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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

HCMM energy budget data as a model input for assessing regions of high potential groundwater pollution

The author has identified the following significant results. The finite difference model was used to calculate the differences in surface temperature between two hypothetical sites which result from a temperature difference at 50 cm due to the presence of shallow ground water at one of the sites. Although qualitative results of the model seemed consistant with experimental results, further evaluation showed a need for taking account of differences in thermal conductivity due to different moisture profiles at the two sites considered.

Moore, D. G.↗
NASA NTRS1932

Application of the theory of free jets

Based upon Kirchoff's theory of free jets the flow through different screen arrangements of flat plates, as chiefly encountered with turbines in the cavitation zone is defined. It is shown by experiments that these theoretical results are very well representative in most cases of the conditions of discharge from water in air and consequently by cavitation. In addition, the experiments reveal a picture of the discrepancies between the actual flow and the theory of discharge of air in air (of water in water without cavitation). These discrepancies are explained qualitatively by the mingling processes between the jets and the dead air zones.

Betz, A↗
NASA NTRS1998

Simulation of Long Lived Tracers Using an Improved Empirically-Based Two-Dimensional Model Transport Algorithm

We have developed a new empirically-based transport algorithm for use in our GSFC two-dimensional transport and chemistry assessment model. The new algorithm contains planetary wave statistics, and parameterizations to account for the effects due to gravity waves and equatorial Kelvin waves. We will present an overview of the new algorithm, and show various model-data comparisons of long-lived tracers as part of the model validation. We will also show how the new algorithm gives substantially better agreement with observations compared to our previous model transport. The new model captures much of the qualitative structure and seasonal variability observed methane, water vapor, and total ozone. These include: isolation of the tropics and winter polar vortex, the well mixed surf-zone region of the winter sub-tropics and mid-latitudes, and the propagation of seasonal signals in the tropical lower stratosphere. Model simulations of carbon-14 and strontium-90 compare fairly well with observations in reproducing the peak in mixing ratio at 20-25 km, and the decrease with altitude in mixing ratio above 25 km. We also ran time dependent simulations of SF6 from which the model mean age of air values were derived. The oldest air (5.5 to 6 years) occurred in the high latitude upper stratosphere during fall and early winter of both hemispheres, and in the southern hemisphere lower stratosphere during late winter and early spring. The latitudinal gradient of the mean ages also compare well with ER-2 aircraft observations in the lower stratosphere.

Fleming, Eric L.↗
DOE OSTI2022

On the mechanisms of ion adsorption to aqueous interfaces: air-water vs. oil-water

The adsorption of ions to water-hydrophobe interfaces influences a wide range of phenomena, including chemical reaction rates, ion transport across biological membranes, and electrochemical and many catalytic processes; hence, developing a detailed understanding of the behavior of ions at water-hydrophobe interfaces is of central interest. Here, we characterize the adsorption of the chaotropic thiocyanate anion (SCN − ) to two prototypical liquid hydrophobic surfaces, water-toluene and water-decane, by surface-sensitive nonlinear spectroscopy and compare the results against our previous studies of SCN − adsorption to the air-water interface. For these systems, we observe no spectral shift in the charge transfer to solvent spectrum of SCN − , and the Gibb’s free energies of adsorption for these three different interfaces all agree within error. We employed molecular dynamics simulations to develop a molecular-level understanding of the adsorption mechanism and found that the adsorption for SCN − to both water-toluene and water-decane interfaces is driven by an increase in entropy, with very little enthalpic contribution. This is a qualitatively different mechanism than reported for SCN − adsorption to the air-water and graphene-water interfaces, wherein a favorable enthalpy change was the main driving force, against an unfavorable entropy change.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Ground-based observations of cloud and drizzle liquid water path in stratocumulus clouds

