional investigations in thermal behavior of U-Mo fuel under high performance research reactor irradiation conditions. Measurements were performed on samples harvested from fuel plates irradiated under high fission power density and surface heat flux and complement previous measurements on samples subjected to moderate fission power density and surface heat flux. Specific heat capacity of irradiated monolithic U-Mo increases with increasing temperature and fission density, but carries large uncertainties associated with thickness measurements used to determine the mass fraction of the layer constituents for extraction of the U-Mo specific heat capacity, specifically the very thin and nonuniform Zr diffusion barrier. Density of irradiated monolithic U-Mo decreases with increasing fission density resulting from fission gas swelling and porosity formation. Thermal diffusivity of irradiated monolithic U-Mo increased with increasing temperature and decreased with increasing fission density. Thermal conductivity of irradiated monolithic U-Mo increased with increasing temperature, and in general, appeared to decrease and become less sensitive to temperature with increasing fission density. Thermal conductivity measurements compared to a semi-empirical model agreed within ±30%. It is suspected that the main driver in deviation between model calculations and measurements is the fission gas swelling determination, which does not account for fission power density or irradiation temperature.

uranium (U), molybdenum, nuclear fuel, thermal con↗
DOE OSTI2025

Layers Can Be Deceiving: A Hopping Model for Small Molecule Diffusion in TATB Crystal

Sorption of small molecule gases in materials can play a significant role in their long‐term stability and compatibility within multi‐material assemblies. While many material properties of the insensitive high explosive TATB (1,3,5‐triamino‐2,4,6‐trinitrobenzene) are well understood, very little is known regarding its permeability to gases. TATB crystal exhibits a graphitic‐like layered packing structure that evokes a mental schema in which the layers form nanoscopic channels, but it is unclear whether this structure promotes gas transport. Here, we use molecular dynamics (MD) simulations to predict transport of small molecules through TATB single crystal. An approach to fit classical force fields is developed to model TATB interactions with H 2 O, He, Ne, and Ar, which is then combined with steered MD to probe gas transport along selected directions in the crystal. We find that small molecule transport occurs via a hopping mechanism that exhibits distinct jumps between interstitial sites and is substantially faster normal to the layers as compared to through them. This result stems from the finding that intralayer junctions between adjacent TATB molecules are the most stable interstitial sites and that energetic barriers are lower for hopping between adjacent layers. An empirical model for diffusion rate based on the MD data shows that the rate decays exponentially with increasing molecular radius and is negligibly small for all molecules larger than He, including common atmospheric gases. These findings have implications for the interpretation of experiments that measure surface area, material response to extreme conditions, and are expected to help constrain models for material aging.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Corrosion protection of steel pipelines with metal-polymer composite barrier liners

Pipelines are efficient in transporting natural gas over large distances. Wet carbon dioxide present in pipelines can create an environment that is corrosive to steel. Polymer liners made from either polyethylene or polyamide (nylon) are presently used to mitigate internal corrosion in natural gas pipelines. Gas diffuses through all polymers over time, and polymer-only liners lower the steel corrosion rate by reducing the reactive gas flux to the internal surface of a pipeline. Composite liners, which incorporate one or more metallic layers that are impermeable to corrosive gases, offer better protection than polymer-only liners. In this study, we measured the methane, water vapor, and carbon dioxide permeability of a multi-layer barrier film and found it to be more effective in resisting gas permeation than polyethylene and nylon-11 films.

03 NATURAL GAS↗
NASA NTRS1994

Multi-dimensional combustor flowfield analyses in gas-gas rocket engine

The objectives of the present research are to improve design capabilities for low thrust rocket engines through understanding of the detailed mixing and combustions processes. Of particular interest is a small gaseous hydrogen-oxygen thruster which is considered as a coordinated part of an on-going experimental program at NASA LeRC. Detailed computational modeling requires the application of the full three-dimensional Navier Stokes equations, coupled with species diffusion equations. The numerical procedure is performed on both time-marching and time-accurate algorithms and using an LU approximate factorization in time, flux split upwinding differencing in space. The emphasis in this paper is focused on using numerical analysis to understand detailed combustor flowfields, including the shear layer dynamics created between fuel film cooling and the core gas in the vicinity on the nearby combustor wall; the integrity and effectiveness of the coolant film; three-dimensional fuel jets injection/mixing/combustion characteristics; and their impacts on global engine performance.

Tsuei, Hsin-Hua↗
NASA NTRS1995

Effects of energy release on near field flow structure of gas jets

The primary objective is to understand how buoyancy affects the structure of the shear layer, the development of fluid dynamic instabilities, and formation of the coherent structures in the near-nozzle regions of gas jets. The secondary objectives are to study the role of buoyancy in lifting and reattachment process of diffusion flames, to evaluate the scaling behavior of diffusion flames, and to aid development and/or validation of theoretical models by providing quantitative data in the absence of buoyancy. Fast reacting hydrogen or hydrogen-inert fuels are used to isolate the effects of buoyancy on fluid dynamics without masking the flame behavior by soot and radiative heat transfer. This choice of fuel also permits an evaluation of simulating low gravity in low pressure ground experiments because the similarity constraints are relaxed for the fast reacting, nonsooting diffusion flames. The diagnostics consists primarily of a color schlieren system coupled with computer generated rainbow filters, video recording, and image analysis. The project involves (1) drop tower experiments, (2) ground experiments, and (3) theoretical analysis.

Agrawal, Ajay K.↗
NASA NTRS2018

Gas Sensors with Contact Pads

Systems, methods, and other embodiments associated with gas detecting sensors. According to one embodiment, a gas sensor includes a metal layer, a barrier interlayer, a substrate layer, a first insulating layer, a conduction path, a contact pad, and a second insulating layer. The conduction path connects the metal layer to the contact pad. The second insulating layer prevents diffusion through the contact pad, the conduction path, or the metal layer. The sensor includes a wire bonded electrical connection to the contact pad such that voltage can be determined and/or applied.

Xu, Jennifer↗
DOE OSTI2021

Water and Solute Activities Regulate CO 2 Reduction in Gas-Diffusion Electrodes

Electrolysis of CO 2 at gas-diffusion electrodes (GDEs) has typically been limited by the supply of gas to the electrocatalyst, overshadowing the importance of the supply of water. However, at high current densities that approach 1 A cm –2 , where the electrolyte becomes highly concentrated in the catalyst layer of a GDE, the activity of water and solutes deviate from their bulk dilute solution values, potentially slowing reaction rates and changing reaction equilibrium potentials. In addition, as flow plates for the gas stream are introduced to enable larger electrodes and high single pass conversion of CO 2 to product, variations in the gas composition will become important. By drawing upon literature for the oxygen reduction reaction (ORR), here we explain how to account for these effects in future modeling and experimental work, with particular attention to accurate use of the Nernst equation for electrode potentials and the Arrhenius equation for reaction rates. Specifically, using measurements of KOH solvent and solute activity reported in literature, and assuming the second protonation of CO 2 by water as the rate-determining step, we show the Nernst equation dilute-solution approximation of the CO 2 to CO equilibrium potential to be accurate below 5 M KOH, but it has a 74 mV error when increasing the concentration up to 10 M KOH. Finally, a simple one-dimensional model of a serpentine flow-field on a GDE demonstrated that a reactor with constant pressure of 1 bar and 1 A cm –2 at the inlet had only ~0.3 A cm –2 at the outlet for a conversion in CO 2 partial pressure from 0.90 to 0.48 bar, showing the significant practical implications of this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