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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Radial migration of preplanetary material - Implications for the accretion time scale problem

Radial drift of planetesimals due to density wave interaction with the solar nebula is considered. The mechanism is most effective for large masses and provides mobility over a size range where aerodynamic drag is unimportant. The process could shorten accretion time scales to O(100,000-1,000,000 years) throughout the solar system. Accumulation stalls down when growing objects are massive enough to open gaps in the gas disk. Implications of this process for current cosmogonic models are discussed.

Hourigan, K.↗
DOE OSTI2020

A Mixed Length Scale Model for Migrating Fluvial Bedforms

With the expansion of hydropower, in-stream converters, flood-protection infrastructures, and growing concerns on deltas fragile ecosystems, there is a pressing need to evaluate and monitor bedform sediment mass flux. It is critical to estimate real-time bedform size and migration velocity and provide a theoretical framework to convert easily accessible time histories of bed elevations into spatially evolving patterns. In this study, we collected spatiotemporally resolved bathymetries from laboratory flumes and the Colorado River in statistically steady, homogeneous, subcritical flow conditions. Wave number and frequency spectra of bed elevations show compelling evidence of scale-dependent velocity for the hierarchy of migrating bedforms observed in the laboratory and field. New scaling laws were applied to describe the full range of migration velocities as function of two dimensionless groups based on the bed shear velocity, sediment diameter, and water depth. Further simplification resulted in a mixed length scale model estimating scale-dependent migration velocities, without requiring bedform classification or identification.

58 GEOSCIENCES↗
NASA NTRS2012

Ozone-Temperature Diurnal and Longer Term Correlations, in the Lower Thermosphere, Mesosphere and Stratosphere, Based on Measurements from SABER on TIMED

The analysis of mutual ozone-temperature variations can provide useful information on their interdependencies relative to the photochemistry and dynamics governing their behavior. Previous studies have mostly been based on satellite measurements taken at a fixed local time in the stratosphere and lower mesosphere. For these data, it is shown that the zonal mean ozone amounts and temperatures in the lower stratosphere are mostly positively correlated, while they are mostly negatively correlated in the upper stratosphere and in the lower mesosphere. The negative correlation, due to the dependence of photochemical reaction rates on temperature, indicates that ozone photochemistry is more important than dynamics in determining the ozone amounts. In this study, we provide new results by extending the analysis to include diurnal variations over 24 hrs of local time, and to larger spatial regimes, to include the upper mesosphere and lower thermosphere (MLT). The results are based on measurements by the SABER instrument on the TIMED satellite. For mean variations (i.e., averages over local time and longitude) in the MLT, our results show that there is a sharp reversal in the correlation near 80 km altitude, above which the ozone mixing ratio and temperature are mostly positively correlated, while they are mostly negatively correlated below 80 km. This is consistent with the view that above -80 km, effects due to dynamics are more important compared to photochemistry. For diurnal variations, both the ozone and temperature show phase progressions in local time, as a function of altitude and latitude. For temperature, the phase progression is as expected, as they represent migrating tides. For day time ozone, we also find regular phase progression in local time over the whole altitude range of our analysis, 25 to 105 km, at least for low latitudes. This was not previously known, although phase progressions had been noted by us and by others at lower altitudes. For diurnal variations, we find that between about 40 and 65 km, the ozone amounts and temperatures are mostly negatively correlated or neutral, while below approx. 40 km they are mostly positively correlated or neutral. The correlations are less systematic and less robust than for correlations of the mean. At altitudes above approx.65 km, the correlations are more complex, and depend on the tidal temperature variations. For the diurnal case, consideration needs to be given to transport by thermal tides and to the efficacy of response times of ozone concentrations and temperature to each other.