Abstract. The partition of cloud and drizzle water path in precipitating clouds plays a key role in determining the cloud lifetime and its evolution. A technique to quantify cloud and drizzle water path by combining measurements from a three-channel microwave radiometer (23.8, 30, and 90 GHz) with those from a vertically pointing Doppler cloud radar and a ceilometer is presented. The technique is showcased using 1 d of observations to derive precipitable water vapor, liquid water path, cloud water path, drizzle water path below the cloud base, and drizzle water path above the cloud base in precipitating stratocumulus clouds. The resulting cloud and drizzle water path within the cloud are in good qualitative agreement with the information extracted from the radar Doppler spectra. The technique is then applied to 10 d each of precipitating closed and open cellular marine stratocumuli. In the closed-cell systems only ~20 % of the available drizzle in the cloud falls below the cloud base, compared to ~40 % in the open-cell systems. In closed-cell systems precipitation is associated with radiative cooling at the cloud top <-100W m -2 and a liquid water path >200 g m -2 . However, drizzle in the cloud begins to exist at weak radiative cooling and liquid water path >~150 g m-2. Our results collectively demonstrate that neglecting scattering effects for frequencies at and above 90 GHz leads to overestimation of the total liquid water path of about 10 %–15 %, while their inclusion paves the path for retrieving drizzle properties within the cloud.

Cadeddu, Maria P.↗
DOE OSTI2020

Signatures of a liquid–liquid transition in an ab initio deep neural network model for water

Significance Water is central across much of the physical and biological sciences and exhibits physical properties that are qualitatively distinct from those of most other liquids. Understanding the microscopic basis of water’s peculiar properties remains an active area of research. One intriguing hypothesis is that liquid water can separate into metastable high- and low-density liquid phases at low temperatures and high pressures, and the existence of this liquid–liquid transition could explain many of water’s anomalous properties. We used state-of-the-art approaches in computational quantum chemistry, statistical mechanics, and machine learning and obtained evidence consistent with a liquid–liquid transition, supporting the argument for the existence of this phenomenon in real water.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electrochemical Corrosion of SIMFUEL: Effects of dissolved H2 and noble metal particles

This report describes the results from electrochemical corrosion tests that were conducted using simulated spent fuel (SIMFUEL) materials comprised of UO2 and surrogate fission products. Two SIMFUEL compositions were tested to quantify the effect of noble metal inclusions and dissolved H2 on the UO2 dissolution rate. One material consisted of UO2 with added lanthanide oxides (UO2 N) and the other consisted of UO2 with added lanthanide oxides and noble metals (UO2-H) at concentrations to simulate high burnup fuel. The electrochemical corrosion tests on the SIMFUEL materials were conducted in aqueous electrolyte solutions (pH 10) that were either saturated with air or purged with a H2/Ar gas mixture to maintain a constant dissolved H2 concentration. The results from electrochemical corrosion tests on SIMFUEL can be applied to qualitatively understand and also quantify the separate effects of water chemistry and fuel composition on the degradation behavior of the UO2 matrix. Open circuit potential (OCP) measurements on a SIMFUEL material of known composition (i.e., known fraction of NMPs at the fuel surface) immersed in a known solution chemistry (i.e., pH, Eh, [O2], [H2]) at known temperature provide qualitative insight into the degradation behavior of the UO2 matrix. If the OCP is above the threshold potential at which the oxidative dissolution of U(IV) to U(VI) occurs, the SNF is expected to degrade by oxidative processes under the experimental conditions. The net currents that are measured during potentiostatic tests, during which the surface potential of the SIMFUEL material is fixed by a potentiostat, can be used to quantify the UO2 degradation rate and optimize the rate constant values used in the Fuel Matrix Degradation Model (FMDM) for half reactions that occur on the SNF surface. Specifically, electrochemical measurements enable the estimation of the total anodic current at ECORR–which is the surface potential at which the total anodic and total cathodic currents are equal–so that the rate constant values for key reactions can be calculated. The open circuit potential measurements, potentiostatic tests, surface property measurements (scanning electron microscopy images and electrochemical impedence spectroscopy plots), and solution elemental composition analyses are being performed to update and optimize the FMDM. A case study is presented herein to show how electrochemical corrosion test results and accompanying characterization results for the UO2 N material in air-saturated solution can be used to validate the SNF surface reaction module of the FMDM. Future electrochemical tests will be conducted to provide quantitative information on the effects of NM content (burnup), H2 concentration, water chemistry, temperature, and galvanic couples with cladding and EBS alloys on UO2 degradation that can be used to improve the accuracy and functionality of the FMDM.

