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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Pressure-induced structural and dielectric changes in liquid water at room temperature

Understanding the pressure-dependent dielectric properties of water is crucial for a wide range of scientific and practical applications. In this study, we employ a deep neural network trained on density functional theory data to investigate the dielectric properties of liquid water at room temperature across a pressure range of 0.1–1000 MPa. We observe a nonlinear increase in the static dielectric constant ɛ 0 with increasing pressure, a trend that is qualitatively consistent with experimental observations. This increase in ɛ 0 is primarily attributed to the increase in water density under compression, which enhances collective dipole fluctuations within the hydrogen-bonding network as well as the dielectric response. Despite the increase in ɛ 0 , our results reveal a decrease in the Kirkwood correlation factor G K with increasing pressure. Furthermore, this decrease in G K is attributed to pressure-induced structural distortions in the hydrogen-bonding network, which weaken dipolar correlations by disrupting the ideal tetrahedral arrangement of water molecules.

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

Data from: "Lab and Field Warming Similarly Advance Germination Date and Limit Germination Rate for High and Low Elevation Provenances of Two Widespread Subalpine Conifers"

This archive contains data used to draw conclusions in “Lab and Field Warming Similarly Advance Germination Date and Limit Germination Rate for High and Low Elevation Provenances of Two Widespread Subalpine Conifers”, by Kueppers et al. 2017. Cone collection and field experiments were conducted on Niwot Ridge, Colorado, with the latter completed within the Alpine Treeline Warming Experiment (ATWE). Laboratory germination experiments were conducted at the University of California Merced. Geospatial files are also provided for additional geographical context.There are four data file formats in this package: comma-separated values (.csv), Microsoft Excel (.xlsx), keyhole markup language (.kml), and ESRI shapefile (.shp). The latter two are geospatial file formats. .csv files can be opened using any simple text editor program such as TextEdit (Mac) and Notepad (Windows), and .xlsx files can be opened using Microsoft Excel or Google Sheets. The .kml file contains coordinate data, and is compatible with Google Earth and Google Maps. ESRI shapefiles (.shp) are compatible with any geospatial software able to read the file type, such as QGIS and ESRI’s ArcGIS Suite. This data user’s guide is available in as a .pdf, and can be opened using software such as Adobe Acrobat Reader.-----------------------------------------------------------------------------------------------------------------------------------Accurately predicting upslope shifts in subalpine tree ranges with warming requires understanding how future forest populations will be affected by climate change, as these are the seed sources for new tree line and alpine populations. Early life history stages are particularly sensitive to climate and are also influenced by genetic variation among populations. We tested the climate sensitivity of germination and initial development for two widely distributed subalpine conifers, using controlled-environment growth chambers with one temperature regime from subalpine forest in the Colorado Rocky Mountains and one 5 °C warmer, and two soil moisture levels. We tracked germination rate and timing, rate of seedling development, and seedling morphology for two seed provenances separated by ~300 m elevation. Warming advanced germination timing and initial seedling development by a total of ~2 weeks, advances comparable to mean differences between provenances. Advances were similar for both provenances and species; however, warming reduced the overall germination rate, as did low soil moisture, only for Picea engelmannii. A three-year field warming and watering experiment planted with the same species and provenances yielded responses qualitatively consistent with the lab trials. Together these experiments indicate that in a warmer, drier climate, P. engelmannii germination, and thus regeneration, could decline, which could lead to declining subalpine forest populations, while Pinus flexilis forest populations could remain robust as a seed source for upslope range shifts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Water Mediated Proton Hopping Furazan Mechanism that Accelerates the Decomposition of TATB