Huang, Frank T.↗
NASA NTRS2006

Multistage Electrophoretic Separators

A multistage electrophoresis apparatus has been invented for use in the separation of cells, protein molecules, and other particles and solutes in concentrated aqueous solutions and suspensions. The design exploits free electrophoresis but overcomes the deficiencies of prior free-electrophoretic separators by incorporating a combination of published advances in mathematical modeling of convection, sedimentation, electro-osmotic flow, and the sedimentation and aggregation of droplets. In comparison with other electrophoretic separators, these apparatuses are easier to use and are better suited to separation in relatively large quantities characterized in the art as preparative (in contradistinction to smaller quantities characterized in the art as analytical). In a multistage electrophoretic separator according to the invention, an applied vertical steady electric field draws the electrically charged particles of interest from within a cuvette to within a collection cavity that has been moved into position of the cuvette. There are multiple collection cavities arranged in a circle; each is aligned with the cuvette for a prescribed short time. The multistage, short-migration-path character of the invention solves, possibly for the first time, the fluid-instability problems associated with free electrophoresis. The figure shows a prototype multistage electrophoretic separator that includes four sample stations and five collection stages per sample. At each sample station, an aqueous solution or suspension containing charged species to be separated is loaded into a cuvette, which is machined into a top plate. The apparatus includes a lower plate, into which 20 collection cavities have been milled. Each cavity is filled with an electrophoresis buffer solution. For the collection of an electrophoretic fraction, the lower plate is rotated to move a designated collection cavity into alignment with the opening of the cuvette. An electric field is then applied between a non-gassing electrode in the collection cavity and an electrolyte compartment, which is separated from the cuvette by a semipermeable membrane. The electrolyte is refreshed by circulation by use of a peristaltic pump. In subsequent steps, the lower plate is rotated to collect other electrophoretic fractions. Later, the collected fractions are removed from the collection cavities through ports that have threaded plugs. The base of the apparatus contains power supplies and a computer interface. The design includes provisions for monitoring and feedback control of cavity position, electric field, and temperature. The operation of the apparatus can easily be automated, as demonstrated by use of software that has already been written for this purpose.

Thomas, Nathan↗
DOE OSTI2019

A Python Package for Fuel Cycle and Waste Management Analysis - 19545

The future of nuclear power utilization in the United States may involve a transition from the once-through light water reactor fuel cycle to a so-called advanced fuel cycle. An advanced fuel cycle may offer improvements in natural resource utilization, reactor safety, and environmental impact. In addition, adoption of an advanced fuel cycle will result in changes in the amount, composition, and disposal of the nuclear wastes they produce. Characteristics intrinsic to the wastes themselves, such as mass and radioactivity at specific times, were used as waste management metrics in the Department of Energy 2014 Fuel Cycle Evaluation and Screening (FCES) study. Binning of these metrics informed fuel cycle according to relative potential benefit. However, waste properties alone cannot qualify management strategy. Therefore, comparing fuel cycles from the perspective of waste management can provide additional insights. To that end, an object-oriented Python package has been developed to perform fuel cycle waste management calculations. The package, named nwpy (short for Nuclear Waste analysis in Python), mimics the mass flow operations reported in the FCES study and interfaces with the ORIGEN-S code to assess metric data as reported in the FCES. In addition, this Python package determines the loading of waste streams into forms suitable for final disposal in a geological repository and uses such data for repository performance assessment. This work describes the Python package methodology, assumptions, and capabilities. As input data, the package requires information about the fuel cycle such as the mass of fuel discharged, the cooling time between reactor discharge and subsequent operations, and the separations process efficiencies and waste forms it produces. In addition, the isotopic composition of the reactor discharge stream, such as that available from the FCES database, is required. With that, it can perform prescribed mass flow and decay operations throughout the back end of the fuel cycle, the latter carried out by the ORIGEN-S code distributed with the SCALE6.2 software suite. The result is time-dependent data characterizing the waste on a per-package basis. Package loading for waste streams depends on the stream form (i.e. UNF vs. HLW, or glass HLW from aqueous reprocessing vs. ceramic HLW from electrochemical processing) and is based on literature review and engineering assumption. As an example of the application of the code, calculations for the areal footprint of direct-contact repositories for different fuel cycles is shown. Development is ongoing, and the package is expected to grow incorporating capabilities for waste management analyses such as waste transportation and radionuclide transport through the biosphere. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Floating zone crystal growth, structure, and properties of a cubic Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 garnet-type lithium-ion conductor