Thomas, Sara↗
NASA NTRS2021

Assessing Cyanobacterial Frequency and Abundance at Surface Waters Near Drinking Water Intakes Across the United States

This study presents the first large-scale assessment of cyanobacterial frequency and abundance of surface water near drinking water intakes across the United States. Public water systems serve drinking water to nearly 90% of the United States population. Cyanobacteria and their toxins may degrade the quality of finished drinking water and can lead to negative health consequences. Satellite imagery can serve as a cost-effective and consistent monitoring technique for surface cyanobacterial blooms in source waters and can provide drinking water treatment operators information for managing their systems. This study uses satellite imagery from the European Space Agency’s Ocean and Land Colour Instrument (OLCI) spanning June 2016 through April 2020. At 300-m spatial resolution, OLCI imagery can be used to monitor cyanobacteria in 685 drinking water sources across 285 lakes in 44 states, referred to here as resolvable drinking water sources. First, a subset of satellite data was compared to a subset of responses (n = 84) submitted as part of the U.S. Environmental Protection Agency’s fourth Unregulated Contaminant Monitoring Rule (UCMR 4). These UCMR 4 qualitative responses included visual observations of algal bloom presence and absence near drinking water intakes from March 2018 through November 2019. Overall agreement between satellite imagery and UCMR 4 qualitative responses was 94% with a Kappa coefficient of 0.70. Next, temporal frequency of cyanobacterial blooms at all resolvable drinking water sources was assessed. In 2019, bloom frequency averaged 2% and peaked at 100%, where 100% indicated a bloom was always present at the source waters when satellite imagery was available. Monthly cyanobacterial abundances were used to assess short-term trends across all resolvable drinking water sources and effect size was computed to provide insight on the number of years of data that must be obtained to increase confidence in an observed change. Generally, 2016-2020 was an insufficient time period for confidently observing changes at these source waters; on average, a decade of satellite imagery would be required for observed environmental trends to outweigh variability in the data. However, five source waters did demonstrate a sustained short-term trend, with one increasing in cyanobacterial abundance from June 2016 to April 2020 and four decreasing.

remote sensing↗
NASA NTRS1979

The correlation and quantification of airborne spectroradiometer data to turbidity measurements at Lake Powell, Utah

A water sampling program was accomplished at Lake Powell, Utah, during June 1975 for correlation to multispectral data obtained with a 500-channel airborne spectroradiometer. Field measurements were taken of percentage of light transmittance, surface temperature, pH and Secchi disk depth. Percentage of light transmittance was also measured in the laboratory for the water samples. Analyses of electron micrographs and suspended sediment concentration data for four water samples located at Hite Bridge, Mile 168, Mile 150 and Bullfrog Bay indicated differences in the composition and concentration of the particulate matter. Airborne spectroradiometer multispectral data were analyzed for the four sampling locations. The results showed that: (1) as the percentage of light transmittance of the water samples decreased, the reflected radiance increased; and (2) as the suspended sediment concentration (mg/l) increased, the reflected radiance increased in the 1-80 mg/l range. In conclusion, valuable qualitative information was obtained on surface turbidity for the Lake Powell water spectra. Also, the reflected radiance measured at a wavelength of 0.58 micron was directly correlated to the suspended sediment concentration.

