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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
NASA NTRS1979

Studies on remote sensing method of particle size and water density distribution in mists and clouds using laser radar techniques

A method of remote measurement of the particle size and density distribution of water droplets was developed. In this method, the size of droplets is measured from the Mie scattering parameter which is defined as the total-to-backscattering ratio of the laser beam. The water density distribution is obtained by a combination of the Mie scattering parameter and the extinction coefficient of the laser beam. This method was examined experimentally for the mist generated by an ultrasonic mist generator and applied to clouds containing rain and snow. Compared with the conventional sampling method, the present method has advantages of remote measurement capability and improvement in accuracy.

Shimizu, H.↗
DOE OSTI2021

Optimal Linear Water Density for Proton Transport in Tunnel Oxides

Proton intercalation and transport is key to pseudocapacitive energy storage of oxide electrodes in acidic electrolytes. Although proton transport in water confined in layered or 2D materials is attracting great interest, much less is known about how the proton is transported in the 1D channels of tunnel oxides such as hexagonal WO 3 (h-WO 3 ). Here, we use first-principles molecular dynamics to reveal an optimal linear density of four water molecules per nanometer that yields the highest proton diffusivity. The volcano shape of proton diffusivity versus linear water density is a result of balancing the linear hydrogen-bond chain and the rotation of the water molecules to enable the Grotthuss mechanism. Furthermore, this insight provides a unifying view of proton transport along a single file of water molecules confined in hydrophilic 1D channels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Distance-dependent dielectric constant at the calcite/electrolyte interface: Implication for surface complexation modeling

Hypothesis: The electrical double layer formed at the mineral/electrolyte interface is often modeled using mean-field approaches based on a continuum description of the solvent whose dielectric constant is assumed to decrease monotonically with decreasing distance to the surface. In contrast, molecular simulations show that the solvent polarizability oscillates near the surface similar to the water density profile - as shown previously, for example, by Bonthuis et al. (D.J. Bonthuis, S. Gekle, R.R. Netz, Dielectric Profile of Interfacial Water and its Effect on Double-Layer Capacitance, Phys Rev Lett 107(16) (2011) 166102). Here, we showed that molecular and mesoscale pictures agree by spatially averaging the dielectric constant obtained from molecular dynamics simulations over the distances relevant to the mean-field representation. In addition, the values of capacitances used to describe the electrical double layer in Surface Complexation Models (SCMs) of the mineral/electrolyte interface can be estimated using molecularly informed spatially averaged dielectric constants and positions of hydration layers. Experiments: First, we used molecular dynamics simulations to model the calcite 101¯4/electrolyte interface. Next, by using atomistic trajectories, we calculated the distance-dependent static dielectric constant and water density in the direction normal to the. Finally, we applied spatial compartmentalization consistent with the model of parallel-plate capacitors connected in series to estimate SCM capacitances. Findings: Computationally expensive simulations are required to determine the dielectric constant profile of interfacial water near the mineral surface. On the other hand, water density profiles are readily assessable from much shorter simulation trajectories. Our simulations confirmed that dielectric and water density oscillations at the interface are correlated. Here, we parametrized linear regression models to estimate the dielectric constant directly from the local water density. This is a significant computational shortcut compared to slowly converging calculations relying on total dipole moment fluctuations. The amplitude of the interfacial dielectric constant oscillation can exceed the dielectric constant of the bulk water, suggesting an ice-like frozen state, but only if there are no electrolyte ions. The interfacial accumulation of electrolyte ions causes a decrease in the dielectric constant due to the reduction of water density and re-orientation of water dipoles in ion hydration shells. Finally, we show how to use the computed dielectric properties to estimate SCM's capacitances.

58 GEOSCIENCES↗
DOE OSTI2025

OH density and water vapor concentration gradients during plasma-droplet interactions

Plasma-droplet interactions significantly promote the reactivity transfer of gas phase species from the plasma to the liquid phase. Nonetheless, experimental studies on the impact of droplet evaporation on reactive species generation in such systems remain scarce. We report the spatial distribution of water vapor and OH radical densities around a droplet (∼41 μm in diameter) in He and He-Ar plasma using laser-induced fluorescence. The results reveal a significant gradient in both water vapor and OH radical concentrations near the droplets. Mutiple droplets present in the plasma can lead to a significant accumulation of water vapor and even local quenching of the discharge. The findings are critical for developing a quantitative understanding of plasma-liquid interactions for a broad range of plasma-enabled applications in the liquid phase often involving OH radicals.