As a promising candidate for solid-state electrolytes in Li-ion batteries, the garnet-type Li-ion conductor series Li 5+x La 3 Nb 2-x Zr x O 12 (LLNZO) (0 ≤ x ≤ 2) exhibits high ionic conductivity at room temperature. However, no previous single-crystal growth or characterization has been reported for LLNZO compositions 0 ≤ x ≤ 1. To obtain a complete understanding of the trend in the structure–property relationship in this class of materials, we used the floating zone (FZ) method to grow a single crystal of Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 that was 4 mm in diameter and 10 mm in length. Using Laue neutron single-crystal diffraction, two distinct Li sites were observed: tetrahedral 24d and octahedral 96h sites. The maximum entropy method (MEM) based on neutron single-crystal diffraction data was used to map Li nuclear density and estimate that the bottleneck of Li transport exists between neighboring tetrahedral and octahedral sites, and that Li is delocalized between split octahedral sites. Room-temperature Li-ion conductivity in Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 measured with electrochemical impedance spectroscopy (EIS) was 1.37 × 10 -4 S cm -1 . The Li migration activation energy was estimated to be 0.50 eV from EIS and 0.47 eV from dielectric relaxation measurements. The Li-ion jump attempt rate was estimated to be 1.47 × 10 12 Hz while the time scale of successful migration is 10 -7 to 10 -6 s.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Feasibility Assessment of Long-Term Electrical Resistivity Monitoring of a Nitrate Plume

Long-term monitoring solutions at contaminated sites are necessary to track plume migration and evaluate the performance of remediation efforts. Electrical resistivity imaging (ERI) can potentially provide information about plume dynamics; however, the feasibility and likelihood of success is seldom evaluated before conducting a field study. Coupling flow and transport models with geoelectrical models provides a powerful way to assess the potential effectiveness of an actual ERI field campaign. in this paper, we present a coupled approach for evaluating the feasibility of monitoring nitrate migration and remediation using 4D time-lapse ERI at a legacy nuclear waste facility. This kilometer-scale study focuses on depths below the water table (~70 m). A flow and transport model is developed to perform simulations of nitrate migration and removal via a hypothetical pump-and-treat system. A tracer injection is also simulated at the leading edge of the nitrate plume to enhance the conductivity contrast between the native subsurface and the groundwater fluids. Images of bulk conductivity provide limited information concerning plume migration while time-lapse difference images, which remove the static effects of geology, provide more useful information concerning plume dynamics over time. A spatial moment analysis performed on flow and transport and ERI models matches well during the tracer injection; however, inversion regularization smoothing otherwise limits the value in terms of locating the center of mass. We find that the addition of a tracer enables ERI to characterize plume dynamics during pump-and-treat operations, and late-time ERI monitoring provides a conservative estimate of nitrate plume boundaries in this synthetic study.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Time-resolved molecular dynamics of single and double hydrogen migration in ethanol

Being the lightest, most mobile atom that exists, hydrogen plays an important role in the chemistry of hydrocarbons, proteins and peptides and most biomolecules. Hydrogen can undergo transfer, exchange and migration processes, having considerable impact on the chemical behavior of these molecules. Although much has been learned about reaction dynamics involving one hydrogen atom, less is known about those processes where two or more hydrogen atoms participate. Here we show that single and double hydrogen migrations occurring in ethanol cations and dications take place within a few hundred fs to ps, using a 3D imaging and laser pump-probe technique. For double hydrogen migration, the hydrogens are not correlated, with the second hydrogen migration promoting the breakup of the C–O bond. The probability of double hydrogen migration is quite significant, suggesting that double hydrogen migration plays a more important role than generally assumed. The conclusions are supported by state-of-the-art molecular dynamics calculations.

