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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Solubility of HOBr in Acidic Solution and Implications for Liberation of Halogens Via Aerosol Processing

Halogen species are known to catalytically destroy ozone in several regions of the atmosphere. In addition to direct catalytic losses, bromine compounds can indirectly enhance ozone loss through coupling to other radical families. Hypobromous acid (HOBr) is a key species in the linkage of BrOx to ClOx and HOx. The aqueous- phase coupling reaction HOBr + HCI (right arrow) BrCl + H2O may provide a pathway for chlorine activation on sulfate aerosols at temperatures warmer than those required for polar stratospheric cloud formation. We have measured t h e solubility of HOBr in 45 - 70 wt% sulfuric acid solutions. Over the temperature range 201 - 252 K, HOBr is quite soluble in sulfuric acid, H* = 10(exp 4) - 10(exp 7) mol dm(exp -3) atm(exp -1). The expected inverse dependence of H* on temperature was observed, but only a weak dependence on acidity was found. The solubility of HOBr is comparable to that of HBr, indicating that equilibrium concentrations of HOBr could equal or exceed those of HBr in upper tropospheric and lower stratospheric aerosols. Despite the high solubility of HOBr, aerosol volumes are not large enough to sequester a significant fraction of inorganic bromine from the gas phase. Our measurements of HOBr uptake in aqueous sulfuric acid in the presence of other brominated gases show the evolution of gaseous products including Br2O and Br2.

Iraci, Laura T.↗
DOE OSTI2021

A practical approach for identifying various polarization behaviors of redox-stable electrodes in symmetrical solid oxide fuel cells

In symmetrical solid oxide fuel cells, comprehensively understanding the elementary reaction processes and the polarization behaviors of redox-stable electrode materials is critical for further optimization of the electrode performance. In this work, a systematical and practical approach, based on electrochemical impedance spectroscopy technology, is applied to identify the rate-limiting elementary reactions of the redox-stable electrodes. The feasibility of this proposed method is demonstrated in symmetrical solid oxide fuel cells with Sr 2 Fe 1.5 Mo 0.5 O 6-σ -Ce 0.9 Gd 0.1 O 1.95 as electrodes. Based on the characteristic frequency ranges and the experimental results tested under various fuel gas components, operating temperatures, and discharge current densities, the rate-limiting steps of the cathode are associated with the formation of adsorbed oxygen ions and the combination of oxygen ions and oxygen vacancies, while the rate-limiting steps of the anode are ascribed to the hydrogen dissociated adsorption and the steam desorption processes. This experimental and analysis framework can be straightforwardly extended to other electrode materials to unravel their electrochemical performance in detail.

25 ENERGY STORAGE↗
NASA NTRS1984

Programmable masks for optical information processing

Research in progress at NASA Ames Research Center on programmable masks is discussed in this paper. One type is a large area format liquid crystal mask intended for binary optical computation problems. To date, an on-off contrast ratio of 500:1 has been achieved at a switching rate of 1 Hz. With a 32 x 32 format, a ratio 10 to the 4th power:1 is desirable. The switching contrast is entirely dependent on the polarized quality; therefore, it is believed that 10 to the 4th power:1 in transmission is possible. Larger format masks are under development. An application to Hadamard transform polarized imagery at wavelengths of 1.0 to 2.0 micrometers, which is competitive with the best monolithic infrared detector arrays, is discussed.

