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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Probing Surface Hydration and Isotope Exchange Kinetics in Proton-Conducting Ceramics Using DRIFTS and EIS

This internship project investigates how water vapor partial pressure (pH2O) affects surface hydration and H/D isotope-exchange kinetics in BaZr0.4Ce0.4Y0.1Yb0.1O3?d (4411) proton-conducting ceramic electrolytes. Diffuse reflectance infrared Fourier-transform spectroscopy (DRIFTS) is used to monitor surface hydroxyl and deuteroxyl species under controlled humidified atmospheres during gas-switching experiments. These surface kinetic trends are to be correlated with bulk, grain-boundary, and total electrolyte resistance measured by electrochemical impedance spectroscopy (EIS) under matching conditions. The future goals of this study are to clarify the relationship between surface hydration dynamics and proton conduction behavior, improving interpretation of EIS data and guiding the optimization of ceramic electrolytes for energy applications.

08 - HYDROGEN↗
NASA NTRS2015

Epithermal Neutron Evidence for a Diurnal Surface Hydration Process in the Moon's High Latitudes

We report evidence from epithermal neutron flux observations that show that the Moon's high latitude surfaces are being actively hydrated, dehydrated and rehydrated in a diurnal cycle. The near-surface hydration is indicated by an enhanced suppression of the lunar epithermal neutron leakage flux on the dayside of the dawn terminator on poleward-facing slopes (PFS). At 0600 to 0800 local-time, hydrogen concentrations within the upper 1 meter of PFS are observed to be maximized relative to equivalent equator-facing slopes (EFS). During the lunar day surface hydrogen concentrations diminish towards dusk and then rebuild overnight. Surface hydration is determined by differential comparison of the averaged EFS to PFS epithermal neutron count rates above +/- 75 deg latitude. At dawn the contrast bias towards PFS is consistent with at least 15 to 25 parts-per-million (ppm) hydrogen that dissipates by dusk. We review several lines of evidence derived from temperature and epithermal neutron data by a correlated analysis of observations from the Lunar Reconnaissance Orbiter's (LRO) Lunar Exploration Neutron Detector (LEND) that were mapped as a function of lunar local-time, Lunar Observing Laser Altimeter (LOLA) topography and Diviner (DLRE) surface temperature.

diurnal cycles↗
NASA NTRS2022

Simulated Lunar Surface Hydration Measurements using Multispectral Lidar at 3 µm

Accurately measuring the variability of spectroscopic signatures of hydration (H2O + OH) on the illuminated lunar surface at 3 µm as a function of latitude, lunar time of day, and composition is crucial to determining the generation and destruction mechanisms of OH species and understanding the global water cycle. A prime complication in analysis of the spectroscopic feature is the accurate removal of thermal emission, which can modify or even eliminate the hydration feature depending on the data processing methods used and assumptions made. An orbital multispectral lidar, with laser illumination at key diagnostic wavelengths, would provide uniform, zero-phase geometry, complete latitude and time of day coverage from a circular polar orbit, and is agnostic to the thermal state of the surface. We have performed measurement simulations of a four-wavelength multispectral lidar using spectral mixtures of hydrated mid-ocean ridge basalt (MORB) glasses and lunar regolith endmembers to assess the lidar performance in measuring hydration signatures on the lunar surface. Our results show a feasible system with wavelengths at 1.5 µm, 2.65 µm, 2.8 µm, and 3.1 µm can measure lunar hydration with a precision of 52 ppm (1σ) or better. These results, combined with the uniform measurement capabilities of multispectral lidar make it a valuable spectroscopic technique for elucidating mechanisms of OH/H2O generation, migration, and destruction.

D. R. Cremons↗
DOE OSTI2024

Anatase TiO 2 Surface Hydration: Infrared Vibrational Assignment and Facet-Specific Stability

Anatase TiO 2 nanoparticles support a subtle diversity of surface aqua and hydroxy coordination environments that are characteristic of distinct facets and defect sites. The disparate properties and stability of each molecularly or dissociatively absorbed water environment may provide unique reactivity for facet- and site-selective atomic layer deposition (ALD). Here we probe the temperature-dependent and facet-specific stretching frequency and stability of surface hydroxyls on faceted anatase TiO 2 nanoparticles via in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). Well-defined truncated octahedra, disks, and rods fabricated through hydrothermal synthesis present dominant (101), (001), and (010) facets, respectively. The selective dehydration of discrete local coordination environments as a function of temperature provides a potential pathway to site-selective and facet-selective ALD on metal oxide nanomaterials.

