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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Studying the Molecular Mechanisms of Interaction of Nanoaerosol Particles with a Model Membrane

An X-ray study of the interaction of Langmuir monolayers with nanoparticles under the conditions when nanoparticles arrive at the monolayer from the side of the air medium has been performed for the first time. Measurements by the X-ray standing-wave method and two-dimensional diffraction have made it possible to investigate the transport of nanoaerosol particles through a lipid monolayer and observe the structural changes occurring in it. Nanoaerosol particles were formed by electrohydrodynamic sputtering of desalted solutions of ferritin. It was shown that nanoaerosol particles pass through the monolayer without disrupting the two-dimensional packing of lipid molecules. The ferritin molecules penetrating the aqueous subphase after sputtering are found to be adsorbed under the monolayer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

On the origin of vorticity in magnetic particle suspensions subjected to triaxial fields

We have recently reported that two classes of time-dependent triaxial magnetic fields can induce vorticity in magnetic particle suspensions. The first class – symmetry-breaking fields – is comprised of two ac components and one dc component. The second class – rational triad fields – is comprised of three ac components. In both cases deterministic vorticity occurs when the ratios of the field frequencies form rational numbers. A strange aspect of these fields is that they produce fluid vorticity without generally having a circulating field vector, such as would occur in a rotating field. It has been shown, however, that the symmetry of the field trajectory, considered jointly with that of the converse field, allows vorticity to occur around one particular field axis. This axis might be any of the field components, and is determined by the relative frequencies of the field components. However, the symmetry theories give absolutely no insight into why vorticity should occur. In this paper we propose a particle-based model of vorticity in these driven fluids. This model proposes that particles form volatile chains that follow, but lag behind, the dynamic field vector. Furthermore, this model is consistent with the predictions of symmetry theory and gives reasonable agreement with previously reported torque density measurements for a variety of triaxial fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1972

Testing of models of VVH particle sources and propagation

For comparisons between theoretical and observed charge spectra of the VVH particles to be meaningful, at least two conditions must be met. First, charge resolution must be adequate to separate important groups of nuclei, and there should be no significant systematic errors in the charge scale developed. Second, there must be adequate rejection of slower particles of smaller Z, which have been observed in several flights. Within these conditions, it has been shown that observed features of the charge spectrum are not accidents of the analysis but reflect real variations in the relative abundances that must be explained by any successful model.

Blanford, G. E., Jr.↗
NASA NTRS1974

Testing of models of VVH particle sources and propagation

For comparisons between theoretical and observed charge spectra of VVH particles to be meaningful, at least two conditions must be met. First, charge resolution must be adequate to separate important groups of nuclei, and there should be no significant systematic errors in the charge scale developed. Second, there must be adequate rejection of slower particles of smaller Z, which have been observed in several flights. Within these conditions, it has been shown that observed features of the charge spectrum are not accidents of the analysis but reflect real variations in the relative abundances that must be explained by any successful model.

Blanford, G. E., Jr.↗
DOE OSTI2017

Comprehensive Model of Single Particle Pulverized Coal Combustion Extended to Oxy-Coal Conditions

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive CFD simulations are valuable tools in evaluating and deploying oxy-fuel and other carbon capture technologies either as retrofit technologies or for new construction. But, accurate predictive simulations require physically realistic submodels with low computational requirements. In particular, comprehensive char oxidation and gasification models have been developed that describe multiple reaction and diffusion processes. Our work extends a comprehensive char conversion code (CCK), which treats surface oxidation and gasification reactions as well as processes such as film diffusion, pore diffusion, ash encapsulation, and annealing. In this work several submodels in the CCK code were updated with more realistic physics or otherwise extended to function in oxy-coal conditions. Improved submodels include the annealing model, the swelling model, the mode of burning parameter, and the kinetic model, as well as the addition of the chemical percolation devolatilization (CPD) model. We compare our results of the char combustion model to oxy-coal data, and further compared to parallel data sets near conventional conditions. A potential method to apply the detailed code in CFD work is given.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2016

THE IBEX RIBBON AND THE PICKUP ION RING STABILITY IN THE OUTER HELIOSHEATH. II. MONTE-CARLO AND PARTICLE-IN-CELL MODEL RESULTS

