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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Long-Term Changes in Light Scattering in Chesapeake Bay Inferred from Secchi Depth, Light Attenuation, and Remote Sensing Measurements

The relationship between the Secchi depth (Z(sub SD)) and the diffuse attenuation coefficient for photosynthetically active radiation (K(sub d)(PAR)), and in particular the product of the two, Z(sub SD) X K(sub d)(PAR), is governed primarily by the ratio of light scattering to absorption. We analyzed measurements of Z(sub SD) and K(sub d)(PAR) at main stem stations in Chesapeake Bay and found that the Z(sub SD) X K(sub d)(PAR) product has declined at rates varying from 0.020 to 0.033 /yr over the 17 to 25 years of measurement, implying that there has been a long -term increase in the scattering-to-absorption ratio. Remote sensing reflectance at the green wavelength most relevant to Z(sub SD) and K(sub d)(PAR) in these waters, R(sub rs)(555), did not exhibit an increasing trend over the 10 years of available measurements. To reconcile the observations we constructed a bio-optical model to calculate Z(sub SD), K(sub d)(PAR), Z(sub SD) X K(sub d)(PAR), and R(sub rs)(555) as a function of light attenuating substances and their mass-specific absorption and scattering coefficients. When simulations were based exclusively on changes in concentrations of light attenuating substances, a declining trend in Z(sub SD) E K(sub d) entailed an increasing trend in R(sub rs)(555), contrary to observations. To simulate both decreasing Z(sub SD) X K(sub d)(PAR) and stationary R(sub rs)(555), it was necessary to allow for a declining trend in the ratio of backscattering to total scattering. Within our simulations, this was accomplished by increasing the relative proportion of organic detritus with high mass-specific scattering and low backscattering ratio. An alternative explanation not explicitly modeled is an increasing tendency for the particulate matter to occur in large aggregates. Data to discriminate between these alternatives are not available.

Gallegos, Charles L.↗
DOE OSTI2024

Proton diffusion and hydrogen/deuterium exchange in amorphous solid water at temperatures from 114 to 134 K

The reaction coefficient for hydrogen/deuterium (H/D) exchange and the diffusion of hydrated excess protons within amorphous solid water (ASW) are characterized as a function of temperature. For these experiments, water films are deposited on a Pt(111) substrate at 108 K, and reactions with pre-adsorbed hydrogen atoms produce hydrated protons. Upon heating, protons diffuse within the water, and H/D exchange occurs when they encounter D2O probe molecules deposited in the films. The time-dependent concentration of D2O is monitored with infrared spectroscopy, and it indicates the protons diffusion from the substrate and establish an equilibrium distribution prior to significant H/D exchange for temperatures 114 K ≤T≤ 134 K. By controlling the distance between the D2O molecules and the substrate, we probe the distribution of protons within the film. It decays as x−2 for the examined range of x (12–52 nm) due to the electric field that develops between the diffusing protons and their image charges in the metal substrate. This agrees with the theoretical distance scaling for the equilibrated proton concentration in a dielectric near a metal boundary. From the proton concentration and the measured D2O decay rate, a lower bound for the proton diffusion coefficient ranging from 10−20 m2/s at 114 K to 10−18 m2/s at 134 K is estimated. The diffusion coefficient has an activation energy of 0.40 eV, which is comparable to energies reported for molecular translations and rotations of H2O, suggesting they may play a critical role in the proton diffusion mechanism within ASW.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Hydration and transport properties of cesium hydroxide and mixed cesium hydroxide–sodium nitrite aqueous solutions

Here, this study explores the hydration and transport properties of aqueous cesium hydroxide (CsOH) solution, with or without 1 molar (M) sodium nitrite (NaNO 2 ). Historic studies of electrolyte solutions indicate that Cs + ions decrease viscosity and increase diffusion rates, whereas OH − ions have the opposite effect. Here, the influence of OH − was dominant in CsOH solutions, leading to increased viscosity and reduced diffusion rates. There was a linear relationship between diffusion coefficients and water activity, emphasizing the significant role of ion–water interactions in determining transport properties. This may be because the interaction between Cs + and the anions is weak even when they are in direct contact with each other. The weakness of the ion-pairing was established through thermodynamic analysis. The findings suggest that ion-pairing is not the only important interaction controlling transport properties when ion-pairing is weak. Nonetheless, ion-pairing or obstructions did result in more sluggish transport properties as electrolyte concentrations increased. Overall, the research enhances the understanding of the complexities underlying ion interactions in multicomponent solutions.