42 ENGINEERING↗
NASA NTRS1982

Rangeland biomass estimation demonstration

Because of their sensitivity to chlorophyll density, green leaf density, and leaf water density, two hand-held radiometers which have sensor bands coinciding with thematic mapper bands 3, 4, and 5 were used to calibrate green biomass to LANDSAT spectral ratios as a step towards using portable radiometers to speed up ground data acquisition. Two field reflectance panels monitored incoming radiation concurrently with sampling. Software routines were developed and used to extract data from uncorrected tapes of MSS data provided in NASA LANDSAT universal format. A LANDSAT biomass calibration curve estimated the range biomass over a four scene area and displayed this information spatially as a product in a format of use to ranchers. The regional biomass contour map is discussed.

Newton, R. W.↗
DOE OSTI2024

Molecular Mechanisms of Sorbed Ion Effects during Boehmite Particle Aggregation

Classical theories of particle aggregation, such as Derjaguin–Landau–Verwey–Overbeek (DLVO), do not explain recent observations of ion-specific effects or the complex concentration dependence for aggregation. Thus, here, we probe the molecular mechanisms by which selected alkali nitrate ions (Na + , K + , and NO 3 –) influence aggregation of the mineral boehmite (γ-AlOOH) nanoparticles. Nanoparticle aggregation was analyzed using classical molecular dynamics (CMD) simulations coupled with the metadynamics rare event approach for stoichiometric surface terminations of two boehmite crystal faces. Calculated free energy landscapes reveal how electrolyte ions alter aggregation on different crystal faces relative to pure water. Consistent with experimental observations, we find that adding an electrolyte significantly reduces the energy barrier for particle aggregation (~3–4×). However, in this work, we show this is due to the ions disrupting interstitial water networks, and that aggregation between stoichiometric (010) basal–basal surfaces is more favorable than between (001) edge–edge surfaces (~5–6×) due to the higher interfacial water densities on edge surfaces. The interfacial distances in the interlayer between aggregated particles with electrolytes (~5–10 Å) are larger than those in pure water (a few Ångströms). Together, aggregation/disaggregation in salt solutions is predicted to be more reversible due to these lower energy barriers, but there is uncertainty on the magnitudes of the energies that lead to aggregation at the molecular scale. By analyzing the peak water densities of the first monolayer of interstitial water as a proxy for solvent ordering, we find that the extent of solvent ordering likely determines the structures of aggregated states as well as the energy barriers to move between them. Further, the results suggest a path for developing a molecular-level basis to predict the synergies between ions and crystal faces that facilitate aggregation under given solution conditions. Such fundamental understanding could be applied extensively to the aggregation and precipitation utilization in the biological, pharmaceutical, materials design, environmental remediation, and geological regimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Observations of internal waves in the Gulf of California by SEASAT SAR

Internal waves which are among the most commonly observed oceanic phenomena in the SEASAT SAR imagery are discussed. These waves are associated with the vertical displacements of constant water density surfaces in the ocean. Their amplitudes are maximum at depths where the water density changes most rapidly usually at depths from 50 to 100 m, whereas the horizontal currents associated with these waves are maximum at the sea surface where the resulting oscillatory currents modulate the sea surface roughness and produce the signatures detected by SAR.

Fu, L. L.↗
NASA NTRSDate not supplied

Evaluating Combined Lidar and Polarimeter Measurements of Cloud Top Parameters (Extinction, Scattering Cross Sections, and Droplet Number Density, Liquid Water Content)