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

Surface Hydration of Porous Nickel Hydroxides Facilitates the Reversible Adsorption of CO 2 from Ambient Air

Direct air capture (DAC) under humid ambient conditions typically requires the use of organic components, with sorbents that are purely inorganic in composition for the most part operating hundreds of degrees above room temperature. In this work, we report porous metal hydroxides as a novel class of water-tolerant, oxidatively and hydrothermally stable low-temperature sorbents that exhibit competitive DAC working capacities of 1.25 mmol/g over 5 consecutive temperature swing adsorption–desorption cycles in the presence of steam and oxygen. Aqueous miscible organic solvent treatments are used to create highly porous structures with surface areas exceeding 700 m 2 /g that capture CO 2 in the form of bicarbonates under dry conditions, and carbonates under wet conditions. Water exerts a facilitative rather than an inhibiting effect on CO 2 binding, and the presence of hydrating multilayers serves to stabilize carbonate species akin to moisture swing adsorbents except for the fact that solvation results in a remarkable (upto 10-fold) increase, not decrease, in DAC capacity. High-valent doping with cerium is used to improve DAC capacities by amplifying surface basicity, evidencing porous nickel hydroxides specifically (and porous metal hydroxides more generally) as a novel class of robust, earth-abundant DAC sorbents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Zirconium fluoride glass - Surface crystals formed by reaction with water

The hydrated surfaces of a zirconium barium fluoride glass, which has potential for application in optical fibers and other optical elements, were observed by scanning electron microscopy. Crystalline zirconium fluoride was identified by analysis of X-ray diffraction patterns of the surface crystals and found to be the main constituent of the surface material. It was also found that hydrated zirconium fluorides form only in highly acidic fluoride solutions. It is possible that the zirconium fluoride crystals form directly on the glass surface as a result of its depletion of other ions. The solubility of zirconium fluoride is suggested to be probably much lower than that of barium fluoride (0.16 g/100 cu cm at 18 C). Dissolution was determined to be the predominant process in the initial stages of the reaction of the glass with water. Penetration of water into the glass has little effect.

Doremus, R. H.↗
DOE OSTI2025

Probing the proton exchange kinetics of BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3− δ ceramic electrolyte by operando diffuse reflectance infrared Fourier transform spectroscopy

Proton exchange kinetics plays an important role in governing the performance of intermediate-temperature protonic ceramic electrolysis cells (PCECs) for hydrogen production. Our understanding of the nature of the surface hydration reaction at the single-cell level, however, remains very limited, hampering further efficiency improvements. Here, in this study, we developed a custom operando diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) platform that operates under high temperature and steam conditions with applied bias. Quantitative investigations of surface H 2 O/D 2 O isotope exchange in a BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3−δ (BZCYYb1711) protonic electrolyte-based single cell were conducted under different applied voltages using this DRIFTS platform, to gain molecular-level insight into hydration kinetics. The findings show that the application of an external voltage significantly enhances the surface proton exchange rate, decreasing the apparent activation energy from 29.1 kJ mol −1 at open-circuit voltage (OCV) to 6.8 kJ mol −1 at 1.3 V. In addition, distinct voltage-induced spectral shifts in O–D vibrations point to dynamic changes in surface hydration. These findings demonstrate a sensitive spectroscopic platform for probing interfacial proton processes and reveal strong electrochemical control over surface proton kinetics, offering new opportunities for probing electrolyte hydration behavior in PCECs.

36 - MATERIALS SCIENCE↗
NASA NTRS2017

Background and Lunar Neutron Populations Detected by LEND and Average Concentration of Near-Surface Hydrogen near the Moon's Poles