Reynolds, Jacob G. [Hanford Site (HNF), Richland, ↗
NASA NTRS2002

Basal glycogenolysis in mouse skeletal muscle: in vitro model predicts in vivo fluxes

A previously published mammalian kinetic model of skeletal muscle glycogenolysis, consisting of literature in vitro parameters, was modified by substituting mouse specific Vmax values. The model demonstrates that glycogen breakdown to lactate is under ATPase control. Our criteria to test whether in vitro parameters could reproduce in vivo dynamics was the ability of the model to fit phosphocreatine (PCr) and inorganic phosphate (Pi) dynamic NMR data from ischemic basal mouse hindlimbs and predict biochemically-assayed lactate concentrations. Fitting was accomplished by optimizing four parameters--the ATPase rate coefficient, fraction of activated glycogen phosphorylase, and the equilibrium constants of creatine kinase and adenylate kinase (due to the absence of pH in the model). The optimized parameter values were physiologically reasonable, the resultant model fit the [PCr] and [Pi] timecourses well, and the model predicted the final measured lactate concentration. This result demonstrates that additional features of in vivo enzyme binding are not necessary for quantitative description of glycogenolytic dynamics.

Non-NASA Center↗
NASA NTRS1989

Incorporation of measured photosynthetic rate in a mathematical model for calculation of non-structural saccharide concentration

A simple mathematical model for calculating the concentration of mobile carbon skeletons in the shoot of soya bean plants [Glycine max (L.) Merrill cv. Ransom] was built to examine the suitability of measured net photosynthetic rates (PN) for calculation of saccharide flux into the plant. The results suggest that either measurement of instantaneous PN overestimated saccharide influx or respiration rates utilized in the model were underestimated. If neither of these is the case, end-product inhibition of photosynthesis or waste respiration through the alternative pathway should be included in modelling of CH2O influx or efflux; and even if either of these is the case, the model output at a low coefficient of leaf activity indicates that PN still may be controlled by either end-product inhibition or alternative respiration.

NASA Program CELSS↗
NASA NTRS2014

AE Geomagnetic Index Predictability for High Speed Solar Wind Streams: A Wavelet Decomposition Technique

High speed solar wind streams cause geomagnetic activity at Earth. In this study we have applied a wavelet interactive filtering and reconstruction technique on the solar wind magnetic field components and AE index series to allowed us to investigate the relationship between the two. The IMF Bz component was found as the most significant solar wind parameter responsible by the control of the AE activity. Assuming magnetic reconnection associated to southward directed Bz is the main mechanism transferring energy into the magnetosphere, we adjust parameters to forecast the AE index. The adjusted routine is able to forecast AE, based only on the Bz measured at the L1 Lagrangian point. This gives a prediction approximately 30-70 minutes in advance of the actual geomagnetic activity. The correlation coefficient between the observed AE data and the forecasted series reached values higher than 0.90. In some cases the forecast reproduced particularities observed in the signal very well.The high correlation values observed and the high efficacy of the forecasting can be taken as a confirmation that reconnection is the main physical mechanism responsible for the energy transfer during HILDCAAs. The study also shows that the IMF Bz component low frequencies are most important for AE prediction.

Space weather↗
DOE OSTI2024

Using Active Learning to Rapidly Develop Machine Learned Diffusion Coefficients of CO 2 Conversion Reagents in Metal–Organic Frameworks

Here, we used a combined molecular dynamics/active learning (AL) approach to create machine learning models that can predict the diffusion coefficient of epichlorohydrin and chloropropene carbonate, the reactant and product of a common CO 2 cycloaddition reaction, in metal–organic frameworks (MOFs). Nanoporous MOFs are effective catalysts for the cycloaddition of CO 2 to epoxides. The diffusion rates within nanoporous catalysts can control the rate of reaction as the reactants and products must diffuse to the active sites within the MOF and then out of the nanoporous material for reusability. However, the diffusion process is routinely ignored when searching for new materials in catalytic applications. Here we verified improvement during the AL process by consistently tracking metrics on the same groups of MOFs to ensure consistency. Metal identity was found to have little impact on diffusion rates, while structural features like pore limiting diameter act as a threshold where a minimum value is needed for high diffusion rates. We identified the MOFs with the highest epichlorohydrin and chloropropene carbonate diffusion coefficients which can be used for further studies of reaction energetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Iron catalyst chemistry in modeling a high-pressure carbon monoxide nanotube reactor