The nearly circular ribbon of energetic neutral atom (ENA) emission discovered by NASA’s Interplanetary Boundary EXplorer satellite ( IBEX ), is most commonly attributed to the effect of charge exchange of secondary pickup ions (PUIs) gyrating about the magnetic field in the outer heliosheath (OHS) and the interstellar space beyond. The first paper in the series (Paper I) presented a theoretical analysis of the pickup process in the OHS and hybrid-kinetic simulations, revealing that the kinetic properties of freshly injected proton rings depend sensitively on the details of their velocity distribution. It was demonstrated that only rings that are not too narrow (parallel thermal spread above a few km s{sup −1}) and not too wide (parallel temperature smaller than the core plasma temperature) could remain stable for a period of time long enough to generate ribbon ENAs. This paper investigates the role of electron dynamics and the extra spatial degree of freedom in the ring ion scattering process with the help of two-dimensional full particle-in-cell (PIC) kinetic simulations. A good agreement is observed between ring evolution under unstable conditions in hybrid and PIC models, and the dominant modes are found to propagate parallel to the magnetic field. We also present more realistic ribbon PUI distributions generated using Monte Carlo simulations of atomic hydrogen in the global heliosphere and examine the effect of both the cold ring-like and the hot “halo” PUIs produced from heliosheath ENAs on the ring stability. It is shown that the second PUI population enhances the fluctuation growth rate, leading to faster isotropization of the solar-wind-derived ring ions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Modeling Induction Stirring and Particle Tracking in Molten Uranium

Two independent numerical models have been developed to simulate the behavior of carbon impurities in molten uranium metal. Informed by experimental parameters, one model was created using the commercial software Star-CCM+ and compared with another developed using open-source codes, including OpenFOAM, Finite Element Method Magnetics (FEMM) and a First Passage Kinetic Monte Carlo (FPKMC) approach. The target experimental system features a 404g uranium metal charge containing an average carbon concentration of 139 ppm which was melted in a vacuum induction furnace at 1400° C then resolidified. The microstructures of the uranium and its impurities before and after melting have been characterized and reported separately. Prior to simulating the uranium-carbon system described, the numerical models were validated using a previously published nonradioactive experimental system to ensure agreement with expected output values. Focus has been placed on modeling velocity fields under induction stirring and impurity particle trajectories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

A Comparison of ARTEMIS Observations and Particle-in-cell Modeling of the Lunar Photoelectron Sheath in the Terrestrial Magnetotail

As an airless body in space with no global magnetic field, the Moon is exposed to both solar ultraviolet radiation and ambient plasmas. Photoemission from solar UV radiation and collection of ambient plasma are typically opposing charging currents and simple charging current balance predicts that the lunar dayside surface should charge positively; however, the two ARTEMIS probes have observed energydependent loss cones and high-energy, surface-originating electron beams above the dayside lunar surface for extended periods in the magnetosphere, which are indicative of negative surface potentials. In this paper, we compare observations by the ARTEMIS P1 spacecraft with a one dimensional particle-in-cell simulation and show that the energy-dependent loss cones and electron beams are due to the presence of stable, non-monotonic, negative potentials above the lunar surface. The simulations also show that while the magnitude of the non-monotonic potential is mainly driven by the incoming electron temperature, the incoming ion temperature can alter this magnitude, especially for periods in the plasma sheet when the ion temperature is more than twenty times the electron temperature. Finally, we note several other plasma phenomena associated with these non-monotonic potentials, such as broadband electrostatic noise and electron cyclotron harmonic emissions, and offer possible generation mechanisms for these phenomena.

Lunar↗
DOE OSTI2023

PARFUME/BISON Fission Product Release Predictions versus AGR-3/4 Heating Test Measurements

The fuel performance modeling codes PARFUME (PARticle FUel ModEl) and BISON were used to predict the release of fission products silver, cesium, and strontium from as-irradiated fuel compacts containing tristructural isotropic (TRISO) coated particles during heating tests post irradiation. The AGR-3/4 fuel compacts were irradiated as part of the third and fourth series of planned experiments to support the Advanced Gas Reactor (AGR) program. The heating tests were conducted at temperatures between 1200°C and 1700°C to simulate reactor accident conditions. The measured fission product release fractions from the heating tests were compared to modeling predictions calculated by PARFUME and BISON to evaluate how the codes compare to experimental results. Comparisons between the experimental measured fission product release fractions from silver, cesium and strontium indicate that both modeling codes overpredict the fission product release fractions demonstrating that the diffusivities used in the codes are overestimated. This results in a conservative estimate predicted by the codes when evaluating the fission product release relative to experimental data as it pertains to silver, cesium, and strontium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