Neutron flux measurements by the Lunar Exploration Neutron Detector (LEND) on the Lunar Reconnaissance Orbiter (LRO) enable quantifying hydrogen-bearing volatiles in the lunar surface from orbit. Accurately determining hydrogen abundance requires discriminating between the instrument background detection rate and the population of lunar-sourced neutrons that are sensitive to surficial hydrogen. We have investigated the detection rate for lunar and non-lunar (spacecraft-sourced) neutrons in LEND by modeling maps of measured count rate in three LEND detector systems using linear combinations of maps compiled from LEND detectors and from the Lunar Prospector Neutron Spectrometer. We find that 30% of the global-average 24.926 +/- 0.020 neutron counts per second (cps) detected by the LEND STN3 thermal-energy neutron sensor are lunar-sourced neutrons in the thermal energy range (E < 0.4 eV), 65% are lunar-sourced neutrons in the epithermal and fast energy range (E > 0.4 eV), and 5% are from spacecraft-sourced background signal. In the SETN epithermal neutron detector, 90% of the 10.622 +/- 0.002 neutron detections per second are consistent with a lunar source of epithermal and fast neutrons combined (E > 0.4 eV), with 3% due to lunar-sourced thermal neutron leakage into the detector (E < 0.4 eV), and background signal accounting for 7% of total detections. Background signal due to spacecraft-derived neutrons is substantial in the CSETN collimated detector system, accounting for 57% of the global average detection rate of 5.082 +/- 0.001 cps, greater than the 48% estimated from cruise-phase data. Lunar-sourced epithermal and fast neutrons account for 43% of detected neutrons, including neutrons in collimation as well as neutrons that penetrate the collimator wall to reach the detector. We estimate a lower limit of 17% of lunar-sourced neutrons detected by CSETN are epithermal neutrons in collimation (0.37 cps), with an upper limit estimate of 54 +/- 11% of lunar-sourced neutrons received in collimation, or 1.2 +/- 0.2 cps global average. The pole-to-equator contrast ratio in epithermal and high-energy epithermal neutron flux indicates that the average concentration of hydrogen in the polar regolith above 80deg north or south latitude is ∼105 ppmw (parts per million by weight), or 0.095 +/- 0.01 wt% water-equivalent hydrogen. Above 88deg north or south, the concentration increases to ∼140 ppmw, or 0.13 +/- 0.02 wt% water-equivalent hydrogen. The similar pattern of neutron flux suppression at both poles suggests that hydrogen concentration generally increases nearer the pole and is not closely associated with a specific feature such as Shackleton Crater at the lunar south pole that has no northern counterpart. Epithermal neutron flux decreases with increasing latitude outside the polar regions, consistent with surface hydration that increases with latitude if that hydration extends to ∼13-40 cm into the surface.

T A Livengood↗
NASA NTRS2018

Background and Lunar Neutron Populations Detected by LEND and Average Concentration of Near-Surface Hydrogen near the Moon's Poles

Neutron flux measurements by the Lunar Exploration Neutron Detector (LEND) on the Lunar Reconnaissance Orbiter (LRO) enable quantifying hydrogen-bearing volatiles in the lunar surface from orbit. Accurately determining hydrogen abundance requires discriminating between the instrument background detection rate and the population of lunar-sourced neutrons that are sensitive to surficial hydrogen. We have investigated the detection rate for lunar and non-lunar (spacecraft-sourced) neutrons in LEND by modeling maps of measured count rate in three LEND detector systems using linear combinations of maps compiled from LEND detectors and from the Lunar Prospector Neutron Spectrometer. We find that 30% of the global-average 24.926 0.020 neutron counts per second (cps) detected by the LEND STN3 thermal-energy neutron sensor are lunar-sourced neutrons in the thermal energy range (E < 0.4 eV), 65% are lunar-sourced neutrons in the epithermal and fast energy range (E > 0.4 eV), and 5% are from spacecraft-sourced background signal. In the SETN epithermal neutron detector, 90% of the 10.622 0.002 neutron detections per second are consistent with a lunar source of epithermal and fast neutrons combined (E > 0.4 eV), with 3% due to lunar-sourced thermal neutron leakage into the detector (E < 0.4 eV), and background signal accounting for 7% of total detections. Background signal due to spacecraft-derived neutrons is substantial in the CSETN collimated detector system, accounting for 57% of the global average detection rate of 5.082 0.001 cps, greater than the 48% estimated from cruise-phase data. Lunar-sourced epithermal and fast neutrons account for 43% of detected neutrons, including neutrons in collimation as well as neutrons that penetrate the collimator wall to reach the detector. We estimate a lower limit of 17% of lunar-sourced neutrons detected by CSETN are epithermal neutrons in collimation (0.37 cps), with an upper limit estimate of 54 11% of lunar-sourced neutrons received in collimation, or 1.2 0.2 cps global average. The pole-to-equator contrast ratio inepithermal and high-energy epithermal neutron flux indicates that the average concentration of hydrogen in the polar regolith above 80 north or south latitude is ~105 ppmw (parts per million by weight), or 0.095 0.01 wt% water-equivalent hydrogen. Above 88 north or south, the concentration increases to ~140 ppmw, or 0.13 0.02 wt% water-equivalent hydrogen. The similar pattern of neutron flux suppression at both poles suggests that hydrogen concentration generally increases nearer the pole and is not closely associated with a specific feature such as Shackleton Crater at the lunar south pole that has no northern counterpart. Epithermal neutron flux decreases with increasing latitude outside the polar regions, consistent with surface hydration that increases with latitude if that hydration extends to ~13-40 cm into the surface.

