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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

NASA Technology Evaluation for Environmental Risk Mitigation Remediation Technology Collaboration Development

NASA is committed to finding solutions to agency cleanup problems that are better, cheaper, and more effective than the status quo. Unfortunately, some potential solutions involve innovative technologies for which NASA remediation managers may not have a high level of understanding or confidence. Since 2004, NASA's Stennis Space Center (SSC) in Mississippi has been pumping groundwater contaminated with trichloroethylene (TCE) and other halogenated volatile organic compounds (HVOC) from their cleanup location designated "Area G" through extraction wells to an aboveground treatment system. Over time, however, the effectiveness of this treatment strategy has diminished and an alternative approach is needed. In 2012, professionals from NASA's Principal Center for Technology Evaluation for Environmental Risk Mitigation (TEERM) introduced SSC managers to an innovative technology for enhancing the performance of SSC's existing pump and treat system. The technology, generally referred to as in situ chemical oxidation (ISCO), involves slowly and continuously injecting a strong but safe chemical oxidant into the groundwater. Treatment is enhanced by a "surfactant-type effect" which causes residual contamination from saturated soil to be released into the dissolved-phase where it can be readily oxidized. Any dissolved-phase contamination that was not oxidized can be collected by the extraction well network and treated aboveground. SSC was not familiar with the technology so to increase their confidence, TEERM identified a contractor who was willing to demonstrate their product and process at a significantly reduced price. An initial, small-scale demonstration of ISCO began at sse in March 2012 and completed in August 2012. This successful demonstration was followed by three larger-scale ISCO demonstrations between August and December 2012. The contractor's innovative Continuous Injection System (CIS) incorporated "green" and sustainable technologies and practices. A slow injection rate was maintained autonomously by the CIS, eliminating the need for multiple mobilizations of personnel and powered equipment. The CIS was calibrated to deliver only as much reagent as the formation would accept without "short circuiting", minimizing material waste. Public utility water pressure was used to mix, dilute, and inject the reagent. NASA personnel were trained to operate and maintain the system and remote monitoring and injection control capabilities were developed, further reducing the need for contractor mobilizations to the site. An integrated solar photovoltaic panel was used to power the control valves and web monitoring telemetry. SSC provided hydrogen peroxide for the process using their existing supplier for the aboveground pump and treat systems. The only consumable required from the contractor was their proprietary activator to catalyze SSC's peroxide.

Romeo, James↗
DOE OSTI2022

Modifying magnetic properties of MnBi with carbon: an experimental and theoretical study

MnBi and MnBi-based materials have been investigated as prospective rare-earth-free permanent magnets with moderate energy product. One of the main issues with MnBi synthesis is the presence of residual Bi in the sample which reduces the net magnetization. Here, we have found that MnBi synthesized in the presence of carbon substantially reduces the amount of residual Bi, improving its saturation magnetization. We have synthesized Mn 55 Bi 45 and Mn 55 Bi 45 C x samples using arc melting and high-vacuum annealing. The room temperature x-ray diffraction patterns indicate that both Mn 55 Bi 45 and Mn 55 Bi 45 C x crystallize in the hexagonal NiAs-type structure. The Rietveld analysis of the x-ray patterns shows that the amount of residual Bi reduces from 16 wt.% for Mn 55 Bi 45 to 5 wt.% for Mn 55 Bi 45 C x . The high-field (3 T) magnetizations measured at room temperature are 61 emu g –1 and 66 emu g –1 for Mn 55 Bi 45 and Mn 55 Bi 45 C x , respectively. To understand the role of C in enhancing the magnetization of MnBi, we carried out the first-principles calculations of both stoichiometric and nonstoichiometric MnBi alloys, which suggests that the increase of magnetization in Mn 55 Bi 45 C x may be due to the coating of MnBi grains with C.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Linear and Nonlinear Solvers for Simulating Multiphase Flow within Large-Scale Engineered Subsurface Systems