Goebel, J. H.↗
DOE OSTI2017

CO 2 capture in ionic liquid 1-alkyl-3-methylimidazolium acetate: A concerted mechanism without carbene

Ionic liquids (ILs) provide a promising medium for CO 2 capture. Recently, the family of ILs comprising imidazolium-based cations and acetate anions, such as 1-ethyl-3-methylimidazolium acetate (EMI + OAc - ), has been found to react with CO 2 and form carboxylate compounds. N-Heterocyclic carbene (NHC) is widely assumed to be responsible by directly reacting with CO 2 though NHC has not been detected in these ILs. Herein, a computational analysis of CO 2 capture in EMI + OAc - is presented. Quantum chemistry calculations predict that NHC is unstable in a polar environment, suggesting that NHC is not formed in EMI + OAc - . Ab initio molecular dynamics simulations indicate that an EMI + ion “activated” by the approach of a CO 2 molecule can donate its acidic proton to a neighboring OAc - anion and form a carboxylate compound with the CO 2 molecule. Analysis of this termolecular process indicates that the EMI + -to-OAc - proton transfer and the formation of 1-ethyl-3-methylimidazolium-2-carboxylate occur essentially concurrently. Based on these findings, a novel concerted mechanism that does not involve NHC is proposed for CO 2 capture.

Yan, Fangyong↗
DOE OSTI2020

Resummation of QED radiative corrections in a strong constant crossed field

By considering radiative corrections of up to 3rd-loop order, Ritus and Narozhny conjectured that the proper expansion parameter for QED in a strong constant crossed field is $g=\alpha\chi^{2/3}$, where the dynamical quantum parameter $\chi=e\sqrt{-(Fp)^2}/m^3$ combines the particle momentum $p$ with the external field strength tensor $F$. Here we present and discuss the first non-perturbative result in this context, the resummed bubble-type polarization corrections to the electron self-energy in a constant crossed field. Our analysis confirms the relevance of the scaling parameter $g$ to the enhancement of bubble-type radiative corrections. This parameter actually represents the characteristic value of the ratio of the 1-loop polarization bubble to the photon virtuality. After an all-order resummation we identify and discuss two contributions to the self-energy with different formation regions and asymptotic behavior for $g\gg1$. Whereas the breakdown of perturbation theory occurs already for $g\gtrsim1$, the leading-order result remains dominant until the asymptotic regime $g\gg 1$ is reached. However, the latter is specific to processes like elastic scattering or photon emission and does not have to remain true for general higher-order QED processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

PAMTRA 1.0: the Passive and Active Microwave radiative TRAnsfer tool for simulating radiometer and radar measurements of the cloudy atmosphere

Forward models are a key tool to generate synthetic observations given knowledge of the atmospheric state. In this way, they are an integral part of inversion algorithms that aim to retrieve geophysical variables from observations or in data assimilation. Their application for the exploitation of the full information content of remote sensing observations becomes increasingly important when these are used to evaluate the performance of cloud-resolving models (CRMs). Herein, CRM profiles or fields provide the input to the forward model whose simulation results are subsequently compared to the observations. This paper introduces the freely available comprehensive microwave forward model PAMTRA (Passive and Active Microwave TRAnsfer), demonstrates its capabilities to simulate passive and active measurements across the microwave spectral region for upward- and downward-looking geometries, and illustrates how the forward simulations can be used to evaluate CRMs and to interpret measurements to improve our understanding of cloud processes. PAMTRA is unique as it treats passive and active radiative transfer (RT) in a consistent way with the passive forward model providing upwelling and downwelling polarized brightness temperatures and radiances for arbitrary observation angles. The active part is capable of simulating the full radar Doppler spectrum and its moments. PAMTRA is designed to be flexible with respect to instrument specifications and interfaces to many different formats of input and output, especially CRMs, spanning the range from bin-resolved microphysical output to one- and two-moment schemes, and to in situ measured hydrometeor properties. A specific highlight is the incorporation of the self-similar Rayleigh–Gans approximation (SSRGA) for both active and passive applications, which becomes especially important for the investigation of frozen hydrometeors.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1990

Magnetic field configuration of the theta aurora

A magnetic configuration of the open magnetosphere is described which is conducive to the formation of the theta aurora when the IMF has a significant northward component. A magnetic field topology and polar cap configuration, derived from a quantitative model of the open magnetosphere that incorporates Crooker's antiparallel merging hypothesis, are presented. Under this hypothesis, when the IMF has a northward component, the dayside merging line bifurcates, leaving a large fraction of the subsolar magnetopause untouched by the merging process. The polar cap, defined by tracing magnetic field lines that connect from the solar wind to the earth, is similarly bifurcated, leaving a sun-aligned stagnation region that is not magnetically connected to the solar wind and may plausibly be associated with the sun-aligned 'bar' of the theta aurora. The model provides testable predictions with regard to the position of this 'convection gap' in both Northern and Southern Hemispheres as functions of IMF direction.