The high-pressure carbon monoxide (HiPco) technique for producing single-wall carbon nanotubes (SWNTs) is analyzed with the use of a chemical reaction model coupled with flow properties calculated along streamlines, calculated by the FLUENT code for pure carbon monoxide. Cold iron pentacarbonyl, diluted in CO at about 30 atmospheres, is injected into a conical mixing zone, where hot CO is also introduced via three jets at 30 degrees with respect to the axis. Hot CO decomposes the Fe(CO)5 to release atomic Fe. Then iron nucleates and forms clusters that catalyze the formation of SWNTs by a disproportionation reaction (Boudouard) of CO on Fe-containing clusters. Alternative nucleation rates are estimated from the theory of hard sphere collision dynamics with an activation energy barrier. The rate coefficient for carbon nanotube growth is estimated from activation energies in the literature. The calculated growth was found be about an order of magnitude greater than measured, regardless of the nucleation rate. A study of cluster formation in an incubation zone prior to injection into the reactor shows that direct dimer formation from Fe atoms is not as important as formation via an exchange reaction of Fe with CO in FeCO.

Evaluation Studies↗
NASA NTRS1972

Applications of activation analysis to geochemical, meteoritic and lunar studies.

The application of activation analysis techniques to the analysis of cosmological materials, i.e., terrestrial, tektitic, meteoritic, and lunar matter, is reviewed. Elemental determinations can be made by instrumental fast-neutron and thermal-neutron activation analysis, photonuclear and charged-particle activation analysis, and by radiochemical neutron activation analysis. Partition-coefficient methods, autoradiography studies, gamma-gamma coincidence counting, and age determination by neutron activation are discussed. Attention is given to K-Ar and I-Xe dating of meteorites.

Showalter, D. L.↗
DOE OSTI2026

Effect of Solvent on the Local Structure, Dynamics, and Vibrational Density of States in Sn-BEA Zeolite

Lewis acid zeolites are attractive catalysts for epoxidation and biomass valorization, as they are highly active and selective in the liquid phase and can operate at or near ambient conditions. While a rich experimental literature exists on liquid-phase Lewis acid zeolite catalysis, our understanding of the molecular organization and solvent dynamics in the vicinity of Lewis acid sites with differing metal site speciation remains limited. In this work, we investigate the molecular coordination and diffusion of two common solvents (methanol and water) around the closed and open Sn-BEA zeolite active sites using molecular dynamics simulations with a machine-learned interatomic potential trained on ab initio molecular dynamics trajectories. Molecular dynamics simulations reveal that introducing active sites significantly enhances local order in the first and second solvation shells compared to the pure silica case. For methanol, both closed and open active sites are singly coordinated, while more than two water molecules coordinate the open site. In contrast to methanol, we observed that water molecules dissociate, leading to the formation of additional Sn-OH and silanol groups away from the active site. The diffusion coefficients of water and methanol are functions of the solvent population in the pore. Here, our work provides insights into how active site speciation in Lewis acid zeolites affects solvent coordination, diffusion, and vibrational signature. This information is foundational for catalyst design and optimization of liquid-phase catalytic processes in zeolites. It also demonstrates the suitability of machine-learned interatomic potentials for modeling reactive systems, enabling sufficiently long trajectories for appropriate statistical averaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Friction and wear behavior of single-crystal silicon carbide in sliding contact with various metals

Sliding friction experiments were conducted with single-crystal silicon carbide in contact with various metals. Results indicate the coefficient of friction is related to the relative chemical activity of the metals. The more active the metal, the higher the coefficient of friction. All the metals examined transferred to silicon carbide. The chemical activity of the metal and its shear modulus may play important roles in metal transfer, the form of the wear debris and the surface roughness of the metal wear scar. The more active the metal, and the less resistance to shear, the greater the transfer to silicon carbide and the rougher the wear scar on the surface of the metal. Hexagon shaped cracking and fracturing formed by cleavage of both prismatic and basal planes is observed on the silicon carbide surface.

Miyoshi, K.↗
NASA NTRS1978

Friction and wear behavior of single-crystal silicon carbide in sliding contact with various metals

Sliding friction experiments were conducted with single-crystal silicon carbide in contact with various metals. Results indicate the coefficient of friction is related to the relative chemical activity of the metals. The more active the metal, the higher the coefficient of friction. All the metals examined transferred to silicon carbide. The chemical activity of the metal and its shear modulus may play important roles in metal-transfer, the form of the wear debris and the surface roughness of the metal wear scar. The more active the metal, and the less resistance to shear, the greater the transfer to silicon carbide and the rougher the wear scar on the surface of the metal. Hexagon-shaped cracking and fracturing formed by cleavage of both prismatic and basal planes is observed on the silicon carbide surface.