We present a new method to derive profiles of extinction from a lidar which is then combined with polarimeter measurements to derive cloud droplet number density (CDNC) in the tops of warm clouds. The method employs polarization-sensitive elastic backscatter lidar measurements to estimate attenuation of the lidar signal within the cloud and polarimeter estimates of cloud droplet size distributions. The measurements used for this demonstration are from NASA Langley Research Center’s High Spectral Resolution Lidar – Generation 2 (HSRL-2) and NASA GISS’s Research Scanning Polarimeter (RSP). The measurements were acquired on NASA’s ACTIVATE mission, during which the instruments were deployed in a down-looking mode from a high-altitude aircraft, which flew in coordination with a low-flying aircraft acquiring coincident in situ measurements of cloud droplet size and number. The high vertical (1.25 m) and horizontal (~50 m) sampling resolution of the HSRL-2 data enabled retrievals of single-scattering extinction profiles to within ~2.5 optical depths of cloud top. Another key feature of the method was the well-calibrated measurement of backscatter at cloud top due to using the HSRL technique. The RSP retrievals of cloud droplet effective radius and variance were accomplished using the “cloud-bow” technique. Overall, the technique provides extinction profile estimates for the top 2.5 optical depths of water clouds that can be used to estimate the cloud droplet number density in various types of warm clouds. The mean extinction values at cloud top (0-1 optical depth) are compared against cloud drop size and number concentration acquired from wing-mounted probes (e.g., DMT Cloud Droplet Probe - CDP, SPEC Fast Cloud Droplet Probe FCDP, and SPEC 2D Stereo Probe - 2DS) that were deployed on the low-flying aircraft. Comparisons between the effective radius and variance from the polarimeter, lidar ratio (extinction to backscatter) from the lidar and polarimeter, and LWC are also presented. All measurements were acquired over the Western North Atlantic over 3 years from 2020 to 2022.

lidar↗
NASA NTRS2017

Magnetic Resonance Imaging of Ventilation and Perfusion in the Lung

Methods, devices, and systems are disclosed for implementing a fully quantitative non-injectable contrast proton MRI technique to measure spatial ventilation-perfusion (VA/Q) matching and spatial distribution of ventilation and perfusion. In one aspect, a method using MRI to characterize ventilation and perfusion in a lung includes acquiring an MR image of the lung having MR data in a voxel and obtaining a breathing frequency parameter, determining a water density value, a specific ventilation value, and a perfusion value in at least one voxel of the MR image based on the MR data and using the water density value to determine an air content value, and determining a ventilation-perfusion ratio value that is the product of the specific ventilation value, the air content value, the inverse of the perfusion value, and the breathing frequency.

Prisk, Gordon Kim↗
DOE OSTI2020

Moving beyond the Solvent-Tip Approximation to Determine Site-Specific Variations of Interfacial Water Structure through 3D Force Microscopy

Although interfacial solution structure impacts environmental, biological, and technological phenomena, including colloidal stability, protein assembly, heterogeneous nucleation, and water desalination, its molecular details remain poorly understood. Here, we visualize the three-dimensional (3D) hydration structure at the boehmite(010)-water interface using fast force mapping (FFM). Using a self-consistent scheme to decouple long-range tip-sample interactions from short-range solvation forces, we obtain the solution structure with lattice resolution. The results are benchmarked against molecular dynamics simulations that explicitly include the effects of the tip with different levels of approximation and systematically account for tip size, chemistry, and confinement effects. We find four laterally structured water layers within 1 nm of the surface, with the highest water densities at sites adjacent to hydroxyl groups. The key features beyond the first two layers can only be predicted using a full-scale simulation of the boehmite-water-silica system. Our findings further reveal a complex relationship between site-specific chemistry, water density, and long-range particle interactions; and present important advances toward quantitative data interpretation in 3D FFM.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Durable Thin‐Film Porous Transport Electrodes for High Current Density PEM Water Electrolysis

Proton exchange membrane water electrolyzers rely on relatively expensive Ir-based catalysts for efficient and durable hydrogen production. To reduce system costs, Ir loadings can be reduced if performance and durability are maintained. Sputter deposition is a readily scalable method to synthesize uniform, low-loading catalyst layers with controlled composition. A catalyst applied directly to the porous transport layer can have advantages for performance, manufacturing simplicity, and catalyst recovery. Suitable porous transport layer porosity can minimize activity losses when reducing loadings. Here, methods are presented to deposit metallic Ir as well as amorphous and rutile Ir oxides. The activity and durability of these materials in the porous transport electrode architecture is evaluated. The metallic and amorphous forms have better initial activity, however, operation at 3 A cm −2 with 0.1 mg Ir cm −2 shows that only rutile IrO 2 maintains performance beyond 100 h with a 50 mV improvement after 700 h. A >10x reduced dissolution rate is shown for rutile IrO 2 . With a low-porosity transport layer and 0.4 mg Ir cm −2 , a steady-state voltage decay rate of 6 µV h −1 is achieved. The results demonstrate that sputter-deposited rutile IrO 2 porous transport electrodes with low Ir loading can be operated at high current density to reduce hydrogen production costs.