Toffoletto, F. R.↗
DOE OSTI2019

Insights into Reactivity of Silicon Negative Electrodes: Analysis Using Isothermal Microcalorimetry

Silicon offers high theoretical capacity as a negative electrode material for lithium-ion batteries; however, high irreversible capacity upon initial cycling and poor cycle life have limited commercial adoption. Herein, we report an operando isothermal microcalorimetry (IMC) study of a model system containing lithium metal and silicon composite film electrodes during the first two cycles of (de)lithiation. The total heat flow data are analyzed in terms of polarization, entropic, and parasitic heat flow contributions to quantify and determine the onset of parasitic reactions. These parasitic reactions, which include solid–electrolyte interphase formation, contribute to electrochemical irreversibility. Cycle 1 lithiation demonstrates the highest thermal energy output at 1509 mWh/g, compared to cycle 1 delithiation and cycle 2. To complement the calorimetry, operando X-ray diffraction is used to track the phase evolution of silicon. During cycle 1 lithiation, crystalline Si undergoes transformation to amorphous lithiated silicon and ultimately to crystalline Li 15 Si 4 . The solid-state amorphization process is correlated to a decrease in entropic heat flow, suggesting that heat associated with the amorphization contributes significantly to the entropic heat flow term. In conclusion, this study effectively uses IMC to probe the parasitic reactions that occur during lithiation of a silicon electrode, demonstrating an approach that can be broadly applied to quantify parasitic reactions in other complex systems.

25 ENERGY STORAGE↗
DOE OSTI2025

Survey and Modeling of Windblown Ejecta Deposits on Venus

Venus' thick atmosphere rotates in the same direction as the solid body, but ∼60 times faster. This atmospheric superrotation has produced dozens of windblown ejecta deposits (“parabolas”) on the surface of Venus. The formation and modification of parabolas is an interplay between impacts, aeolian modification, and atmospheric dynamics. We conducted a survey to explore the nature of these sedimentary surface features. First, we observe trends in parabolas' morphology that shed light on how they are deposited and gradated. Changes in the size and radar albedo of parabolas are likely linked to the height and density (respectively) of ejecta plumes at time of formation. Next, we discovered that parabolas show orientations inconsistent with present atmospheric dynamics. This discrepancy may record a change in these dynamics or geologically recent true polar wander at a rate of ∼1° Myr −1 , which is similar to that observed on Earth over the past century. These results highlight how overlapping observations at different radar wavelengths provide important insights into the history and character of geologic processes on Venus. Overall, atmospheric superrotation has probably persisted for at least the age of Venus' surface.

Venus↗
DOE OSTI2025

Significance of the structural configuration of B2 disorder in Co and Ti based Heusler alloys