Miyoshi, K.↗
NASA NTRS2019

EARLINET Evaluation of the CATS L2 Aerosol Backscatter Coefficient Product

We present the evaluation activity of the European Aerosol Research Lidar Network (EARLINET) for the quantitative assessment of the Level 2 aerosol backscatter coefficient product derived by the Cloud-Aerosol Transport System (CATS) onboard the International Space Station (ISS). The study employs correlative CATS and EARLINET backscatter measurements within 50km distance between the ground station and the ISS overpass and as close in time as possible, typically within 90min, from February 2015 to September 2016. The results demonstrate the good agreement of CATS Level 2 backscatter coefficient and EARLINET. Three ISS overpasses close to the EARLINET stations of Leipzig-Germany, Évora-Portugal and Dushanbe-Tajikistan are analysed here to demonstrate the performance of CATS lidar system under different conditions. The results show that under cloud-free, relative homogeneous aerosol conditions CATS is in good agreement with EARLINET, independently of daytime/nighttime conditions. CATS low negative biases, partially attributed to the deficiency of lidar systems to detect tenuous aerosol layers of backscatter signal below the minimum detection thresholds, may lead to systematic deviations and slight underestimations of the total Aerosol Optical Depth (AOD) in climate studies. In addition, CATS misclassification of aerosol layers as clouds, and vice versa, in cases of coexistent and/or adjacent aerosol and cloud features, may lead to non-representative, unrealistic and cloud contaminated aerosol profiles. The distributions of backscatter coefficient biases show the relatively good agreement between the CATS and EARLINET measurements, although on average underestimations are observed, 22.3% during daytime and 6.1% during nighttime.

EARLINET/CATS evaluation↗
NASA NTRS2020

EARLINET evaluation of the CATS Level 2 aerosol backscatter coefficient product

We present the evaluation activity of the European Aerosol Research Lidar Network (EARLINET) for the quantitative assessment of the Level 2 aerosol backscatter coefficient product derived by the Cloud-Aerosol Transport System (CATS) aboard the International Space Station (ISS; Rodier et al., 2015). The study employs correlative CATS and EARLINET backscatter measurements within a 50 km distance between the ground station and the ISS overpass and as close in time as possible, typically with the starting time or stopping time of the EARLINET performed measurement time window within 90 min of the ISS overpass, for the period from February 2015 to September 2016. The results demonstrate the good agreement of the CATS Level 2 backscatter coefficient and EARLINET. Three ISS overpasses close to the EARLINET stations of Leipzig, Germany; Évora, Portugal; and Dushanbe, Tajikistan, are analyzed here to demonstrate the performance of the CATS lidar system under different conditions. The results show that under cloud-free, relative homogeneous aerosol conditions, CATS is in good agreement with EARLINET, independent of daytime and nighttime conditions. CATS low negative biases are observed, partially attributed to the deficiency of lidar systems to detect tenuous aerosol layers of backscatter signal below the minimum detection thresholds; these are biases which may lead to systematic deviations and slight underestimations of the total aerosol optical depth (AOD) in climate studies. In addition, CATS misclassification of aerosol layers as clouds, and vice versa, in cases of coexistent and/or adjacent aerosol and cloud features, occasionally leads to non-representative, unrealistic, and cloud-contaminated aerosol profiles. Regarding solar illumination conditions, low negative biases in CATS backscatter coefficient profiles, of the order of 6.1 %, indicate the good nighttime performance of CATS. During daytime, a reduced signal-to-noise ratio by solar background illumination prevents retrievals of weakly scattering atmospheric layers that would otherwise be detectable during nighttime, leading to higher negative biases, of the order of 22.3 %.