A Simple Hydride Model for Cerium Ejecta Particles

Cerium ejecta particles form after a shock wave impacts a cerium plate with a known roughness or prescribed surface perturbation. When these particles are ejected into hydrogen or deuterium gas the material reacts exothermically and raises the temperature of the particle relative to the gas. A simple model is developed, assuming that the particle remains intact and spherical, to capture the heat and mass transfer that occurs during this process. Model performance is evaluated by comparing with cerium ejecta experiments where the particles are ejected into deuterium gas at initial pressures of 4 and 8 atm. Overall, the model is able to capture the approximately 400 K increase in particle temperature above the surrounding gas temperature.

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

A simple hydride model for cerium ejecta particles

Cerium ejecta particles form after a shock wave impacts a cerium plate with a known roughness or prescribed surface perturbation. When these particles are ejected into hydrogen or deuterium gas the material reacts exothermically and raises the temperature of the particle relative to the gas. A simple model is developed, assuming that the particle remains intact and spherical, to capture the heat and mass transfer that occurs during this process. Model performance is evaluated by comparing with cerium ejecta experiments where the particles are ejected into deuterium gas at initial pressures of 4 and 8 atm. Overall, the model is able to capture the approximately 400 K increase in particle temperature above the surrounding gas temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A simple hydride model for cerium ejecta particles

Cerium ejecta particles form after a shock wave impacts a cerium plate with a known roughness or prescribed surface perturbation. When these particles are ejected into hydrogen or deuterium gas the material reacts exothermically and raises the temperature of the particle relative to the gas. A simple model is developed, assuming that the particle remains intact and spherical, to capture the heat and mass transfer that occurs during this process. Model performance is evaluated by comparing with cerium ejecta experiments where the particles are ejected into deuterium gas at initial pressures of 4 and 8 atm. Overall, the model is able to capture the approximately 400 K increase in particle temperature above the surrounding gas temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Coherent Neutrino-Nucleus Scattering: A Tool to Search for New Physics

The Neutrino is a well-understood particle in the models of particle physics. Even so, it is electrically neutral, and has a very small mass. As such, it’s interaction probability is extremely small. Detecting neutrinos has always been a challenge for particle physics. Over 40 years ago, Daniel Freedman predicted a new type of interaction that neutrinos could undergo that would be much more frequent. This has since been called Coherent Elastic Neutrino Nucleus Scattering (CEvNS). While this process occurred more frequently than the traditionally used interaction process (called inverse beta decay) it was more challenging to detect. Interestingly, though, if you could detect the CEvNS process, you would be sensitive to many new studies of fundamental particle physics. A researcher may also be able to use this process to study neutrinos in more applied settings, for instance by more easily monitoring the neutrinos given off during the nuclear reaction processes in nuclear reactors. The aim of this project was to observe coherent neutrino scattering for the first time, and begin to use it as a tool both to study new types of physics models, and to study the feasibility of this concept for applied situations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Modeling Novel Aqueous Particle and Cloud Chemistry Processes of Biomass Burning Phenols and Their Potential to Form Secondary Organic Aerosols