We investigate here structural (at local and global levels) and transport properties for 𝑋 2 ⁢MnAl (𝑋= Co and Ti). Additionally, the magnetic properties were also studied for Ti 2 ⁢MnAl. Our x-ray diffraction results show that both the compounds stabilize in B2 disordered phase with cubic structure of 𝑃⁢𝑚⁢$\overline{3}$⁢𝑚 space group. Further, the structural configuration of the above disordered phase for both the compounds was identified using combined studies of x-ray absorption spectroscopy and multiple scattering calculations at the transition metal 𝐾 edges. Upon such identification, in the case of Co 2 ⁢Mn 1−𝑦⁢ Cr 𝑦 ⁢Al (𝑦= 0, 0.05, 0.1, 0.2) with change in 𝑦, we are able to establish a better connection quantitatively between the inverse of Mn-Co bonds and peak in the temperature-dependent resistivity. This highlights the crucial importance of a detailed understanding of the nature of B2 disorder. In the case of 𝑦=0, in the temperature range of study, the resistivity is driven by the functional form associated with (a) three-dimensional enhanced electron-electron Coulomb interaction scattering mechanism and (b) an unconventional one-magnon process. For Ti 2 ⁢MnAl, the transport shows metallic glasslike behavior at high temperature, while at low temperature it follows both the Cote-Meisel's model and quantum correction model. In this compound, the magnetic studies suggest the formation of superparamagnetic clusters in the paramagnetic matrix at low temperatures. Our density functional theory results are in line with the transport and magnetic properties. In literature, the spin polarization percentage (𝑃) for 𝑋= Co in B2 disordered phase is 76%. However, the present results emphasize the fact that in B2 disordered phase, the value of 𝑃 can range from 90% to 71% depending on the structural configuration introduced by swapping of the atomic positions of Mn and Al. For the compound under study, the value of percentage spin polarization obtained ranges between 82% to 85%. In addition, we also identify the origin of the difference in the shape of the Mn 3⁢𝑑 density of states for both the alloys. In conclusion, our results for 𝑋= Co alloy highlights the importance of identifying the specific structural configuration associated with a particular disorder category especially in the estimation of 𝑇 𝑐 and 𝑃 and for 𝑋= Ti, the physical properties can be tuned by varying the position of 𝐸 𝐹 and thereby its utilization in device applications.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Ionospheric plasma outflow in response to transverse ion heating: Self-consistent macroscopic treatment

We examined the various likely processes for creating the cavities and found that the mirror force acting on the transversely heated ions is the most likely mechanism. The pondermotive force causing the wave collapse was found to be a much weaker force than the mirror force on the transversely heated ions observed inside the cavities along with the lower hybrid waves. Using a hydrodynamic model for the polar wind we modeled the cavity formation and found that for the heating rate obtained from the observed waves, the mirror force does create cavities with depletions as observed. Some initial results from this study were published in a recent Geophysical Research Letters and were reported in the Fall AGU meeting in San Francisco. We have continued this investigation using a large-scale semikinetic model.

Singh, N.↗
NASA NTRS1997

Oxidative Degradation of Nadic-End-Capped Polyimides: Evidence for Reactions Occurring at High Temperatures - 2

The oxidative degradation of PMR (for polymerization of monomeric reactants) polyimides at elevated temperatures was followed by cross-polarized magic angle spinning (Cp-MAS) NMR. C-13 labeling of selected sites in the polymers allowed for direct observation of the transformations arising from oxidation processes. As opposed to model compound studies, the reactions were followed directly in the polymer. The labeling experiments confirm the previously reported oxidation of the methylene carbon to ketone in the methylenedianiline portion of the polymer chain. They also show the formation of two other oxidized species, acid and ester, from this same carbon. In addition, the technique provides the first evidence of the kind of degradation reactions that are occurring in the nadic end caps. Several PMR formulations containing moieties determined to be present after oxidation, as suggested by the labeling study, were synthesized. Weight loss, FTIR, and natural abundance NMR of these derivatives were followed during aging. In this way, weight loss could be related to the observed transformations.