08 HYDROGEN↗
DOE OSTI2021

Unraveling transition-metal-mediated stability of spinel oxide via in situ neutron scattering

The energy materials performance is intrinsically determined by structures from the average lattice structure to the atom arrangement, valence, and distribution of the containing transition metal (TM) elements. Understanding the mechanism of the structure transition and atom rearrangement via synthesis or processing is key to expediting the exploration of excellent energy materials. In this work, in situ neutron scattering is employed to reveal the real-time structure evolution, including the TM-O bonds, lattice, TM valence and the migration of the high-voltage spinel cathode LiNi 0.5 Mn 1.5 O 4 . The transition-metal-mediated spinel destabilization under the annealing at the oxygen-deficient atmosphere is pinpointed. Additionally, the formation of Mn 3+ is correlated to the TM migration activation, TM disordered rearrangement in the spinel, and the transition to a layered-rocksalt phase. The further TM interdiffusion and Mn 2+ reduction are also revealed with multi-stage thermodynamics and kinetics. The mechanisms of phase transition and atom migrations as functions of temperature, time and atmosphere present important guidance on the synthesis in various-valence element containing oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Protein arginine methyltransferase 1 coordinates the epithelial-mesenchymal transition/proliferation dichotomy in gastric cancer cells

Protein arginine methyltransferase 1 (PRMT1) is up-regulated and promotes migration, invasion and proliferation in wide range of cancers. However, we for the first time identify that PRMT1 promotes migration and invasion and inhibits proliferation in gastric cancer cells, a phenomenon called “migration-proliferation dichotomy”. First, we find that PRMT1 overexpression promotes migration and invasion and inhibits proliferation, whereas PRMT1 knockdown reverses the above abilities. Next, PRMT1 reduces the expression of epithelial marker E-cadherin and increases the expression of mesenchymal markers including N-cadherin, Vimentin, snail and β-catenin in gastric cancer cells. Furthermore, our studies show that PRMT1 silencing promotes the phosphorylation of LATS1, and then induces YAP phosphorylation, while overexpression of PRMT1 down-regulates the phosphorylation of LATS1 and YAP, indicating that PRMT1 inhibits EMT probably via Hippo signaling. Collectively, the present study reveals important roles of PRMT1 in progression of gastric cancer. Given the dual functions of PRMT1, it is as a potential drug target of gastric cancer with extreme caution.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Facile synthesis and phase stability of Cu-based Na 2 Cu(SO 4 ) 2 · x H 2 O ( x = 0–2) sulfate minerals as conversion type battery electrodes

Mineral exploration forms a key approach for unveiling functional battery electrode materials. The synthetic preparation of naturally found minerals and their derivatives can aid in designing of new electrodes. Herein, saranchinaite Na 2 Cu(SO 4 ) 2 and its hydrated derivative kröhnkite Na 2 Cu(SO 4 ) 2 ·2H 2 O bisulfate minerals have been prepared using a facile spray drying route for the first time. The phase stability relation during the (de)hydration process was examined synergising in situ X-ray diffraction and thermochemical studies. Kröhnkite forms the thermodynamically stable phase as the hydration of saranchinaite to kröhnkite is highly exothermic (-51.51 ± 0.63 kJ mol -1 ). Structurally, kröhnkite offers a facile 2D pathway for Na+ ion migration resulting in 20 times higher total conductivity than saranchinaite at 60 °C. Both compounds exhibited a conversion redox mechanism for Li-ion storage with the first discharge capacity exceeding 650 mA h g -1 (at 2 mA g -1 vs. Li + /Li) upon discharge up to 0.05 V. Post-mortem analysis revealed that the presence of metallic Cu in the discharged state is responsible for high irreversibility during galvanostatic cycling. This study reaffirms the exploration of Cu-based polyanionic sulfates, which while having limited (de)insertion properties, can be harnessed for conversion-based electrode materials for batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Transparent process migration: Design alternatives and the Sprite implementation

The Sprite operating system allows executing processes to be moved between hosts at any time. We use this process migration mechanism to offload work onto idle machines, and also to evict migrated processes when idle workstations are reclaimed by their owners. Sprite's migration mechanism provides a high degree of transparency both for migrated processes and for users. Idle machines are identified, and eviction is invoked, automatically by daemon processes. On Sprite it takes up to a few hundred milliseconds on SPARCstation 1 workstations to perform a remote exec, while evictions typically occur in a few seconds. The pmake program uses remote invocation to invoke tasks concurrently. Compilations commonly obtain speedup factors in the range of three to six; they are limited primarily by contention for centralized resources such as file servers. CPU-bound tasks such as simulations can make more effective use of idle hosts, obtaining as much as eight-fold speedup over a period of hours. Process migration has been in regular service for over two years.