Simulation of multiphase flow in the subsurface is well-known to be computationally challenging. While there have been many studies that have explored approaches to overcoming these challenges, they often utilize relatively simple case studies. In this paper, we focus on the unique numerical challenges posed by modeling large-scale engineered subsurface systems, characterized by discrete features embedded in a heterogeneous natural subsurface setting. The man-made features such as shafts, tunnels, and barriers often cause multiple challenges in modeling the domain for multiphase porous media flow. This flow scenario can have a wide range of applications such as nuclear waste repositories, enhanced recovery of a petroleum reservoir, geothermal engineering, and carbon sequestration. An example of these severe numerical challenges is the case of performance assessment (PA) for Waste Isolation Pilot Plant (WIPP), the only operating deep geological repository in the US, which simulates extreme material properties of bedded salt rock formation and extreme contrast due to open excavation next to the formation. The models have extremes not only of permeability and porosity but also of the constitutive models needed for multiphase flow; additionally, they have process models like salt creep closure reducing porosity over time, fracturing in clay and anhydrite interbeds of the bedded salt, gas generation from the waste materials, and unintentional human borehole intrusions in some scenarios. Numerical simulations require the solution of coupled systems of nonlinear PDEs; in our work, we use the open-source simulator PFLOTRAN which is based on Finite Volume discretization. The solution of the nonlinear equations requires use of the Newton-Raphson iteration at each time step, which entails the solution of the linearized Jacobian system at each iteration. The effects of all the processes (i.e., large number of unknowns, highly nonlinear constitutive relations, large contrasts in material properties in short distances) lead to an ill-conditioned Jacobian matrix that severely challenges traditional linear solver, i.e., stabilized biconjugate gradient with block Jacobi incomplete LU preconditioner (BCGS-ILU) leading to non-convergence for traditional Newton-Raphson nonlinear solver causing unacceptably long computation time for each model. This paper presents linear solvers such as constrained pressure residual (CPR) two-stage preconditioner with alternate-block-factorization (ABF) and quasi- implicit pressure and explicit saturation (QIMPES) decouplers and flexible generalized residual solver (FGMRES). The new general-purpose nonlinear solver, Newton trust-region dogleg Cauchy (NTRDC), is also introduced to resolve extreme nonlinearities in the models. We demonstrate the effectiveness of each method relative to the default BCGS-Newton solver. The two best cases had nearly 50 times speed-up and achieved completion of a simulation in 14 hours that never completed due to non-convergence with the default solver. We also investigate the strong scalability of each method and discuss some of the deficiencies found for Block Jacobi preconditioner using parallel domain decomposition, and node packing effects of modern processor architecture.

Preconditioner, Nonlinear, Porous media, Multiphas↗
NASA NTRS1993

Partitioning in REE-saturating minerals - Theory, experiment, and modelling of whitlockite, apatite, and evolution of lunar residual magmas

Compositions, including REEs determined by ion microprobe, of apatite and whitlockite in lunar rock assemblages rich in incompatible trace elements, are presented. Concentrations of REEs in lunar whitlockites are high, ranging from about 1.2 to 2.1 REEs (lanthanides + Y) per 56 oxygens. This slightly exceeds the level of two REE atoms per 56 oxygens at which the dominant substitution theoretically becomes saturated. This saturation effect leads to whitlockite REE(3+) D values at typical lunar whitlockite REE concentrations which are 30-40 percent lower than the D values at low concentrations. The halogen-to-phosphorous ratio in lunar melts is a key factor determining the REE distribution with crystalline assemblages. As long as P and REE concentrations of melts are in KREEP-like proportions, one or both of the phosphates will saturate in melts at similar REE concentrations.