Meador, Mary Ann B.↗
DOE OSTI2021

Generation of Subauroral Longitudinally Extended Emissions Following Intensifications of the Poleward Boundary of the Substorm Bulge and Streamer Production

Observations showing the development of Subauroral Longitudinally Extended Emigerssions on a global scale are presented. It is demonstrated that they occur as a separation of an east-west arc-like band of luminosity that detaches away from the equatorward edge of the auroral distribution following episodes of auroral streamer production. They persist for time intervals on the order of ~30 min and devolve into patchy disjointed segments before they fade. Emissions are seen in both 557.7 nm OI and 391.4 nm N + 2 1NG lines, and 630.0 nm emissions are often observed equatorward. The 391.4 nm emissions are typically weaker and fade away more quickly than the 557.7 nm emissions, suggesting that an auroral precipitation source is initially present but is rapidly depleted as the forms age. All cases are associated with enhanced Subauroral Polarization Stream (SAPS) flows, and one event shows clear association with large-scale Giant Undulations (GUs) and the formation of spur-like forms that fold equatorward under the main oval. A model is proposed for the production of subauroral longitudinally extended forms in which nonlinear growth of SAPS-induced surface waves on the plasmapause results in a disruption of the boundary. It is suggested that hot plasma of plasma sheet origin becomes entrained in the plasmasphere to produce transient precipitation-associated auroral emissions that may decay into STEVE emissions and that cold dense plasma from the plasmasphere becomes entrained onto open drift paths to feed long-lived drainage plumes. This process may occur quasi periodically during intense substorms and storm-time conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

An Experimental Study on Low Pressure Frost Formation for Lunar Polar Water Capture

In-situ resource utilization (ISRU) is a vital component of NASA’s mission to the Moon and beyond, as the extraction of resources from the environment can reduce payload weight and the frequency of resupply missions. Since the discovery of water in the regolith of the permanently shadowed regions (PSR) of the Moon, its extraction and transport has become an area of increasing interest for NASA. One proposed method is heating icy regolith to free the water before desublimating and transporting it as ice in a tanker. However, little is known regarding the dynamics of frost growth at low pressures, and an understanding of the heat transfer process is required to properly size the heat exchanger for the tanker. To investigate this phenomenon, a cold plate was placed in a vacuum chamber with water vapor directed at its surface. The chamber pressure (300 and 500 Pa) and cold plate temperature (–18 to –5 °C) were kept below the triple point and varied throughout the experiment to examine their impact on frost layer heat transfer. As water flowed into the chamber and deposited on the cold plate surface, the heat flux and temperature were measured along with the frost layer thickness and/or mass. Density calculated at the conclusion of each test suggests the frost layer is denser than that of frost grown at atmospheric pressure. The results demonstrate unexpected density and heat transfer characteristics and require development of a new model of frost growth for lunar conditions.

In situ Resource Utiliztion↗
DOE OSTI2018

The Metal Effect on Self-Assembling of Oxalamide Gelators Explored by Mass Spectrometry and DFT Calculations

Gels formed by self-assembly of small organic molecules are of wide interest as dynamic soft materials with numerous possible applications, especially in terms of nanotechnology for functional and responsive biomaterials, biosensors, and nanowires. Four bis-oxalamides were chosen to show if electrospray ionization mass spectrometry (ESI-MS) could be used as a prediction of a good gelator and also to shed light on the gelation processes. By inspecting the gelation of several solvent, we showed that bis(amino acid)oxalamide 1 proved to be the most efficient, also being able of forming the largest observable assemblies in the gas phase. The formation of singly charged assemblies holding from one up to six monomer units is the outcome of the strong intermolecular H-bonds, particularly among terminal carboxyl groups. The variation of solvents from polar aprotic towards polar protic did not have any significant effects on the size of the assemblies. The addition of a salt such as NaOAc or Mg(OAc){sub 2}, depending on the concentration, altered the assembling. Computational analysis at the DFT level aided in the interpretation of the observed trends and revealed that individual gelator molecules spontaneously assemble to higher aggregates, but the presence of the Na{sup +} cation disrupts any gelator organization since it becomes significantly more favorable for gelator molecules to bind Na{sup +} cations up to the 3:1 ratio than to self-assemble, being fully in line with experimental observations reported here. .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Concentration-Polarization-Induced Precipitation and Ionic Current Oscillations with Tunable Frequency