Douglis, Fred↗
DOE OSTI2026

Generation of random geological models using multi-randomization for machine learning

Generating high-fidelity geological models is essential for advancing machine learning (ML) methods in automated seismic interpretation. For instance, seismic images paired with corresponding fault labels are foundational for ML-based fault detection from seismic migration sections. While several open-access datasets of random geological models exist, open-source tools specifically designed to produce large volumes of such models for ML applications remain scarce. To address this gap, we present RGM (Random Geological Model), an open-source software package for efficiently generating 2D and 3D synthetic geological models tailored for ML workflows. RGM supports the creation of diverse model components, including medium property distributions (P-/S-wave velocities and density), seismic reflectivity images (i.e., synthetic migration sections), relative geological time, and discrete fault attributes such as probability, dip, strike, rake, and displacement. It also accommodates the creation of complex geological features such as salt bodies and unconformities. The model generation algorithm employs a multi-randomization strategy, yielding an effectively infinite-dimensional model space that encompasses a wide range of geological scenarios and associated seismic features. Furthermore, RGM incorporates a method to generate synthetic elastic migration images using analytical elastic reflection coefficients combined with frequency-dependent scaling. This functionality enables the creation of training datasets for ML models that leverage elastic seismic images. RGM is implemented in modern object-oriented Fortran, allowing users to flexibly control statistical parameters governing model variability. We demonstrate the capability, performance, and geological realism of the package through comprehensive 2D and 3D examples.

58 GEOSCIENCES↗
NASA NTRS2006

Cosmic Ray Mantle Visibility on Kuiper Belt Objects

Optically red objects constitute the dynamically cold, old component of the Classical Kuiper Belt (40 - 47 AU) with heliocentric orbits of low eccentricity and inclination. The red colors likely arise from primordial mixed ices processed by irradiation to meters in surface depth over the past four billion years, since the time of giant planet migration and Kuiper Belt stirring, at relatively moderate dosages of 60 gigarads provided by galactic cosmic ray protons and heavier ions. The red cosmic ray mantle is uniformly visible on the cold classical objects beneath a minimally thin eroded layer of more neutrally colored material arising from cumulative effects of heliospheric particle irradiation. The radiation fluxes are lowest in the middle heliospheric region containing the Classical Kuiper Belt and increase from there both towards and away from the Sun. Despite increasing irradiation at various times of solar system history from increases in solar and interstellar ion fluxes, the red object region has apparently never reached sufficiently high dosage levels to neutralize in color the red mantle material. Erosion processes, including plasma sputtering and micrometeroid impacts, act continuously to reduce thickness of the upper neutral crust and expose the cosmic ray mantle. A deeper layer at tens of meters and more may consist of relatively unprocessed ices that can erupt to the surface by larger impacts or cryovolcanism and account for brighter surfaces of larger objects such as 2003 UB313. Surface colors among the Kuiper Belt and other icy objects of the outer solar system are then a function, assuming uniform primordial composition, of relative thickness for the three layers and of the resurfacing age dependent on the orbital and impact history of each object.