08 HYDROGEN↗
DOE OSTI2021

Observation of a highly conductive warm dense state of water with ultrafast pump–probe free-electron-laser measurements

The electrical conductivity of water under extreme temperatures and densities plays a central role in modeling planetary magnetic fields. Experimental data are vital to test theories of high-energy-density water and assess the possible development and presence of extraterrestrial life. These states are also important in biology and chemistry studies when specimens in water are confined and excited using ultrafast optical or free-electron lasers (FELs). Here we utilize femtosecond optical lasers to measure the transient reflection and transmission of ultrathin water sheet samples uniformly heated by a 13.6 nm FEL approaching a highly conducting state at electron temperatures exceeding 20 000 K. The experiment probes the trajectory of water through the high-energy-density phase space and provides insights into changes in the index of refraction, charge carrier densities, and AC electrical conductivity at optical frequencies. At excitation energy densities exceeding 10 MJ/kg, the index of refraction falls to n = 0.7, and the thermally excited free-carrier density reaches ne = 5 × 1027 m−3, which is over an order of magnitude higher than that of the electron carriers produced by direct photoionization. Significant specular reflection is observed owing to critical electron density shielding of electromagnetic waves. The measured optical conductivity reaches 2 × 104 S/m, a value that is one to two orders of magnitude lower than those of simple metals in a liquid state. At electron temperatures below 15 000 K, the experimental results agree well with the theoretical calculations using density-functional theory/molecular-dynamics simulations. With increasing temperature, the electron density increases and the system approaches a Fermi distribution. In this regime, the conductivities agree better with predictions from the Ziman theory of liquid metals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Nanobubble Formation and Coverage during High Current Density Alkaline Water Electrolysis

Gas bubbles are a necessary byproduct of water electrolysis whereby hydrogen and oxygen are produced from water. These attached gases reduce the electrode’s active area, which necessitates a deep understanding of the bubble life cycle starting from nanobubbles. Synchronized with the electrochemistry, the time evolution of the surface nanobubble size and coverage is resolved using grazing incidence small-angle X-ray scattering (GISAXS) and correlated with optical microscopy and theoretical calculations to show that a significant portion of the surface is covered in nanobubbles after larger micron-sized bubbles are observed. Further, these nanobubbles increase in number and decrease in size, toward 2 nm diameter, with the charge passed. The trend in size and number is consistent with an increase in supersaturation, which reduces the nascent bubble size. Altogether, this study suggests a significant portion of the surface contains nanobubbles and that strategies to reduce the dissolved hydrogen would be effective at reducing the nanobubble surface coverage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Southern Ocean Response to NADW Changes

The possibility of North Atlantic Deep Water (NADW) changes in both past and future climates has raised the issue of how the Southern Ocean would respond. Recent experiments with the GISS coupled atmosphere-ocean model have shown that a "bipolar see-saw" between NADW production and Antarctic Bottom Water (AABW) production in the Weddell Sea can occur in conjunction with freshening of the North Atlantic. However, this effect operates not through a slow ocean response but via a rapid atmospheric mechanism. As NADW reduces, colder temperatures in the North Atlantic, and Northern Hemisphere in general, are associated with higher surface pressure (increased atmospheric mass). Reduced mass in the Southern Hemisphere occurs in response, with lower pressure over the South Pole (an EOF #1 effect, the "high phase" of the Antarctic Oscillation).The lower pressure is associated with stronger west winds that generate an intensified Antarctic Circumpolar Current (ACC), which leads to longitudinal heat divergence in the South Atlantic (and heat convergence in the Southern Indian Ocean). Colder temperatures in the Weddell Sea region lead to sea ice growth, increased salinity and surface water density, and greater Weddell Sea Bottom Water production. Increased poleward transport of heat occurs in the South Atlantic in conjunction with increased bottom water production, but its convergence at high latitudes is not sufficient to offset the longitudinal heat divergence due to the intensified ACC. The colder temperatures at high latitudes in the South Atlantic increase the latitudinal temperature gradient, baroclinic instability, eddy energy and eddy poleward transport of momentum, helping to maintain the lower pressure over the pole in an interactive manner. The heat flux convergence in the Indian Ocean provides a warming tendency in that region, and overall global production of AABW remains unchanged. These results have implications for the interpretation of the ice core records of the last deglaciation, but may also be relevant for changes during the Holocene and perhaps even in response to increased CO2 forcing,