Jolliff, Bradley L.↗
DOE OSTI2021

Recovering Density Fields inside Quasar Proximity Zones at z ~ 6

The matter density field at z ~ 6 is very challenging to probe. One of the traditional probes of the low density intergalactic medium that works successfully at lower redshifts is the Lyα forest in quasar spectra. However, at the end of reionization, the residual neutral hydrogen usually creates saturated absorption, thus much of the information about the gas density is lost. Luckily, in a quasar proximity zone, the ionizing radiation is exceptionally intense, thus creating a large region with nonzero transmitted flux. In this study we use the synthetic spectra from simulations to investigate how to recover the density fluctuations inside the quasar proximity zones. We show that, under ideal conditions, the density can be recovered accurately with a small scatter. We also discuss how systematics such as the quasar continuum fitting and reionization models affect the results. This study shows that by analyzing the absorption features inside quasar proximity zones we can potentially constrain quasar properties and the environments they reside in.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1997

Scattered light in the STIS echelle modes

The Space Telescope Imaging Spectrograph (STIS) echelle spectra obtained during the Early Release Observations have non-zero residuals in the cores of saturated interstellar lines, indicating the need for a scattered light correction. A rough measure of the magnitude of the needed correction shows the ratio of the interorder to the in-order flux in different echelle modes in both pre-launch calibration images of a continuum lamp source and in post-launch images of stellar continuum sources. The interorder and in-order fluxes are computed by averaging the central 200 pixels in the dispersion direction. The amount of scattered light in the interorder region rises toward shorter wavelengths for two reasons: (1) the order separation decreases toward shorter wavelengths; and (2) the amount of echelle scattering is expected to have an inverse dependence on wavelength. At the shortest wavelengths the fraction of light scattered into the interorder region can be 10% for the Near-ultraviolet-Multi-Anode Microchannel Array (NUV-MAMA) and 15% for the Far-ultraviolet-Multi-Anode Microchannel Array (FUV-MAMA).

Landsman, W.↗
NASA NTRS2013

Saturns Thermal Emission at 2.2-cm Wavelength as Imaged by the Cassini RADAR Radiometer

We present well-calibrated, high-resolution maps of Saturn's thermal emission at 2.2-cm wavelength obtained by the Cassini RADAR radiometer through the Prime and Equinox Cassini missions, a period covering approximately 6 years. The absolute brightness temperature calibration of 2% achieved is more than twice better than for all previous microwave observations reported for Saturn, and the spatial resolution and sensitivity achieved each represent nearly an order of magnitude improvement. The brightness temperature of Saturn in the microwave region depends on the distribution of ammonia, which our radiative transfer modeling shows is the only significant source of absorption in Saturn's atmosphere at 2.2-cm wavelength. At this wavelength the thermal emission comes from just below and within the ammonia cloud-forming region, and yields information about atmospheric circulations and ammonia cloud-forming processes. The maps are presented as residuals compared to a fully saturated model atmosphere in hydrostatic equilibrium. Bright regions in these maps are readily interpreted as due to depletion of ammonia vapor in, and, for very bright regions, below the ammonia saturation region. Features seen include the following: a narrow equatorial band near full saturation surrounded by bands out to about 10deg planetographic latitude that demonstrate highly variable ammonia depletion in longitude; narrow bands of depletion at -35deg latitude; occasional large oval features with depleted ammonia around -45deg latitude; and the 2010-2011 storm, with extensive saturated and depleted areas as it stretched halfway around the planet in the northern hemisphere. Comparison of the maps over time indicates a high degree of stability outside a few latitudes that contain active regions.

composition↗
NASA NTRS2013

Analysis of Saturn's Thermal Emission at 2.2-cm Wavelength: Spatial Distribution of Ammonia Vapor

This work focuses on determining the latitudinal structure of ammonia vapor in Saturn's cloud layer near 1.5 bars using the brightness temperature maps derived from the Cassini RADAR (Elachi et al., 2004) instrument, which works in a passive mode to measure thermal emission from Saturn at 2.2-cm wavelength. We perform an analysis of five brightness temperature maps that span epochs from 2005 to 2011, which are presented in a companion paper by Janssen et al. (2013a, this issue). The brightness temperature maps are representative of the spatial distribution of ammonia vapor, since ammonia gas is the only effective opacity source in Saturn's atmosphere at 2.2-cm wavelength. Relatively high brightness temperatures indicate relatively low ammonia relative humidity (RH), and vice versa. We compare the observed brightness temperatures to brightness temperatures computed using the Juno atmospheric microwave radiative transfer (JAMRT) program which includes both the means to calculate a tropospheric atmosphere model for Saturn and the means to carry out radiative transfer calculations at microwave frequencies. The reference atmosphere to which we compare has a 3x solar deep mixing ratio of ammonia (we use 1.352x10(exp -4) for the solar mixing ratio of ammonia vapor relative to H2; see Atreya, 2010) and is fully saturated above its cloud base. The maps are comprised of residual brightness temperatures-observed brightness temperature minus the model brightness temperature of the saturated atmosphere.

