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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

High Pressure Cosmochemistry of Major Planetary Interiors: Laboratory Studies of the Water-rich Region of the System Ammonia-water

The behavior of gas-ice mixtures in major planets at very high pressures was studied. Some relevant pressure-temperature-composition (P-T-X) regions of the hydrogen (H2)-helium (He)-water (H2O-ammonia (NH3)-methane (CH4) phase diagram were determined. The studies, and theoretical model, of the relevant phases, are needed to interpret the compositions of ice-gas systems at conditions of planetary interest. The compositions and structures of a multiphase, multicomponent system at very high pressures care characterized, and the goal is to characterize this system over a wide range of low and high temperatures. The NH3-H2O compositions that are relevant to planetary problems yet are easy to prepare were applied. The P-T surface of water was examined and the corresponding surface for NH3 was determined. The T-X diagram of ammonia-water at atmospheric pressure was studied and two water-rich phases were found, NH3-2H2O (ammonia dihydrate), which melts incongruently, and NH3.H2O (ammonia monohydrate), which is nonstoichiometric and melts at a higher temperature than the dihydrate. It is suggested that a P-T surface at approximately the monohydrate composition and the P-X surface at room temperature is determined.

Nicol, M.↗
DOE OSTI2023

Effect of Solvent on the Interaction of Lignin with a Zeolite Nanosheet in the Condensed Phase

Lignin is the essential building block of lignocellulosic biomass, an excellent renewable source of different aromatic monomers for the polymer and biofuel industry. The depolymerization of lignin into value-added chemicals and fuels through the catalytic process poses a significant challenge due to the complex structure of lignin. Understanding lignin’s conformational diversity and dynamics in the liquid phase is crucial to designing an effective depolymerization process. Here, we conducted all-atom molecular dynamics simulations to understand the conformation and dynamics of softwood lignin on the all-silica zeolite nanosheet based on the MFI topology in a binary mixture of water–methanol at three different molar compositions (0%, 50%, and 100% methanol). We observed that the methanol–surface interaction is stronger than the water–surface interaction, and methanol readily diffused into the MFI core. Lignin surface contacts decrease with increasing methanol composition due to higher solubility and dynamics. Lignin dynamics on the surface in neat water is an order of magnitude smaller than methanol. Here, we also found that lignin adopts a slightly extended conformation when it stays on the surface than in the bulk solution phase for the pure water case, whereas for pure methanol and the binary solution structures are statistically similar.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Study of the water dynamics near hydrophilic, nanostructured CuO surfaces by quasielastic and inelastic neutron scattering

We have used quasielastic and inelastic neutron scattering to investigate the structure, dynamics, and phase transitions of water interacting with superhydrophilic CuO surfaces that not only possess a strong affinity for water but also a “grass-like” topography that is rough on both micro- and nanoscales. Here, we report quasielastic neutron scattering (QENS) measurements on two samples differing in water content at five temperatures below 280 K. The QENS spectra show water undergoing two different types of diffusive motion near the CuO surfaces: a “slow” translational diffusion occurring on a nanosecond time scale and a faster rotational motion. Further from the surfaces, there is “fast” translational diffusion comparable in rate to that of bulk supercooled water and the rotational motion occurring in the interfacial water. Analysis of the QENS spectra supports wetting of water to the CuO blades as seen in electron microscopy images. In addition, we observe an anomalous temperature dependence of the QENS spectra on cooling from 270 to 230 K with features consistent with a liquid–liquid phase transition. We suggest that the solvent-like properties of the coexisting bulk-like water in our CuO samples are a significant factor in determining the temperature dependence of the interfacial water’s dynamics. Our results are compared with those obtained from two well-studied substrate classes: (1) silicas that contain ordered cylindrical nanopores but have weaker hydrophilicity and (2) nanoparticles of other transition-metal oxides, such as TiO 2 , which share the strong hydrophilicity of our samples but lack their porosity.