The dominant initial decomposition mechanism of TATB is believed to be a dehydration reaction that forms mono- and di-furazans, although other mechanisms have been reported. In this work, a mono-furazan mechanism is discovered that involves a proton hopping process between TATB and water. A first principles nudge elastic band calculation was performed that shows the mechanism has an energy barrier of 44.1 kcal/mol, 25.4 kcal/mol lower than the monofurazan mechanism without water. The reaction rate of the proton hopping mechanism was found to be 10 7 to 10 12 times (at 300-600 K) higher than the mechanism without water. Metadynamics simulations were also performed that indicate the mechanism is qualitatively more probable at lower temperatures (near 300 K) and higher pressures (near 100 bar), although a quantitative confirmation is needed. Future work should focus on modeling the proton hopping mechanism in the condensed state at elevated temperatures (near 600 K).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Spectral reflectance of selected aqueous solutions for water quality applications

The relative specular reflectances of individual aqueous solutions having a particular chemical salt content were measured in the 2 to 20 micrometers region of the infrared component or radiant flux. Distilled water was the reflectance standard. The angle of incidence was 70.03 deg plus or minus 0.23 deg. Absolute reflectances of the solutions for the same polarization and angle of incidence were computed by use of the measured relative reflectances, one of the Fresnel equations, and the optical constants of distilled water. Phase shift and phase difference spectra were obtained by respectively applying a Kramers-Kronig dispersion analysis to the absolute and relative reflectance spectra. The optical constants of the solutions were determined by algorithms commonly associated with the Kramers-Kronig analysis. Spectral signatures that qualitatively and quantitatively characterize the solute and that show structure of the infrared bands of water were noted in the phase difference spectra. The relative and absolute reflectances, the phase shift and phase difference spectra and the optical constants are presented in graphical form. Application of these results to remote sensing of the chemical quality of natural waters is discussed briefly.

Querr, M. R.↗
NASA NTRS1973

Flow in a porous nozzle with massive wall injection

An analytical and experimental investigation has been conducted to determine the effect of massive wall injection on the flow characteristics in a nozzle. The experiments were performed on a water table with a porous-nozzle test section. This had 45 deg and 15 deg half angles of convergence and divergence, respectively, throat radius of 2.5 inches, and throat width of 3 inches. The hydraulic analogy was employed to qualitatively extend the results to a compressible gas flow through the nozzle. An analysis of the water table flow was made using a one-dimensional flow assumption in the continuity and momentum equations. An analysis of a compressible flow in a nozzle was made in a manner analogous to that for the water flow. It is shown that the effect of blowing is to move the sonic position downstream of the geometric throat. Similar results were determined for the incompressible water table flow. Limited photographic results are presented for an injection of air, CO2, and Freon-12 into a main-stream air flow in a convergent-divergent nozzle. Schlieren photographs were used to visualize the flow.

Kinney, R. B.↗
NASA NTRS1974

Flow in a discrete slotted nozzle with massive injection

An experimental investigation has been conducted to determine the effect of massive wall injection on the flow characteristics in a slotted nozzle. Some of the experiments were performed on a water table with a slotted-nozzle test section. This has 45 deg and 15 deg half angles of convergence and divergence, respectively, throat radius of 2.5 inches, and throat width of 3 inches. The hydraulic analogy was employed to qualitatively extend the results to a compressible gas flow through the nozzle. Experimental results from the water table include contours of constant Froude and Mach number with and without injection. Photographic results are also presented for the injection through slots of CO2 and Freon-12 into a main-stream air flow in a convergent-divergent nozzle in a wind tunnel. Schlieren photographs were used to visualize the flow, and qualititative agreement between the results from the gas tunnel and water table is good.

Perkins, H. C.↗
DOE OSTI2020

Sustaining On-going Risk Communication at the Riverton, Wyoming, Processing Site - 20310