Merry, C. J.↗
DOE OSTI2023

Pore Structure and Wettability of Bossier Shale, East Texas, United States: Insights from Integrated Porosimetry, Scattering, and Imbibition Approaches

In this study, ascertaining the pore geometry and wettability characteristics of tight shales is of great significance for revealing the mechanisms of occurrence, migration, and production of shale resources. Taking the Bossier Shale collected from Well A, East Texas, USA, as an example, the pore geometry and wettability behavior in a broad nm-& μm scale pore spectrum were quantified based on integrated techniques, including water immersion porosimetry (WIP), mercury intrusion porosimetry(MIP), (ultra)small-angle X-ray scattering [(U)SAXS], contact angle, and liquid spontaneous imbibition (SI). Mainly owing to differences in the sample sizes used, data interpretation, as well as the detectable pore type (e.g., connected or not) and pore diameter ranges among different methods, sample porosities derived from WIP, MIP, and (U)SAXS were quite different, which range from 7.70 to 13.34%, 5.12 to 9.52%, and 2.48 to 6.44%, respectively. Therefore, a comparison of the porosities derived from different methods must be handled with utmost care. Additionally, although (U)SAXS is an effective technique for detecting both connected and non-connected pores, the fraction of non-connected pores could be underestimated by directly comparing the pore size distribution derived from (U)SAXS and MIP tests. This is because the sample sizes used for and pore information reflected by these two methods are different. Furthermore, the studied Bossier Shales exhibited various contact angle values and imbibition behaviors when using differently polarized liquids, revealing their mixed-wet characteristics. Comprehensively considering the differences in contact angle, imbibition slope, and imbibed liquid volume, three sub-categories of wettability behavior, with respect to more oil-wet, more water-wet, and intermediate mixed-wet, were qualitatively identified.

(U)SAXS↗
NASA NTRS1987

Strake-generated vortex interactions for a fighter-like configuration

A combination of the Euler, and thin-layer Navier-Stokes equations were solved for the flowfield around a wing-strake-fuselage configuration similar to the F-16A aircraft. The flowfield was divided into multiple blocks using a zoning program, and the TNSWF solution program, based on an implicit solution algorithm, updates each subregion of the flowfield sequentially. The total grid contained approximately 300,000 grid points, and clustering was effected normal to all aircraft surfaces. The computed solutions agreed well quantitatively with wind-tunnel pressure distribution data, and they agreed well qualitatively with flow visualization from wind- and water-tunnel tests.

Reznick, Steven G.↗
NASA NTRS1992

Development of an improved model for runback water on aircraft surfaces

A computer simulation for 'running wet' and evaporative aircraft anti-icing systems is developed. The model is based on the analysis of the liquid water film which forms in the regions of direct impingement and, then, breaks up near the impingement limits into rivulets. The wetness factor distribution resulting from the film breakup and the rivulet configuration on the surface are predicted using a stability analysis theory and the laws of mass energy conservation. The solid structure is modeled as a multiple layer wall. The anti-icing system modeled is of the thermal type utilizing hot air and/or electrical heating elements embedded within the wall layers. Experimental observations revealing some of the basic physics of the water flow on the surface are presented. Detailed qualitative documentation of the tests are given. Several numerical examples are considered, and the effect of some of the involved parameters on the system performance are investigated.

Al-Khalil, Kamel M.↗
DOE OSTI2023

Large-scale molecular dynamics simulations of bubble collapse in water: Effects of system size, water model, and nitrogen