At the nanoscale, charges present at the surfaces of liquid–solid interfaces greatly influence the properties of ions and molecules present in the solution, and can lead to nanoscale effects such as ion selectivity, ion current rectification, and modulation of local ionic concentrations. Concentration polarization is another nanoscale phenomenon whereby ion concentrations are enriched at one opening of an ion-selective nanopore and depleted at the other. We demonstrate that when a nanopore is in contact with a weakly soluble salt present at a concentration below its solubility product, concentration polarization can lead to locally enhanced ionic concentrations and precipitation of the salt. Formed precipitates partially or fully occlude the nanopore’s opening as indicated by a measured transient decrease of the nanopore’s conductance. We have confirmed experimental conditions at which the locally created precipitate is either pushed through or dissolved, clearing the pore entrance and allowing the precipitation reaction to occur again. The dynamic process of precipitate formation and dissolution is observed as ion current fluctuations and oscillations with frequencies reaching 200 Hz. The frequency of the system operation exceeds other nanopore-based oscillators by 2 orders of magnitude, which we believe stems from the 30 nm length of the pores examined here, versus ~10 μm long pores reported before.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Chemical state evolution in ferroelectric films during tip-induced polarization and electroresistive switching

Domain formation and ferroelectric switching is fundamentally inseparable from polarization screening, which on free surfaces can be realized via band bending and ionic adsorption. In the latter case, polarization switching is intrinsically coupled to the surface electrochemical phenomena, and the electrochemical stage can control kinetics and induce long-range interactions. However, despite extensive evidence towards the critical role of surface electrochemistry, little is known about the nature of the associated processes. Here we combine SPM tip induce polarization switching and secondary ion mass spectrometry to explore the evolution of chemical state of ferroelectric during switching. Surprisingly, we find that even pristine surfaces contain ions (e.g. Cl - ) that are not anticipated based on chemistry of the system and processing. In the ferroelectric switching regime, we find surprising changes in surface chemistry, including redistribution of base cations. Finally, at higher voltages in the electroforming regime significant surface deformation was observed and associated with a strong ion intermixing.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Excited-State Electronic Properties in Zr-Based Metal–Organic Frameworks as a Function of a Topological Network

Molecular assemblies in metal-organic frameworks (MOFs) are reminiscent of natural light-harvesting (LH) systems and considered as emerging materials for energy conversion. Such applications require understanding the correlation between their excited-state properties and underlying topological net. Two chemically identical but topologically different tetraphenylpyrene (1,3,6,8-tetrakis(p-benzoicacid)pyrene; H4TBAPy)-based ZrIV MOFs, NU-901 (scu) and NU-1000 (csq), are chosen to computationally and spectroscopically interrogate the impact of topological difference on their excited-state electronic structures. Time-dependent density functional theory-computed transition density matrices for selected model compounds reveal that the optically relevant S1, S2, and Sn states are delocalized over more than four TBAPy linkers with a maximum exciton size of ~1.7 nm (i.e., two neighboring TBAPy linkers). Computational data further suggests the evolution of polar excitons (hole and electron residing in two different linkers); their oscillator strengths vary with the extent of interchromophoric interaction depending on their topological network. Femtosecond transient absorption (fs-TA) spectroscopic data of NU-901 highlight instantaneous spectral evolution of an intense S1 -> Sn transition at 750 nm, which diminishes with the emergence of a broad (580-1100 nm) induced absorption originating from a fast excimer formation. Although these ultrafast spectroscopic data reveal the first direct spectral observation of fast excimer formation (t = 2 ps) in MOFs, the fs-TA features seen in NU-901 are clearly absent in NU-1000 and the free H4TBAPy linker. Furthermore, transient and steady-state fluorescence data collected as a function of solvent dielectrics reveal that the emissive states in both MOF samples are electronically nonpolar; however, low-lying polar excited states may get involved in the excited-state decay processes in polar solvents. The present work shows that the topological arrangement of the linkers critically controls the excited-state electronic structures.

36 MATERIALS SCIENCE↗