Atmospheres↗
DOE OSTI2021

Measuring the residual stress and stress-corrosion cracking susceptibility of additively manufactured 316L by ASTM G36-94

Residual stress is a contributor to stress-corrosion cracking (SCC) and a common byproduct of additive manufacturing (AM). In this work, the relationship between residual stress and SCC susceptibility in laser powder bed fusion AM 316L stainless steel was studied through immersion in saturated boiling magnesium chloride per ASTM G36-94. The residual stress was varied by changing the sample height for the as-built condition and additionally by heat treatments at 600, 800, and 1200 °C to control, and in some cases reduce, residual stress. In general, all samples in the as-built condition showed susceptibility to SCC with the thinner, lower residual stress samples showing shallower cracks and crack propagation occurring perpendicular to melt tracks due to local residual stress fields. The heat-treated samples showed a reduction in residual stress for the 800 and 1200 °C samples. Both were free of cracks after >300 hours of immersion in MgCl 2 , while the 600 °C sample showed similar cracking to their as-built counterpart. Geometrically necessary dislocation (GND) density analysis indicates that the dislocation density may play a major role in the SCC susceptibility.

36 MATERIALS SCIENCE↗
NASA NTRS1971

Magnetic materials selection for static inverter and converter transformers

Different magnetic alloys best suited for high-frequency and high-efficiency applications were comparatively investigated together with an investigation of each alloy's inherent characteristics. One of the characteristics in magnetic materials deterimental in transformer design is the residual flux density, which can be additive on turn-on and cause the transformer to saturate. Investigation of this problem led to the design of a transformer with a very low residual flux. Tests were performed to determine the dc and ac magnetic properties at 2400 Hz using square-wave excitation. These tests were performed on uncut cores, which were then cut for comparison of the gapped and ungapped magnetic properties. The optimum transformer was found to be that with the lowest residual flux and a small amount of air gap in the magnetic material. The data obtained from these tests are described, and the potential uses for the materials are discussed.

Mclyman, C. W. T.↗
NASA NTRS2004

Petrogenesis of Mare Basalts, Mg-Rich Suites and SNC Parent Magmas

The successful models for the internal evolution of the Moon must consider the volume, distribution, timing, composition and, ultimately, the petrogenesis of mare basaltic volcanism. Indeed, given the paucity of geophysical data, the internal state of the Moon in the past can be gleaned only be unraveling the petrogenesis of the various igneous products on the Moon and, particularly, the mare basalts. most useful in constraining the depth and composition of their source region [Delano, 1980] despite having undergone a certain degree of shallow level olivine crystallization.The bulk of the lunar volcanic glass suite can be modeled as the partial melting products of an olivine + orthopyroxene source region deep within the lunar mantle. Ti02 contents vary from 0.2 wt % -1 7.0wt [Shearer and Papike, 1993]. Values that extreme would seem to require a Ti- bearing phase such as ilmenite in the source of the high-Ti (but not in the VLT source) because a source region of primitive LMO olivine and orthopyroxene, even when melted in small degrees cannot account for the observed range of Ti02 compositions. The picritic glasses are undersaturated with respect to ilmenite at all pressures investigated therefore ilmenite must have been consumed during melting, leaving an ilmenite free residue and an undersaturated melt [Delano, 1980, Longhi, 1992, Elkins et al, 2000 among others]. Multi- saturation pressures for the glasses potentially represent the last depths at which the liquids equilibrated with a harzburgite residue before ascending to the surface. These occur at great depths within the lunar mantle. Because the liquids have suffered some amount of crystal fractionation, this is at best a minimum depth. If the melts are mixtures, then it is only an average depth of melting. Multisaturation, nevertheless, is still a strong constraint on source mineralogy, revealing that the generation of the lunar basalts was dominated by melting of olivine and orthopyroxene.