An environmental risk assessment report has been completed to provide an updated assessment regarding current site conditions for the Riverton, Wyoming, Processing site. Argonne National Laboratory conducted the assessment in collaboration with the U.S Department of Energy (DOE) Office of Legacy Management (LM) and the Northern Arapaho Natural Resources Office (NANRO). The data quality objectives process conducted confirmed that data from plants growing on the Riverton site would be useful and would address an outstanding concern. Data available from site soil, groundwater, and surface water were also used in the assessment in conjunction with the new plant data. A plant survey was then conducted in 2018 to identify the plants at the Riverton site with known traditional Native American cultural uses for sampling and analysis. Laboratory analysis was conducted on the plant samples for the contaminants of concern. Samples were collected from plants growing on the groundwater plume area of the site, and the same was done for eight other areas not affected by the groundwater plume but still within the institutional control boundary. These eight areas served as reference areas for this study. This human health and ecological assessment update provide the quantitative risk information that was qualitatively addressed in a 1995 Risk Assessment Report on plants, livestock, and surface water exposures at the Riverton site [1]. The conditions at the Riverton site are protective of human health and the environment given the results of the update, in combination with past completed remedial action and ongoing monitoring activities and IC implementation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Spatial Study 2021: Sensor-Based Time Series of Surface Water Temperature, Specific Conductance, Total Dissolved Solids, pH, and Dissolved Oxygen from across Multiple Watersheds in the Yakima River Basin, Washington, USA (v3)

This dataset supports a broader study examining the drivers of spatial variability in sediment respiration rates in the Yakima River Basin. The dataset provides two-hour time series hydrological and water chemistry sensor data, manual chamber open channel respiration data, handheld sensor water chemistry data, river substrate grain size photos, general environmental context photos, and field metadata (including qualitative information on instream and river corridor characteristics) collected during the same two-week period at 47 sites within multiple rivers throughout the Yakima River Basin in Washington, USA. Grain size photos can be used to improve estimates of channel substrate D50 data. Related sample-based water chemistry data are published separately at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1898914.This dataset is comprised of four main folders, one containing three sensor-specific subfolders and the others containing photographs. The SFA_SpatialStudy_2021_SensorData main data folder includes file-level metadata (FLMD), data dictionary (dd), installation methods, field metadata, Ultrameter water chemistry data, field data collection protocols, international generic sample number (IGSN) mapping file, and a readme file. The “Sensor_Manual_Specifications” subfolder contains pdf files from the manufacturer of each sensor with details on the sensor specifications. Each sensor subfolder (BarotrollAtm, MantaRiver, and MinidotManualChamber) contains a sensor data subfolder for timeseries data and a subfolder for plots and summary statistics. The BarotrollAtm Data subfolder contains In Situ Rugged BaroTROLL pressure and temperature data. The MantaRiver Data subfolder contains Eureka Manta+ 35B multisonde temperature, specific conductance, and pH data. The MinidotManualChamber Data subfolder contains PME MiniDOT Logger dissolved oxygen (mg/L and percent saturation) and temperature data. The folder SFA_SpatialStudy_2021_EnvironmentalContextPhotos contains environmental context photographs and videos. The folders SFA_SpatialStudy_2021_SedimentQuadratPhotos_Part1 and SFA_SpatialStudy_2021_SedimentQuadratPhotos_Part2 contain sediment quadrat photographs. All files are .csv, .pdf, .R, .jpg, .jpeg, .mp4, or .mov. This data package was originally published September 2022. It was updated January 2023 (modified files) and June 2024 (new and modified files). See the change history in data package readme for more details.We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

Aerosol backscatter variability at 10.6 microns over Colorado high plains during JAWS experiment

This paper describes the aerosol backscatter profile measurements obtained by an airborne CW focused CO2 Doppler lidar (the Laser True Airspeed System) during the 1982 Joint Airport Weather Studies (JAWS) field experiment. The backscatter sounding flights were made in the lee of the front range of the Colorado Rocky Mountains, at about 1650 m above mean sea level. The qualitative relationships between the backscatter and the vertical distribution of temperature and water vapor are described.