Livengood, Timothy A.↗
NASA NTRS1971

Effect of surface moisture on dielectric behavior of ultrafine BaTiO3 particulates.

The effects of adsorbed H2O on the dielectric properties of ultrafine BaTiO3 particulates of varying particle size and environmental history were determined. The dielectric behavior depends strongly on surface hydration. No particle size dependence of dielectric constant was found for dehydroxylated surfaces in ultrafine particulate (unsintered) BaTiO3 materials. For equivalent particle sizes, the ac conductivity is sensitive to surface morphology. Reactions with H2O vapor appear to account for the variations in dielectric properties. Surface dehydration was effectively accomplished by washing as-received powders in isopropanol.

Mountvala, A. J.↗
NASA NTRS2003

Detecting Near-Surface Water and Hydrate Minerals on Mars from a Rover, Penetrator, or Borehole: The HYDRA Instrument

One of the major goals of near term NASA Mars exploration is to identify exact locations of near-surface water or hydrated minerals on Mars. Evidence for the existence of recent nearsurface water on Mars underscores the need for developing instrumentation that can identify water or hydrated minerals very near the surface. Further encouraging evidence of surface and near-surface water and hydrate minerals on Mars comes from neutron spectrometer measurements aboard Mars Odyssey. Preliminary results show very large regions of high hydrogen content poleward of 60 deg. latitude, as well as interesting features closer to the equator. However, spatial resolution from orbit is very poor, approx. 400 km. The next logical step is to use in-situ or near-surface investigations to map in detail some of the most interesting features. Relatively simple instrumentation based on He-3 gas proportional counters were shown to be highly successful on the Lunar Prospector mission in identifying even low levels of enhanced hydrogen abundances. Here we discuss HYDRA, a water- and hydrate-sensing instrument currently being developed under the NASA Mars Instrument Development Program (MIDP). HYDRA is based on Lunar Prospector technology, and is intended as a rover body-mounted instrument, or an instrument on an aerobot, penetrator, hard lander on the surface of Mars, or for borehole stratigraphy applications. Our proposed instrument would be ideal for such platforms as it would be small (less than 7 cm diameter by 10 cm long), low mass (less than 500 g), low power (less than 1W), and have a low data volume per measurement. We use neutron spectrometry (a) because of its proven ability to uniquely detect and quantify hydrogen abundance, and (b) because the resources required by this approach (weight, power, size, telemetry bandwidth, and measurement time) are extremely low. This compact neutron spectrometer package, comprised of two small He-3 gas proportional counters, offers superior sensitivity, extensive flight heritage, and inherent ruggedness. These tubes have survived approx. 1500 g's of acceleration in penetrator tests. In a landed application, HYDRA would help address many topics of interest to the Mars Exploration and Astrobiology communities: (a) nature and origin of stratified deposits; (b) water cycle(s) and temporal changes; (c) early water oceans, aquifers, precipitation; (d) current extent/location/state of water; (e) polar cap processes and temporal changes; (f) where extremeophiles could survive on Mars; (g) paleoclimate surface signatures and modeling; (h) strategies for future Mars exploration.

R C Elphic↗
DOE OSTI2024

Hierarchical Ion Interactions in the Direct Air Capture of CO 2 at Air/Aqueous Interfaces

The direct air capture (DAC) of CO 2 using aqueous solvents is plagued by slow kinetics and interfacial barriers that limit effectiveness in combating climate change. Functionalizing air/aqueous surfaces with charged amphiphiles shows promise in accelerating DAC; however, insight into these interfaces and how they evolve in time remains poorly understood. Specifically, competitive ion interactions between DAC reagents and reaction products feedback onto the interfacial structure, thereby modulating interfacial chemical composition and overall function. In this work, we probe the role of glycine amino acid anions (Gly - ), an effective CO 2 capture reagent, that promotes the organization of cationic oligomers at air/aqueous interfaces. These surfaces are probed with vibrational sum frequency generation spectroscopy and molecular dynamics simulations. Our findings demonstrate that the competition for surface sites between Gly - and captured carbonaceous anions (HCO 3 - , CO 3 2 -, carbamates) drives changes in surface hydration, which in turn tunes oligomer ordering. This phenomenon is related to a hierarchical ordering of anions at the surface that are electrostatically attracted to the surface and their ability to compete for interfacial water. These results point to new ways to tune interfaces for DAC via stratification of ions based on relative surface propensities and specific ion effects.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2001

Initiation of Martian Outflow Channels: Related to the Dissociation of Gas Hydrate?