Hess, Paul C.↗
DOE OSTI2020

A general mechanism for gel layer formation on borosilicate glass under aqueous corrosion

Mineral and glass dissolution is a scientific topic deeply investigated but incompletely understood and of a great interest for the geochemical and materials science communities. If the interfacial dissolution/reprecipitation mechanism seems to be applicable to most of silicate minerals, the debate remains open concerning glass. Here we studied two model glasses, a ternary borosilicate (CJ1) and the same glass doped with 4.1 mol% of Al2O3 (CJ2). The two glasses were altered at 90°C, pH 9, and in conditions far and close to saturation with respect to amorphous silica, to determine the initial and residual rates. Moreover, a specific experiment was conducted for a short duration with a solution highly enriched with 18O and 29Si isotopes to understand how passivating gels form. SEM, TEM and ToF-SIMS characterization, along with Monte Carlo simulations were used to understand the rate limiting reactions at play and infer the role of Al. We show that Al yields a slower matrix dissolution in dilute conditions. However, it slows down he formation and the maturation of the passivating gel and favors alteration by partial hydrolysis of Si and Al entities followed by in-situ reorganization/relaxation into a porous network. Unexpectedly, CJ1 experienced both interfacial dissolution/reprecipitation and partial hydrolysis followed by in situ reorganization of the silicate network during the course of a single experiment. This study offers a unified concept that can pave the way for the future development of a predictive kinetic model based on a detailed description of bond breaking and bond forming as a function of glass composition and alteration conditions.

Gin, Stephane↗
DOE OSTI2023

A Highly Ordered Nitroxide Side Chain for Distance Mapping and Monitoring Slow Structural Fluctuations in Proteins

Abstract Site-directed spin labeling electron paramagnetic resonance (SDSL-EPR) is an established tool for exploring protein structure and dynamics. Although nitroxide side chains attached to a single cysteine via a disulfide linkage are commonly employed in SDSL-EPR, their internal flexibility complicates applications to monitor slow internal motions in proteins and to structure determination by distance mapping. Moreover, the labile disulfide linkage prohibits the use of reducing agents often needed for protein stability. To enable the application of SDSL-EPR to the measurement of slow internal dynamics, new spin labels with hindered internal motion are desired. Here, we introduce a highly ordered nitroxide side chain, designated R9, attached at a single cysteine residue via a non-reducible thioether linkage. The reaction to introduce R9 is highly selective for solvent-exposed cysteine residues. Structures of R9 at two helical sites in T4 Lysozyme were determined by X-ray crystallography and the mobility in helical sequences was characterized by EPR spectral lineshape analysis, Saturation Transfer EPR, and Saturation Recovery EPR. In addition, interspin distance measurements between pairs of R9 residues are reported. Collectively, all data indicate that R9 will be useful for monitoring slow internal structural fluctuations, and applications to distance mapping via dipolar spectroscopy and relaxation enhancement methods are anticipated.

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

Informing field-scale CO 2 storage simulations with sandbox experiments: The effect of small-scale heterogeneities