Emmanouil Proestakis↗
NASA NTRS1993

Synergism of active and passive microwave data for estimating bare surface soil moisture

Active and passive microwave sensors were applied effectively to the problem of estimating the surface soil moisture in a variety of environmental conditions. Research to date has shown that both types of sensors are also sensitive to the surface roughness and the vegetation cover. In estimating the soil moisture, the effect of the vegetation and roughness are often corrected either by acquiring multi-configuration (frequency and polarization) data or by adjusting the surface parameters in order to match the model predictions to the measured data. Due to the limitations on multi-configuration spaceborne data and the lack of a priori knowledge of the surface characteristics for parameter adjustments, it was suggested that the synergistic use of the sensors may improve the estimation of the soil moisture over the extreme range of naturally occurring soil and vegetation conditions. To investigate this problem, the backscattering and emission from a bare soil surface using the classical rough surface scattering theory were modeled. The model combines the small perturbation and the Kirchhoff approximations in conjunction with the Peak formulation to cover a wide range of surface roughness parameters with respect to frequency for both active and passive measurements. In this approach, the same analytical method was used to calculate the backscattering and emissivity. Therefore, the active and passive simulations can be combined at various polarizations and frequencies in order to estimate the soil moisture more actively. As a result, it is shown that (1) the emissivity is less dependent on the surface correlation length, (2) the ratio of the backscattering coefficient (HH) over the surface reflectivity (H) is almost independent of the soil moisture for a wide range of surface roughness, and (3) this ratio can be approximated as a linear function of the surface rms height. The results were compared with the data obtained by a multi-frequency radiometer-scatterometer system working at frequencies between 3.0 GHz to 11.0 GHz. The data were acquired over bare soil surfaces with moisture variations due to freezing and thawing and roughness changes due to rain and erosion. The model predictions are shown to be in reasonable agreement with the data. In addition, it was shown that the same ratio when calculated from the data shows almost no dependence on the soil moisture. Finally, a simple technique which combines the backscattering coefficient at HH polarization (active sensing) with the emissivity at H polarization (passive sensing) is suggested for retrieving the soil moisture from bare soil surfaces.

Saatchi, Sasan S.↗
NASA NTRS2015

The Combined Strength of Thermodynamics and Comparative Planetology: Application of Activity Models to Core Formation in Terrestrial Bodies

Recent models for accretion of terrestrial bodies involve metal-silicate equilibrium as the metallic core formed during growth. Most elements considered are either refractory or well studied elements for which effects of pressure, temperature, oxygen fugacity, and metallic liquid composition are well known. There are a large number of elements that are both siderophile and volatile, whose fate in such models is unknown, largely due to a lack of data at comparable conditions and com-positions (FeNi core with light elements such as S, C, Si, and O). We have focused on Ge, In, As, Sb and determined the effect of Si and C on metal-silicate partitioning, and developed a thermo-dynamic model that allows application of these new data to a wide range of planetary bodies. New experiments: We have previously carried out experiments with FeSi metallic liquid at C-saturated conditions at 1600 and 1800 C [4]. In a new series of experiments we investigate the effect of Si in carbon-free systems at 1600 C for comparison. Experiments were carried out at 1 GPa in MgO capsules using the same basaltic starting composition as in previous studies. The MgO capsule reacts with the silicate melt to form more MgO-rich liquids that have 22-26 wt% MgO. Experimental met-als and silicates were analyzed using a combination of electron microprobe analysis and laser ablation ICP-MS. Results: The new results can be interpreted by considering Ge as an example, in the simple exchange equilibrium Fe + GeO = FeO + Ge, where the equilibrium constant Kd can be examined as a function of Si content of the metal. The slope of lnKd vs. (1-XSi) for this new series allows derivation of the epsilon interaction parameter for each of these four elements and Si (both C-saturated and C-free).All four elements have positive epsilon values, indicating that Si causes a decrease in the partition coefficients; values are 6.6, 6.5, 27.8 and 25.2 for In, Ge, As, and Sb, respectively, at 1 GPa and 1600 C. As an example of how large the effect of Si can be, these epsilon values correspond to activity coefficients (gamma) for As of 0.01 when XSi = 0, and up to gamma = 23 when XSi = 0.2. Combining these new results with previous determinations [5,6] of epsilon parameters for S and C for these elements allows us calculate activity of Ge, In, As, and Sb in Fe-Ni-Si-S-C-O metallic liquids. We apply this new model to sever-al terrestrial bodies such as Earth (Si-rich core), Mars (S-rich core), Moon (S-, C-, and Si-poor core), and Vesta, and examine the resulting core and mantle concentrations of these elements. Mantle concentrations of these four elements are well explained for Earth and Mars in models that call for mid-mantle equilibration between Si-bearing and S-bearing FeNi cores, respectively. Modeling results for the Moon and Vesta will also be presented.

Righter, K.↗