36 MATERIALS SCIENCE↗
NASA NTRS2005

Interannual Variability in Surface LW Fluxes Over the Tropical Oceans As Seen in ISCCP-FD and GEWEX SRB Data Sets

One notable aspect of Earth s climate is that although the planet appears to be very close to radiative balance at top-of-atmosphere (TOA), the atmosphere itself and underlying surface are not. Profound exchanges of energy between the atmosphere and oceans, land and cryosphere occur over a range of time scales. Recent evidence from broadband satellite measurements suggests that even these TOA fluxes contain some detectable variations. Our ability to measure and reconstruct radiative fluxes at the surface and at the top of atmosphere is improving rapidly. In this work we will evaluate two recently released estimates of radiative fluxes, focusing primarily on surface estimates. The International Satellite Cloud Climatology Project FD radiative flux profiles are available from mid-1 983 to near present and have been constructed by driving the radiative transfer physics from the Goddard Institute for Space Studies (GISS) global model with ISCCP clouds and TOVS (TIROS Operational Vertical Sounder)thermodynamic profiles. Fu!l and clear sky SW and LW fluxes are produced. A similar product from the NASA/GEWEX Surface Radiation Budget Project using different radiative flux codes and thermodynamics from the NAS/Goddard Earth Observing System (GEOS-1) assimilation model makes a similar calculation of surface fluxes. However this data set currently extends only through 1995. Significant differences in both interannual variability as well as trends are found between among these data sets. For radiative fluxes these differences are traced to TOVS thermodynamic soundings used to drive the ISCCP-FD calculations. Errors in near surface temperature and precipitable water cascade into ISCCP upward and downward IR flux components, demonstrably affecting interannual variability. Revised estimates of clear-sky fluxes over ocean are made using statistical algorithms and water vapor from the (SSM/I) Special Sensor Microwave Imager. These calculations show strong near-surface water vapor feedback over the tropical oceans in association with SST changes. However, it is also shown that ISCCP longwave cloud forcing, common to both the ISCCP-FD and GEWEX SRB retrievals, is the main driver of a long-term decrease in net LW flux to the surface during the near-20 year period covered by these revised estimates.

Robertson, F. R.↗
NASA NTRS1986

Optimum retrieval of precipitable water fields from VAS and surface data

The use of VAS radiances and conventional surface data to determine the optimum resolution and accuracy of low-level precipitable water fields retrieved from geosynchronous satellite observations is examined. VAS retrievals of precipitated water (PW) are compared with various channel selections in the regression algorithm and with the split window algorithm. The split window algorithm and the linear regression algorithm are described. Consideration is given to the sounding-field-of-view (SFOV) resolution; the data reveal that the optimum resolution for the split window algorithm is at 15-60 km resolution, and 30-60 km SFOV resolution is optimal for the regression method. Statistics and images from PW retrieval experiments conducted on July 13, 1981 are presented and utilized to determine optimum channel selection. A fast contouring method for VAS sounding images is proposed.

Chesters, Dennis↗
NASA NTRS1993

Multi-scale roughness spectra of Mount St. Helens debris flows

A roughness spectrum allows surface structure to be interpreted as a sum of sinusoidal components with differing wavelengths. Knowledge of the roughness spectrum gives insight into the mechanisms responsible for electromagnetic scattering at a given wavelength. Measured spectra from 10-year-old primary debris flow surfaces at Mount St. Helens conform to a power-law spectral model, suggesting that these surfaces are scaling over the measured range of spatial frequencies. Measured spectra from water-deposited surfaces deviate from this model.

Austin, Richard T.↗
DOE OSTI2025

The Water Table Model (WTM) (v2.0.1): coupled groundwater and dynamic lake modelling