Cooper, John F.↗
DOE OSTI2021

Unraveling the hysteretic behavior at double cations-double halides perovskite - electrode interfaces

Despite over a decade of research on metal halide perovskites (MHPs) in the context of photovoltaic applications, understanding the nature of electronic and ionic processes associated with current-voltage (I-V) hysteretic behavior has been limited. Here, we explore the hysteretic behavior in (FAPbI 3 ) 0.85 (MAPbBr 3 ) 0.15 perovskite devices with lateral Cr electrodes by applying first order reversal curve (FORC) bias waveform in I-V, Kelvin probe force microscopy (KPFM) measurements, and in-situ chemical imaging by time-resolved time-of-flight secondary ion mass spectrometry (tr-ToF-SIMS). In dark, we reveal pronounced hysteretic behaviors of charge dynamics in the off-field by probing time-dependent current and contact potential difference (CPD). Under illumination, transient and hysteretic behaviors are significantly reduced. The tr-ToF-SIMS results reveal that the hysteretic behaviors are strongly associated with accumulation of Br- ions at the interfaces. In addition, the low mobility MA + ions result in transient behavior and contribute to the hysteretic phenomena. It was shown that Pb 2+ ions can be reduced at the interfaces due to electrochemical reactions with the electrode in the presence of charge injection and photogenerated charges. Furthermore, these hysteretic behaviors associated with charge dynamics, ion migration, and interfacial electrochemical reaction are critical to further improve the performance and stability of MHPs photovoltaics and optoelectronics.

42 ENGINEERING↗
DOE OSTI2020

Distributed Temperature Sensing (DTS) to Monitor CO 2 Migration in an Enhanced Oil Recovery Field in Northern Michigan

The Midwest Regional Carbon Sequestration Partnership (MRCSP) was founded in 2003 as part of the U.S. Department of Energy’s (DOE’s) Regional Carbon Sequestration Partnership initiative. Since its founding, MRCSP has made significant strides toward making CCUS a viable option for states in the region. The public/private consortium, funded through the DOE Regional Carbon Sequestration Initiative, brings together nearly 40 industry partners and 10 states. Battelle, as the project lead, oversees research, development and operations and coordinates activities among the partners. The incremental, phased approach has built a valuable knowledge base for the industry and paved the way for commercial-scale adoption of CCUS technologies. From 2008 to 2020, MRCSP Phase III focused on the development of large-scale injection projects. This report is part of a series of reports prepared under the Midwestern Regional Carbon Sequestration Partnership (MRCSP) Phase III (Development Phase). These reports summarize and detail the findings of the work conducted under the Phase III project. MRCSP conducted analysis of CO 2 flow patterns using distributed temperature sensing (DTS) data acquired from the Chester 16 pinnacle reef located in Otsego County, Michigan. The reef has one injection well Chester 6-16 and one monitoring well Chester 8-16 where DTS is installed. DTS provides a means to track temperature within the wellbores in real time and characterize the migration patterns of CO 2 in the subsurface when DTS data is combined with other operational data such as the injection rates, bottomhole pressures and temperature. The primary objective of this study was to determine the distribution of CO 2 inflow zones in the A1 Carbonate and Brown Niagaran formations.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Mechanisms of Alkali Ionic Transport in Amorphous Oxyhalides Solid State Conductors

Amorphous oxyhalides have attracted significant attention due to their relatively high ionic conductivity (1 mS cm –1 ), excellent chemical stability, mechanical softness, and facile synthesis routes via standard solid‐state reactions. These materials exhibit an ionic conductivity that is almost independent of the underlying chemistry, in stark contrast to what occurs in crystalline conductors. In this work, we employ machine learning interatomic potentials to construct large‐scale molecular dynamics trajectories encompassing hundreds of nanoseconds to obtain statistically converged transport properties. We find that the amorphous state consists of chain fragments of metal‐anion tetrahedra of various lengths. By analyzing the residence time of alkali cations migrating around tetrahedrally‐coordinated metals, we find that oxygen anions limit alkali diffusion. By computing the full Einstein expression of the ionic conductivity, we demonstrate that the alkali transference number of these materials is strongly influenced by distinct‐particles correlations, while alkali transport is dictated by uncorrelated self‐diffusion. By extending this analysis to chemical compositions AMX 2.5 O 0.75 , spanning different alkaline (A = Li, Na, K), metallic (M = Al, Ga, In), and halogen (X = Cl, Br, I) species, we clarify why the diffusion properties of these materials remain largely insensitive to variations in atomic isovalent chemistry.

amorphous materials↗