Rothermel, Jeffry↗
NASA NTRS2012

Effect of Sweep on Cavity Flow Fields at Subsonic and Transonic Speeds

An experimental investigation was conducted in the NASA Langley 7 x 10-Foot High Speed Tunnel (HST) to study the effect of leading- and trailing-edge sweep on cavity flow fields for a range of cavity length-to-height (l/h) ratios. The free-stream Mach number was varied from 0.2 to 0.8. The cavity had a depth of 0.5 inches, a width of 2.5 inches, and a maximum length of 12.0 inches. The leading- and trailing-edge sweep was adjusted using block inserts to achieve leading edge sweep angles of 65 deg, 55 deg, 45 deg, 35 deg, and 0 deg. The fore and aft cavity walls were always parallel. The aft wall of the cavity was remotely positioned to achieve a range of length-to-depth ratios. Fluctuating- and static-pressure data were obtained on the floor of the cavity. The fluctuating pressure data were used to determine whether or not resonance occurred in the cavity rather than to provide a characterization of the fluctuating pressure field. Qualitative surface flow visualization was obtained using a technique in which colored water was introduced into the model through static-pressure orifices. A complete tabulation of the mean static-pressure data for the swept leading edge cavities is included.

Tracy, Maureen B.↗
NASA NTRS1991

Space Station Freedom Water Recovery test total organic carbon accountability

Marshall Space Flight Center's (MSFC) Water Recovery Test (WRT) addresses the concept of integrated hygiene and potable reuse water recovery systems baselined for Space Station Freedom (SSF). To assess the adequacy of water recovery system designs and the conformance of reclaimed water quality to established specifications, MSFC has initiated an extensive water characterization program. MSFC's goal is to quantitatively account for a large percentage of organic compounds present in waste and reclaimed hygiene and potable waters from the WRT and in humidity condensate from Spacelab missions. The program is coordinated into Phase A and B. Phase A's focus is qualitative and semi-quantitative. Precise quantitative analyses are not emphasized. Phase B's focus centers on a near complete quantitative characterization of all water types. Technical approaches along with Phase A and partial Phase B investigations on the compositional analysis of Total Organic Carbon (TOC) Accountability are presented.

Davidson, Michael W.↗
DOE OSTI2026

Actinium–DOTA coordination in water from hybrid ML/MM: Structure, free energies, and water-exchange pathways

Quantitative simulation of trivalent ƒ-block chelates in water remains challenging because bonded and non-bonded force-field models make different approximations for coordination structure, exchange dynamics, and ion–ligand interactions in highly charged systems. Here, we develop a hybrid machine-learning/molecular-mechanics (ML/MM) framework for Ac 3+ –DOTA in explicit solvent by training an E(3)-equivariant neural network potential (MACELES) on mechanically embedded QM/MM data for Ac aquo and Ac–DOTA species and coupling it to NAMD 2.14 with particle-mesh Ewald electrostatics. Nanosecond ML/MM trajectories remain numerically stable and preserve chelate integrity, yielding a compact DOTA inner shell with an inner-sphere water coordination number of CN Ac,O w ≈ 1.7 arising from a dynamic equilibrium between one- and two-water states (37.5% and 59.9% of frames; three waters 2.5%). A 5 ns potential of mean force shows two low-lying basins at CN Ac,O w ≈ 1 and CN Ac,O w ≈ 2. DFT end-state free energies are consistent with the ML/MM profile, and DFT minimum-energy paths provide a qualitative electronic-structure reference for the observed basin connectivity. State-resolved kinetics reveal picosecond water-exchange pathways that couple hydration changes to transient DOTA arm fluctuations, and training-set comparisons show that temperature-matched Ac–DOTA data optimize energy/force accuracy while more diverse solvated data improve charge prediction. Overall, the present hybrid ML/MM model provides a practical description of Ac 3+ –DOTA hydration thermodynamics and short-time exchange behavior in explicit water at MD-like cost.

Actinium↗
NASA NTRS1992

Laboratory studies on cometary crust formation: The importance of sintering

It is demonstrated by experiments and theoretical considerations that sintering processes, so far used to describe the densification of metal and ceramic powders, are relevant for icy materials and therefore probably also for comets. A theoretical model is presented which describes the evolution of so called sinter necks, the contact zone between ice particles. With this model the strength increase of a porous, loosley packed icy body is calculated in which the sinter necks grow by evaporation and condensation of water vapor at a constant temperature. Experiments with ice powders validate the model qualitatively. An increase in strength up to a factor of four is observed during isothermal sintering. In order to check the relevance of the experimental results and the basic theoretical ideas with respect to real comets, more exact theories and improved experiments taking into account additional mass transport mechanisms are needed.