Abstract. Ice-free land comprises 26 % of the Earth's surface and holds liquid water that delineates ecosystems, affects global geochemical cycling, and modulates sea levels. However, we currently lack the capacity to simulate and predict these terrestrial water changes across the full range of relevant spatial (watershed to global) and temporal (monthly to millennial) scales. To address this knowledge gap, we present the Water Table Model (WTM), which integrates coupled components to compute dynamic lake and groundwater levels. The groundwater component solves the 2D horizontal groundwater flow equation using non-linear equation solvers from the C++ PETSc (Portable, Extensible Toolkit for Scientific Computation) library. The dynamic lake component makes use of the Fill–Spill–Merge (FSM) algorithm to move surface water into lakes, where it may evaporate or affect groundwater flow. In a proof-of-concept application, we demonstrate the continental-scale capabilities of the WTM by simulating the steady-state climate-driven water table for the present day and the Last Glacial Maximum (LGM; 21 000 calendar years before present) across the North American continent. During the LGM, North America stored an additional 14.98 cm of sea-level equivalent (SLE) in lakes and groundwater compared to the climate-driven present-day scenario. We compare the present-day result to other simulations and real-world data. Open-source code for the WTM is available on GitHub and Zenodo.

Callaghan, Kerry L. (ORCID:0000000226740838)↗
NASA NTRS2017

Mathematical Modeling of Electrodynamics Near the Surface of Earth and Planetary Water Worlds

An interesting feature of planetary bodies with hydrospheres is the presence of an electrically conducting shell near the global surface. This conducting shell may typically lie between relatively insulating rock, ice, or atmosphere, creating a strong constraint on the flow of large-scale electric currents. All or parts of the shell may be in fluid motion relative to main components of the rotating planetary magnetic field (as well as the magnetic fields due to external bodies), creating motionally-induced electric currents that would not otherwise be present. As such, one may expect distinguishing features in the types of electrodynamic processes that occur, as well as an opportunity for imposing specialized mathematical methods that efficiently address this class of application. The purpose of this paper is to present and discuss such specialized methods. Specifically, thin-shell approximations for both the electrodynamics and fluid dynamics are combined to derive simplified mathematical formulations describing the behavior of these electric currents as well as their associated electric and magnetic fields. These simplified formulae allow analytical solutions featuring distinct aspects of the thin-shell electrodynamics in idealized cases. A highly efficient numerical method is also presented that is useful for calculations under inhomogeneous parameter distributions. Finally, the advantages as well as limitations in using this mathematical approach are evaluated. This evaluation is presented primarily for the generic case of bodies with water worlds or other thin spherical conducting shells. More specific discussion is given for the case of Earth, but also Europa and other satellites with suspected oceans.

Tyler, Robert H.↗
NASA NTRS1987

Acid dew and the role of chemistry in the dry deposition of reactive gases to wetted surfaces

A formalism is developed to describe the dry deposition of soluble reactive gases to wetted surfaces in terms of the relevant meteorological conditions, the surface roughness, the total amount of liquid water present on the surface, the rate of accumulation of this water, and the species' solubility and reactivity in the surface water. This formulation is then incorporated into a model designed to simulate the generation of acidic dew from the deposition of HNO3, SO2, S(IV) oxidants, H2O2, and O3. Similar to the observations of dew in the continental U.S., the model generates a dewdrop pH of about 4 by the end of the night; the pH can rapidly fall to toxic levels due to rapid evaporation after sunrise. Relatively low deposition velocities are predicted for the SO2 and O3 because of their lower solubilities and hence larger surface resistances than those of the other oxidants. Because the chemical lifetime of the SO2 in the dew is influenced by the atmospheric levels of H2O2, O3, and SO2, the SO2 deposition velocity is a strong function of these species' atmospheric abundances.

Chameides, William L.↗
DOE OSTI2025

Theory of the photomolecular effect

It is well-known that water in liquid and vapor phases exhibits weak visible-light absorption. Recent experiments, however, show that at the liquid-air interface, absorption drastically increases, accelerating evaporation beyond thermal limits by 2–5 times. Strikingly, evaporation peaks at green wavelengths, despite no corresponding absorptance peak. The underlying mechanism of this observation, termed the photomolecular effect, remains puzzling, particularly as water molecules do not exhibit resonance peaks in the visible spectrum. Here, we present a theoretical model explaining the effect. We show that surface-bound water clusters undergo non-resonant photon-driven evaporation, with green light being particularly effective. Crucially, we do not expect green light to couple more strongly than other wavelengths to the molecules at the surface, rather the energy of green light is more effectively used to vaporize water. Our model accounts for why the evaporation peak does not align with absorptance and provides a quantum mechanical explanation of how a single photon can vaporize an entire molecular cluster. This model challenges conventional views on water-light interactions, revealing a fundamentally non-thermal evaporation mechanism. Furthermore, our findings have implications for water purification, energy-efficient drying, and climate modeling, opening new pathways for optimizing evaporation-based technologies.