Small-scale heterogeneities can significantly affect the fate of the CO 2 plume and trapping during CO 2 migration. We conducted geologic carbon storage field-scale simulations to investigate the impact of small-scale heterogeneities on plume dynamics and trapping performance. Small-scale heterogeneities have been shown to increase the amount of trapped CO 2 during buoyancy-driven flow. The trapped CO 2 saturation is validated by previous sandbox experimental work during buoyancy-driven flow in realistic heterogeneous domains and is implemented through the critical CO 2 saturation parameter (i.e., the first non-zero value in the drainage CO 2 relative permeability curve). Depending on the type and degree of heterogeneity, various critical CO 2 saturation values are exhibited. Furthermore, we investigated the effect of small-scale heterogeneities when multiple capillary pressure models are employed. This study demonstrates that an increase in critical CO 2 saturation reduces the CO 2 plume size and lateral extent, accompanying an increase in residual trapping and a decrease in solubility trapping. Lastly, we show that independent of the capillary pressure model used, an increase in critical saturation leads to similar CO 2 plume dynamics distribution and trapping performance. These results emphasize the importance of quantifying the effect of small-scale heterogeneity as they affect the large-scale behavior of the CO 2 plume.

58 GEOSCIENCES↗
DOE OSTI2021

BETO 2021 Peer Review - CAP Process Research

Combined Algal Processing (CAP) is an algae biorefining approach that employs pretreatment and extraction operations to fractionate algal biomass into an organic liquid phase containing lipids, an aqueous hydrolysate phase containing carbohydrates and protein, and a residual solid phase containing insoluble matter. Each of these fractions is upgraded to fuels and/or co-products, including non-isocyanate polyurethanes from unsaturated lipids, fuels from saturated lipids, fuel precursor carboxylic acids from the hydrolysate, and conductive carbons from the solid residue. Techno-economic analysis of multiple CAP configurations suggests that some configurations have a viable pathway to algal biofuels at $2.50/gallon of gasoline equivalent.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1986

Failure-accommodating control of large flexible spacecraft

This paper considers the problem of designing failure-accommodating controllers for large flexible spacecraft when there are sector-type nonlinearities in the loops. It is proved that an LQG-type controller can be made failure tolerant by inserting appropriate gains in the actuator paths and state estimator residual paths. For the state feedback case, when the actuators are saturating type, it is proved that there exists a finite region of attraction, which is invariant in the presence of these gains. Another class of controllers, which employs collocated sensors and actuators is presented, and is shown to have excellent failure-accommodation properties in addition to its robustness properties.

Joshi, S. M.↗
DOE OSTI2023

Impacts of Different Operation Conditions and Geological Formation Characteristics on CO2 Sequestration in Citronelle Dome, Alabama

Major concerns of carbon dioxide (CO2) sequestration in subsurface formations are knowledge of the well injectivity and gas storage capacity of the formation, the CO2 pressure and saturation plume extensions during and after injection, and the risks associated with CO2 leakage and fault reactivation. Saline reservoirs are considered as one of the target formations for CO2 sequestration through structural, residual, dissolution, and mineral trapping mechanisms. The boundary condition of the saline reservoir dictates the pressure and saturation plume extension of the injected supercritical CO2 that could expand over large distances. This can lead to sources of risk, e.g., leakage and/or fault reactivation due to presence of wells, thief zones, and geological discontinuities. Therefore, there is a critical need to develop a model that describes how risk-related performance metrics (i.e., the CO2 saturation plume size, the pressure differential plume area, and the pressure differential at specific locations) vary as a function of the size of injection, time following injection, injection operations, and geologic environment. In this study, a systematic reservoir modeling studies of anthropogenic CO2 sequestration in Citronelle dome, Alabama, was performed where all relevant scenarios and conditions to address the questions of the saturation and pressure plume size in the area of review (AoR) and post-injection site care (PISC) are considered. The objective for this study was firstly to systematically simulate CO2 sequestration, i.e., saturation dynamics, and pressure behavior over a range of operational and geological conditions and to derive conclusions about the factors influencing saturation and pressure plume size, post-injection behavior, and the risk associated with them, by developing third-generation reduced order models (ROMs) for reservoir behavior. Finally, to assess the uncertainty associated with our studies, Latin Hypercube Sampling (LHS) together with an experimental design technique, i.e., Plackett–Burman design, was used. Application of Pareto charts and respond surfaces enabled us to determine the most important parameters impacting saturation and pressure plume sizes and to quantify the auto- and cross-correlation among different parameters in both history-matched and upscaled models.

58 GEOSCIENCES↗