Ratke, L.↗
NASA NTRS1998

Effects of 1997-1998 El Nino on Tropospheric Ozone and Water Vapor

This paper analyzes the impact of the 1997-1998 El Nino on tropospheric column ozone and tropospheric water vapor derived respectively from the Total Ozone Mapping Spectrometer (TOMS) on Earth Probe and the Microwave Limb Scanning instrument on the Upper Atmosphere Research Satellite. The 1997-1998 El Nino, characterized by an anomalous increase in sea-surface temperature (SST) across the eastern and central tropical Pacific Ocean, is one of the strongest El Nino Southern Oscillation (ENSO) events of the century, comparable in magnitude to the 1982-1983 episode. The major impact of the SST change has been the shift in the convection pattern from the western to the eastern Pacific affecting the response of rain-producing cumulonimbus. As a result, there has been a significant increase in rainfall over the eastern Pacific and a decrease over the western Pacific and Indonesia. The dryness in the Indonesian region has contributed to large-scale burning by uncontrolled wildfires in the tropical rainforests of Sumatra and Borneo. Our study shows that tropospheric column ozone decreased by 4-8 Dobson units (DU) in the eastern Pacific and increased by about 10-20 DU in the western Pacific largely as a result of the eastward shift of the tropical convective activity as inferred from National Oceanic and Atmospheric Administration (NOAA) outgoing longwave radiation (OLR) data. The effect of this shift is also evident in the upper tropospheric water vapor mixing ratio which varies inversely as ozone (O3). These conclusions are qualitatively consistent with the changes in atmospheric circulation derived from zonal and vertical wind data obtained from the Goddard Earth Observing System data assimilation analyses. The changes in tropospheric column O3 during the course of the 1997-1998 El Nino appear to be caused by a combination of large-scale circulation processes associated with the shift in the tropical convection pattern and surface/boundary layer processes associated with forest fires in the Indonesian region.

Chandra, S.↗
NASA NTRS1994

Patterns in the sky: Natural visualization of aircraft flow fields

The objective of the current publication is to present the collection of flight photographs to illustrate the types of flow patterns that were visualized and to present qualitative correlations with computational and wind tunnel results. Initially in section 2, the condensation process is discussed, including a review of relative humidity, vapor pressure, and factors which determine the presence of visible condensate. Next, outputs from computer code calculations are postprocessed by using water-vapor relationships to determine if computed values of relative humidity in the local flow field correlate with the qualitative features of the in-flight condensation patterns. The photographs are then presented in section 3 by flow type and subsequently in section 4 by aircraft type to demonstrate the variety of condensed flow fields that was visualized for a wide range of aircraft and flight maneuvers.

Campbell, James F.↗
NASA NTRS2018

Active and Passive Radiative Transfer Modeling of the Olympic Mountains Experiment