Molecular dynamics simulations in the microcanonical ensemble are performed to study the collapse of a bubble in liquid water using the single-site mW and the four-site TIP4P/2005 water models. To study system size effects, simulations for pure water systems are performed using periodically replicated simulation boxes with linear dimensions, L, ranging from 32 to 512 nm with the largest systems containing 8.7 × 10 6 and 4.5 × 10 9 molecules for the TIP4P/2005 and mW water models, respectively. The computationally more efficient mW water model allows us to reach converging behavior when the bubble dynamics results are plotted in reduced units, and the limiting behavior can be obtained through linear extrapolation in L –1 . Qualitative differences are observed between simulations with the mW and TIP4P/2005 water models, but they can be explained by the models’ differences in predicted viscosity and surface tension. Although bubble collapse occurs on time scales of only hundreds of picoseconds, the system sizes used here are sufficiently large to obtain bubble dynamics consistent with the Rayleigh–Plesset equation when using the models’ thermophysical properties as input. For the conditions explored here, extreme heating of the interfacial water molecules near the time of collapse is observed for the larger mW water systems (but the model underpredicts the viscosity), whereas heating is less pronounced for the TIP4P/2005 water systems because its larger viscosity contribution slows the collapse dynamics. The presence of nitrogen within the bubble only starts to affect bubble dynamics near the very end of the initial collapse, leading to an incomplete collapse and strong rebound for the mW water model. Although nitrogen is non-condensable at 300 K, it becomes highly compressed and reaches a liquid-like density near the collapse point. We find that the dissolution of nitrogen is much slower than the movement of the collapsing water front, and the re-expansion of the dense nitrogen droplet gives rise to bubble rebound. The incompatibility of the collapse and dissolution time scales should be considered for continuum-scale modeling of bubble dynamics. Finally, we also confirm that the diffusion coefficient for dissolved nitrogen is insensitive to pressure as the liquid transitions from a compressed to a stretched state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

CalWave Open Water Demo - FMEA Update Budget Period 2

The Failure Modes and Effects Analysis (FMEA) is a qualitative reliability technique for systematically analyzing each possible failure mode within a hardware system, and identifying the resulting effect on that system, the mission, and the personnel. This submission includes an updated FMEA summary for CalWave's open water demonstration including pre- and post-mitigation results, hazard identification (HAZID) analysis, and component/function rooted FMEA.

16 TIDAL AND WAVE POWER↗
NASA NTRS2002

Preliminary Investigation of Stagnation Point Liquid Injection Influence on Blunt Body Aerodynamics

A preliminary investigation has been performed to determine the influence of stagnation point water injection on the hypersonic aerodynamic forces and moments for two-dimensional blunt bodies. This investigation was performed in the Langley 20-Inch Mach 6 Air Tunnel, and represents the qualitative first phase of a study to examine the potential benefits of water injection to reduce aerodynamic drag and aero-heating. Tests with a 4-inch diameter hemisphere cylinder and a 4-inch diameter cylinder with a span 1.5 times the diameter were performed over a range of free-stream unit Reynolds number from two million to six million per ft and of angle of attack (-5 deg to 5 deg) with water and gaseous nitrogen injection at the geometric stagnation point. The momentum flux ratio, that is, the ratio of the momentum flux of the jet to that of the free-stream flow, was varied from the non-blowing value of zero up to 0.00031 by maintaining the jet momentum fixed and varying the free-stream momentum, hence Reynolds number. The effect of water injection on the aerodynamic drag coefficient for the hemisphere cylinder was observed to be negligible as the momentum flux ratio was increased to 0.00017, but decreased significantly as this ratio increased above 0.00017; a nearly 50 percent reduction in drag occurred for a factor of two increase in momentum flux ratio.

Woods, William C.↗
DOE OSTI2025

Infrared spectral signatures of interfacial water at TiO 2 –electrolyte interfaces from deep potential molecular dynamics