We propose that the disruption of subpermafrost aquifers on Mars by the thermal- or pressure-induced dissociation of methane hydrate may have been a frequent trigger for initiating outflow channel activity. This possibility is raised by recent work that suggests that significant amounts of methane and gas hydrate may have been produced within and beneath the planet's cryosphere. On Earth, the build-up of overpressured water and gas by the decomposition of hydrate deposits has been implicated in the formation of large blowout features on the ocean floor. These features display a remarkable resemblance (in both morphology and scale) to the chaotic terrain found at the source of many Martian channels. The destabilization of hydrate can generate pressures sufficient to disrupt aquifers confined by up to 5 kilometers of frozen ground, while smaller discharges may result from the water produced by the decomposition of near-surface hydrate alone.

Max, Michael D.↗
DOE OSTI2026

Phase Transformation and Water Adsorption Behavior of As‐Deposited and Annealed Ru Metal Thin Films Prepared by Atomic Layer Deposition

ABSTRACT Surfaces play a central role in catalytic processes, and understanding the transformation of ruthenium metal into ruthenium oxide during annealing is essential for tailoring functional catalytic interfaces. In this study, we systematically investigate ≈22 nm thick Ru metal films deposited by atomic layer deposition (ALD) at 300°C, focusing on their chemical composition, structural evolution, and surface hydration behavior following post‐deposition annealing in air from 400 to 600°C. Lab‐based and synchrotron X‐ray photoelectron spectroscopy (XPS) reveal a gradual conversion from metallic Ru to fully oxidized Ru 4+ with increasing annealing temperature, accompanied by a corresponding increase in lattice oxygen. X‐ray diffraction (XRD) shows amorphous Ru oxide phases at 400°C and 500°C that evolve into crystalline RuO 2 at 600°C, while atomic force microscopy (AFM) indicates enhanced grain growth and surface roughening upon annealing. Ambient‐pressure XPS (AP‐XPS) under controlled H 2 O vapor environments (1–17 Torr) demonstrates that samples annealed at 400°C and 500°C exhibit initially high hydroxyl coverage that decreases with increasing water vapor pressure, concurrent with a rise in molecular H 2 O adsorption. In contrast, the crystalline RuO 2 surface formed at 600°C maintains stable hydroxylation and supports increased water uptake. Overall, this work provides fundamental insight into Ru oxide–H 2 O interactions and establishes design principles for engineering oxide surfaces optimized for electrocatalytic applications.

APXPS↗
NASA NTRS2020

Telescopic Observations of Lunar Hydration: Variations and Abundance

Prior to 2009, the Moon was believed to be anhydrous. However, observations by three spacecraft revealed a hydrated surface by reporting a 3 μm absorption band attributed to hydroxyl and possibly molecular water. The Moon Mineralogy Mapper (M3) spectrometer, onboard the Chandrayaan-1 spacecraft is mainly used to study the lunar 3 μm band but its spectral range ends at 3 μm. The limited wavelength range of M3 has allowed observed variations in the 3 μm band to be called into question due to uncertainties in thermal corrections. To investigate the validity of variations in the lunar 3 μm band, we used the SpeX infrared spectrograph at the NASA InfraRed Telescope Facility at Maunakea Observatory in Hawaiʻi. With SpeX, we are able to obtain lunar data over a wavelength range of 1.67 to 4.2 μm at 1 – 2 km spatial resolution. The long wavelengths provide strong constraints on thermal emission corrections. We confirm that the 3 μm band varies with lunar time of day as well as with latitude and composition. Each observation reveals strong variations in abundances of hydroxyl and possibly molecular water. The data reveal a decrease in abundance with increasing lunar local time, an asymmetric trend about the equator that favors the southern latitudes, and higher concentrations in highland regions. The longer wavelengths provided by SpeX have allowed us to examine variations in the 3 μm band and provide definitive evidence that the variations are due to changes in hydration.

C. I. Honniball↗
DOE OSTI2024

Decoupling of the onset of anharmonicity between a protein and its surface water around 200 K

The protein dynamical transition at ~200 K, where the biomolecule transforms from a harmonic, non-functional form to an anharmonic, functional state, has been thought to be slaved to the thermal activation of dynamics in its surface hydration water. Here, by selectively probing the dynamics of protein and hydration water using elastic neutron scattering and isotopic labeling, we found that the onset of anharmonicity in the two components around 200 K is decoupled. The one in protein is an intrinsic transition, whose characteristic temperature is independent of the instrumental resolution time, but varies with the biomolecular structure and the amount of hydration, while the one of water is merely a resolution effect.

59 BASIC BIOLOGICAL SCIENCES↗