Interfacial evaporation↗
NASA NTRSDate not supplied

Propulsive Trajectory Optimization to Minimize Surface Contamination

Descent retroburns using hydrazine thrusters will generate contaminants in their exhaust that can alter underlying samples, such as water-rich surfaces coinciding with possible life signatures or other science measurements of interest. We present an optimization technique that aims to autonomously minimize contamination during surface approach and landing for propulsive vehicles. In addition to short-range hoppers, the optimization technique is also fully applicable to traditional orbit-to-surface landers. This study addresses scenarios where surface alterations from propulsion events are counterproductive or hazardous to the mission objectives. This is of interest for landers (whether human or robotic), that may rely on pristine soils collected in the immediate vicinity of landing sites to accomplish science investigations, mining, or In Situ Resource Utilization (ISRU) surface operations. Such missions are averse to various surface-plume interactions such as thermal scoring, physical agitation, and contamination. The capability can be applied with minimal impact to the baseline concept.

Plume↗
DOE OSTI2025

pH-dependent reactivity of water at MgO(100) and MgO(111) surfaces

Facet-dependent surface charging of metal oxides in water dominates the ion transport behavior across the interface, in turn impacting many natural and industrial processes such as adsorption, the formation and stabilization of nanoparticle suspensions, corrosion, and heterogeneous catalysis. Here we investigated the pH-dependent surface chemistry of two low-index MgO single crystal surfaces, namely MgO(100) and MgO(111), using vibrational sum frequency generation (vSFG) spectroscopy. This allowed us to evaluate facet-dependent pH effects on the hydration and hydroxylation at the solid/aqueous interface and point-of-zero charge (PZC) values. The MgO system is complicated by its thermodynamic instability with respect to Mg(OH) 2 in water at ambient conditions. Here, for both hydroxylated MgO(100) and MgO(111) surfaces, the PZC is found to be around pH ∼ 12, which compares well with reported values for MgO single crystal and nanoparticle surfaces. However, structure specific differences in the molecular water hydrogen bonding network near the surface are evident at mildly acidic pH. To our knowledge, this is the first account of the PZC values for the MgO(111) single-crystal surface, an electrostatically unstable MgO termination that is prone to reconstruction.

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

Effect of Stoichiometry on the Structure and Polarization of BaTiO 3

Barium titanate (BaTiO 3 ) is a material of interest for photonic device applications due to its strong optical non-linearity. However, BaTiO 3 -based devices have not found widespread adoption, in part due to the challenges associated with synthesizing high quality thin-films. Here, high-resolution scanning transmission electron microscope (STEM) imaging is used to investigate the atomic structure of both on- and off-stoichiometric BaTiO 3 synthesized by molecular beam epitaxy (MBE). Here, this investigation reveals an asymmetry in the way the BaTiO 3 atomic lattice accommodates off-stoichiometry growth and unveils features beyond what is expected from diffraction or surface characterization techniques. Excess titanium incorporates into the BaTiO 3 lattice to form pervasive defects despite titanium-rich films having a low surface roughness and high-quality appearance in diffraction. Excess barium forms a rough, water-soluble surface layer but does not significantly impact the quality of the BaTiO 3 lattice. STEM is used to map titanium atom displacement in real-space. The average displacement distance is 30–60 pm in the strained thin-films, higher than the <20 pm displacement in bulk BaTiO 3 . Additionally, the titanium atom displacement direction deviates from the c-axis of the unit cell, which may have implications for the material's electro-optic tensor and thus for electro-optic device design.