Sensor forward models are an important tool for interpreting remote sensing observations of geophysical phenomena. By implementing a three-dimensional framework, we can simulate and analyze observations from various sensors on disparate platforms. To demonstrate our model framework, we simulate observations from the Olympic Mountains Experiment (OLYMPEX). The use of cloud model simulations allows us to understand sensor response to cloud ice, falling snow, and other processes and features, and the application of model tools to observations allows us to quantify precipitation.MIIST 3D Forward ModelThe Multi-Instrument Inverse Solver Testbed(MIIST) uses the Atmospheric Radiative TransferSimulator (ARTS) for solving the vector radiativetransfer (RT) equation in up to three spatialdimensions within a spherical geometry• Gas absorptiono Line-by-line calculationso Fast transmittance tables• Hydrometeor scattering solverso Discrete ordinateo RT4 (Evans, 1D)o Radar Single Scattering (1D or 3D)o Monte Carlo (3D)Scattering TablesHigh-fidelity hydrometeor scatteringtables are necessary for accurateand consistent forward modeling ofmulti-frequency observations• Requires full Stokes matriceso And absorption vector• Randomly oriented particleso Discrete Dipole Approximationo Characteristic Basis Function Method(coming soon)• Horizontally-oriented plateso Invariant Imbedding T-matrix MethodCloud Resolving SimulationsCloud resolving simulations (e.g.,NU-WRF) supply output consistentwith ARTS needs• Atmospheric Informationo Temperatureo Pressure / heighto Water vapor• Hydrometeor Profileso ARTS architecture ripe for explicit binmicrophysics• Examples use Morrison 2M schemeThe Olympic Mountains Experiment (OLYMPEX)Validation for GPM of mid-latitudefrontal systems approaching nearcoastalmountains from the ocean• Large collection of ground-based andairborne sensorso Radarso Radiometerso In situ• Contemporaneous with RADEXo Two sets of radar at same frequenciesRadiometer Simulation (3 km NUWRF, 20151203, 15:00)2018.12.14 7Simulate 166 GHz polarizationdifference• Corresponds to the presence of aligned icecrystals• Look at trends for both simulations andobservations• Simulations can tolerate lower resolutiono Larger domainSimulations from Observations: OLYMPEXSimulate sensor response usinggeophysical retrievals as input• Single frequency radar retrievals• Multiple scattering enhancementapparent at W band• Spatially dependent phenomenonModeling Application: 1D Retrievals03 December 2015• DC-8 and ER-2 flightso Focus on APR-3 (DC-8)• Citationo Stacked microphysics legso Qualitative comparisonso Range of frozen habitso Presence of supercooledliquid cloudsResults• Retrievals match probeso Good qualitative match• Bands of increasedreflectivity correspond tolarge Dm and highaggregate fraction• Significant amounts ofsupercooled liquid water

Adams, Ian S.↗
NASA NTRS1980

Spatial distribution of volatile compounds in graphite composites

The distribution of water and other volatile compounds such as acetone and phenol was measured as a function of depth in four graphite resin matrix composites. Precision abrasion mass spectrometry was used to qualitatively and quantitatively characterize the indigenous volatile compounds in the as received condition and after drying in an environmentally controlled oven. The total amount of water in the composites varied from 0.12 wt% to 1.1 wt% and the times required to dry the samples ranged from less than 96 h to much greater than 555 h.

Grayson, M. A.↗
NASA NTRS1996

Quality and Control of Water Vapor Winds

Water vapor imagery from the geostationary satellites such as GOES, Meteosat, and GMS provides synoptic views of dynamical events on a continual basis. Because the imagery represents a non-linear combination of mid- and upper-tropospheric thermodynamic parameters (three-dimensional variations in temperature and humidity), video loops of these image products provide enlightening views of regional flow fields, the movement of tropical and extratropical storm systems, the transfer of moisture between hemispheres and from the tropics to the mid- latitudes, and the dominance of high pressure systems over particular regions of the Earth. Despite the obvious larger scale features, the water vapor imagery contains significant image variability down to the single 8 km GOES pixel. These features can be quantitatively identified and tracked from one time to the next using various image processing techniques. Merrill et al. (1991), Hayden and Schmidt (1992), and Laurent (1993) have documented the operational procedures and capabilities of NOAA and ESOC to produce cloud and water vapor winds. These techniques employ standard correlation and template matching approaches to wind tracking and use qualitative and quantitative procedures to eliminate bad wind vectors from the wind data set. Techniques have also been developed to improve the quality of the operational winds though robust editing procedures (Hayden and Veldon 1991). These quality and control approaches have limitations, are often subjective, and constrain wind variability to be consistent with model derived wind fields. This paper describes research focused on the refinement of objective quality and control parameters for water vapor wind vector data sets. New quality and control measures are developed and employed to provide a more robust wind data set for climate analysis, data assimilation studies, as well as operational weather forecasting. The parameters are applicable to cloud-tracked winds as well with minor modifications. The improvement in winds through use of these new quality and control parameters is measured without the use of rawinsonde or modeled wind field data and compared with other approaches.

Jedlovec, Gary J.↗