Vibrational spectroscopy is a powerful tool for probing water at oxide–electrolyte interfaces, but its molecular interpretation can be challenging. Here, we employ deep potential long-range molecular dynamics simulations with layer-resolved spectral analysis to investigate the microscopic origins of the infrared (IR) response of water at the interface with anatase TiO 2 (101), a prototypical oxide surface. The calculated interfacial spectra exhibit characteristic modifications compared to bulk water IR spectra, including enhanced intensities, a red shifted and broadened stretching band, and a higher-frequency shoulder, in qualitative agreement with experiments. Spectral decomposition shows that these signatures originate mainly from the first interfacial water layer, dominated by surface-bound H 2 O at Ti 5C sites, with secondary contributions from the second layer. A moderate salt concentration (0.4 M NaCl) leaves both the interfacial structure and the spectra essentially unchanged, while tuning the pH strongly modulates the spectral intensity. We establish a scaling relation linking the spectral intensity to the surface water dissociation fraction and the dipole moment, both governed by interfacial electric fields. These findings provide a microscopic framework for interpreting IR spectra of oxide–electrolyte interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Water Content of the Oceanic Lithosphere at Hawaii from FTIR Analysis of Peridotite Xenoliths

Although water in the mantle is mostly present as trace H dissolved in minerals, it has a large influence on its melting and rheological properties. The water content of the mantle lithosphere beneath continents is better constrained by abundant mantle xenolith data than beneath oceans where it is mainly inferred from MORB glass analysis. Using Fourier transform infrared (FTIR) spectrometry, we determined the water content of olivine (Ol), clinopyroxene (Cpx) and orthopyroxene (Opx) in spinel peridotite xenoliths from Salt Lake Crater, Oahu, Hawaii, which are thought to represent fragments of the Pacific oceanic lithosphere that was refertilized by alkalic Hawaiian melts. Only Ol exhibits H diffusion profiles, evidence of limited H loss during xenolith transport to the surface. Water concentrations (Ol: 9-28 ppm H2O, Cpx: 246-566 ppm H2O, Opx: 116-224 ppm H2O) are within the range of those from continental settings but higher than those from Gakkel ridge abyssal peridotites. The Opx H2O contents are similar to those of abyssal peridotites from Atlantic ridge Leg 153 (170-230 ppm) but higher than those from Leg 209 (10- 14 ppm). The calculated bulk peridotite water contents (94 to 144 ppm H2O) are in agreement with MORB mantle source water estimates and lower than estimates for the source of Hawaiian rejuvenated volcanism (approx 540 ppm H2O) . The water content of Cpx and most Opx correlates negatively with spinel Cr#, and positively with pyroxene Al and HREE contents. This is qualitatively consistent with the partitioning of H into the melt during partial melting, but the water contents are too high for the degree of melting these peridotites experienced. Melts in equilibrium with xenolith minerals have H2O/Ce ratios similar to those of OIB

Peslier, Anne H.↗
DOE OSTI2023

Many-body expansion for light nuclear systems

Here we extend the many-body expansion (MBE), previously applied to hydrogen bonded and molecular systems, to the light nuclear systems 3 H and 3 He by considering the nucleonic degrees of freedom as fundamental in the expansion. The analysis is based on the Pauli nucleonic dynamics (PND) model, a simple antisymmetrized dynamical code, inspired by the sophisticated constrained molecular dynamics (CoMD) model. The total energy of the 2 H nucleus is calculated with this model at -2.312 MeV, which is within 4% of the experimental value of -2.225 MeV. The application of the MBE yields results for the three-body term in the 3 H nucleus that is comparable with previous estimates, while it is reported for the first time for the nucleus of 3 He . The energies of 3 H and 3 He that include the sum of the one- and two-body terms with the model are - 6.97 ± 0.21 MeV and - 6.19 ± 0.21 MeV and the three-body terms, estimated from the difference of the sum of the one- and two-body terms from the experimentally measured energies, are -1.51 ± 0.21 MeV and -1.53 ± 0.21 MeV, respectively. The MBE for the 3 H and 3 He nuclei is qualitatively similar to the one previously reported for the water trimer: the two- and three-body terms are negative with the latter amounting to ~3% of the former. Additionally, the three-body terms correspond to about 16–23% of the total energy of the bound systems, a percentage that is also comparable to the one in the water trimer (17%). In this manner, the MBE analysis can be applied to light nuclear systems following the same protocol as the one that has been previously extensively used for hydrogen bonded molecular systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