Cavanagh, Ashley E. [Harvard Univ., Cambridge, MA ↗
NASA NTRS1991

Aspects of the evolution of the marine boundary layer during cold-air outbreaks off the southeast coast of the United States

Remote sensing and in situ measurements that were obtained in February 1986 were combined with the results from a boundary-layer model to study aspects of the evolution of the maine boundary layer (MBL) during two cold-air outbreaks (CAO) off the southeast coast of the United States. Maximum total heat fluxes occurred over the Gulf Stream northeast of Cape Hatteras where very cold, dry air encountered the Gulf Stream and where the wind speeds were very large. Maximum 6-h values for the total heat flux were as high as 2015 W/m. The magnitude of the area-average heat flux in the MBL was influenced not only by the surface air and dewpoint temperatures and the surface wind speeds off the coast but also by the area covered by Gulf Stream water (sea surface temperature greater than 22 C). The heat flux distribution off the coast rapidly produced large horizontal temperature and humidity differences over distances on the order of 100 km.

Vukovich, Fred M.↗
NASA NTRS2006

Cleaning Surface Particle Contamination with Ultrapure Water (UPW) Megasonic Flow on Genesis Array Collectors

The hard landing experienced by the Genesis sample return capsule breached the science canister containing the solar wind collectors. This impact into the damp lakebed contaminated collector surfaces with pulverized collector and spacecraft materials and Utah sediment and brine residue. The gold foil, polished aluminum, and bulk metallic glass remained intact, but the solar wind bulk and regime-specific array collectors were jarred loose from their frames and fractured into greater than 10,000 specimens. After a year of investigation and cleaning experimentation, the Genesis Science Team determined that array collectors had 4 classes of contaminants: particles, molecular film, submicron inorganic particulate ("aerosol"), and pre-launch surface contamination. We discuss here use of megasonically energized ultrapure water (UPW) for removing particulate debris from array collector fragments.

Allton, J. H.↗
DOE OSTI2024

Model data for Flood Frequency Analysis using Stochastic Storm Transposition and an Integrated Surface-Subsurface Hydrological Model

This archived provides scripts and input files used for the implementation of a novel approach to conduct process-based Flood Frequency Analysis using a Stochastic Storm Transposition (SST) and an Integrated Surface-Subsurface Hydrological Model (ISSHM). As a proof-of-concept, this study uses the ISSHM, Advanced Terrestrial Simulator (Amanzi-ATS) model, and the SST model, RainyDay, to conduct flood frequency analysis by simulating the flood response to 5,000 annual synthetic storm events in a ~2000 km2 Southeast Texas watershed.The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include TXT, CSV, DAT, SBATCH, SHP, TIF, NetCDF, and HDF5 files, which can be read through Python scripts. The input files for the ATS model and RainyDay model have .XML and .SST extensions, respectively, and can be edited in any commonly used text editors.This archive contains:* Scripts and data files essential for generating the ATS model input. It uses the Watershed Workflow package to produce both mesh and ATS input files. * Jupyter notebooks designated for the ATS model evaluation, covering both long-term simulations and 40 rainfall-runoff events.* Input files required to simulate SST storm events using RainyDay.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

Investigation of the environmental change pattern of Japan

The author has identified the following significant results. ERTS-1 imagery clearly identifies the relationships between the status of erosion, effluent patterns affected by the coastal current, and the cultural construction activities. Simple photographic techniques can be used for detecting water mass distribution separately from cloud cover and also noise caused by reflected sunlight from wave surfaces. Polluted water does not diffuse continuously into the oceanic water, but forms masses in the water in the Kuroshio area. The polluted or turbid water in the area just north of the Tomogashima Channel, the south outlet of the Osaka Bay, shows that the northward tidal current runs in a clockwise eddy at the tidal period when the imagery was taken. Such an eddy-like pattern of tidal current had never been revealed by conventional oceanographic data. A front between an oceanic water mass and a polluted water mass runs in a NW-SE direction in the central part of the Osaka Bay. The patterns of turbid water discharged from the Kii River and Yoshino River show a northward tidal current in the North Kii Straits. The pattern of lighter turbid or polluted water located in the northwest region of the North Kii straits suggests the existence of a clockwise eddy in the straits.

Maruyasu, T.↗