Rind, David↗
NASA NTRS2024

Temporary Atmospheres Produced By Human Activities on the Moon

Outgassing from materials, whether through the ascent/descent stages of lunar vehicles, airlock depressurizing, rover or astronaut suit outgassing, may cause an effect of unwanted accumulation of volatiles at the surface and exosphere. This is especially important at (or proximal) to permanently shadowed regions (PSRs) at the lunar poles. Herein, we provide estimates of expected outgassing from various human-landed objects on the Moon, including backpacks, airlocks, rovers, landers, trash and mining operations. Astronaut suits produce some level of oxygen outgassing (Helou et al., 2022), which may transport and condense in these PSRs, even in micro- cold traps (Glavin et al., 2010).We estimate the outgassing from drill mining and trash-to-gas conversion assuming a specific technology is operating. These outgassing systems can create local, temporary atmospheres in the vicinity (∼100 km radius) of the sources. The atmosphere may be particularly high within meters of the source. To obtain column densities for these temporary atmospheres, we first bracket ranges for the gas number loss as a function of time. We then derive the maximum distance traveled and the time the released molecules remain in the exosphere for a single ballistic hop, assuming the molecules are ejected from the surface of the object at its surface temperature. In some cases, such as the astronaut backpack and the rover, the temperature is that of the source. Given this information, an average and peak local exospheric density and column density can be estimated. We find that backpacks, airlock releases, and the Starship lander can create relatively high-density local atmospheres, with local near-lander outgassing water densities exceeding 107/cm3. This local water exosphere is over 106 times greater than the LADEE-derived lower limit of the natural water exosphere at ∼3/cm3. Thus, the anthropogenic temporary water exosphere will likely dominate the environment near the lander, making an assessment of the natural exospheric water environment difficult.

Rosemary M Killen↗
NASA NTRS1988

Radiative aspects of Antarctic ozone hole in 1985

In order to investigate the radiative heating effects of aerosols during September - October, 1985, at Antarctica, researchers solved the radiative transfer equation using a one-dimensional model, which includes the absorption of solar energy by water vapor, carbon dioxide, ozone and aerosols, the thermal emission and absorption by the above species and in addition, Rayleigh and Mie scattering, and the surface scattering effects. In this calculation, they used data of ozone density, water vapor density and aerosol extinction at 0.385, 0.453, 0.525 and 1.02 mu m in the stratosphere obtained by SAGE II satellite and meteorological data from NOAA. Results show that the Antarctic stratosphere is nearly in radiative equilibrium during that period, if the effects of aerosols are excluded. It is also shown that the heating effects of aerosols are too small to cause effective upward motions, in spite of some ambiguous parameters such as aerosol composition. The parameter dependences of results are also discussed.

Akiyoshi, H.↗
NASA NTRS1991

Excitation of millimeter and submillimeter water masers

The excitation of maser emission in millimeter and submillimeter transitions of interstellar and circumstellar water is considered. An escape probability method is used to determine the equilibrium populations in 349 rotational states of both ortho- and para-water under varying conditions of gas temperature, density, water abundance, and radiation field. It is shown that, under those conditions believed to prevail around late-type stars and within star-forming regions, strong millimeter and submillimeter water maser emission can be generated by collisional excitations by H2. Several maser transitions can have strengths close to that of the 22 GHz line. The water maser line which can be observed from mountaintop facilities and those which will require air- or space-borne platforms are indicated. The exact portion of parameter space in which each maser transition exhibits peak emission is shown.

Neufeld, David A.↗