Phenols emitted from biomass burning contribute significantly to secondary organic aerosol (SOA) formation through the partitioning of semivolatile products formed from gas-phase chemistry and multiphase chemistry in aerosol liquid water and clouds. The aqueous-phase SOA (aqSOA) formed via hydroxyl radical (˙OH), singlet molecular oxygen ( 1 O 2 *), and triplet excited states of organic compounds ( 3 C*), which oxidize dissolved phenols in the aqueous phase, might play a significant role in the evolution of organic aerosol (OA). However, a quantitative and predictive understanding of aqSOA has been challenging. Here, we develop a stand-alone box model to investigate the formation of SOA from gas-phase ˙OH chemistry and aqSOA formed by the dissolution of phenols followed by their aqueous-phase reactions with ˙OH, 1 O 2 *, and 3 C* in cloud droplets and aerosol liquid water. Here, we investigate four phenolic compounds, i.e., phenol, guaiacol, syringol, and guaiacyl acetone (GA), which represent some of the key potential sources of aqSOA from biomass burning in clouds. For the same initial precursor organic gas that dissolves in aerosol/cloud liquid water and subsequently reacts with aqueous phase oxidants, we predict that the aqSOA formation potential (defined as aqSOA formed per unit dissolved organic gas concentration) of these phenols is higher than that of isoprene-epoxydiol (IEPOX), a well-known aqSOA precursor. Cloud droplets can dissolve a broader range of soluble phenols compared to aqueous aerosols, since the liquid water contents of aerosols are orders of magnitude smaller than cloud droplets. Further, our simulations suggest that highly soluble and reactive multifunctional phenols like GA would predominantly undergo cloud chemistry within cloud layers, while gas-phase chemistry is likely to be more important for less soluble phenols. But in the absence of clouds, the condensation of low-volatility products from gas-phase oxidation followed by their reversible partitioning to organic aerosols dominates SOA formation, while the SOA formed through aqueous aerosol chemistry increases with relative humidity (RH), approaching 40% of the sum of gas and aqueous aerosol chemistry at 95% RH for GA. Our model developments of biomass-burning phenols and their aqueous chemistry can be readily implemented in regional and global atmospheric chemistry models to investigate the aqueous aerosol and cloud chemistry of biomass-burning organic gases in the atmosphere.

09 BIOMASS FUELS↗
DOE OSTI2019

Modeling inter-particle magnetic correlations in magnetite nanoparticle assemblies using x-ray magnetic scattering data

Magnetic nanoparticles are increasingly used in nanotechnologies and biomedical applications, such as drug targeting, MRI, bio-separation. Magnetite (Fe 3 O 4 ) nanoparticles stand to be effective in these roles due to the non-toxic nature of magnetite and its ease of manufacture. To be more effective in these applications, a greater understanding of the magnetic behavior of a collection of magnetite nanoparticles is needed. This research seeks to discover the local magnetic ordering of ensembles of magnetite nanoparticles occurring under various external fields. To complete this study, we use x-ray resonant magnetic scattering (XRMS). Here we discuss the modeling of the magnetic scattering data using a one-dimensional chain of nanoparticles with a mix of ferromagnetic, anti-ferromagnetic, and random orders. By fitting the model to the experimental data, we extracted information about the magnetic correlations in the nanoparticle assembly.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Reduced Sediment Settling in Turbulent Flows Due To Basset History and Virtual Mass Effects

The behavior of suspended particles in turbulent flows is a recalcitrant problem spanning wide-ranging fields including geomorphology, hydrology, and dispersion of particulate matter in the atmosphere. One key mechanism underlying particle suspension is the difference between particle settling velocity (w s ) in turbulence and its still water counterpart (w so ). This difference is explored here for a range of particle-to-fluid densities (1 – 10) and particle diameter to Kolmogorov micro-eddy sizes (0.1 – 10). Conventional models of particle fluxes that equate w s to w so result in eddy diffusivities and turbulent Schmidt numbers contradictory to laboratory experiments. Incorporating virtual mass and Basset history forces resolves these inconsistencies, providing clarity as to why w s /w so is sub-unity for the aforementioned conditions. The proposed formulation can be imminently used to model particle settling in turbulence, especially when sediment distribution outcomes over extended time scales far surpassing turbulence time scales are sought.

Geology↗
NASA NTRS2016

HST-STIS Spectra of Saturn's Rings and Implications for Their Reddening Agent

We obtained HST-STIS spectra of Saturn's main rings in May 2011, using the G230L (and G430L) gratings, with final averaged radial resolution of 160 (and 330) km/pixel. The dataset filled a previous 200-330nm "spectral gap" between Cassini and ground-based spectra. The data provide radial profiles as a function of wavelength, but our most basic product at this point is a set of very low-noise spectra, radially averaged over broad regions of the rings (A, B, C, and Cassini Division). The raw spectra required special processing to remove artifacts due to extended-source grating scatter. We have modeled the spectra using a new particle surface model, which corrects for on-surface shadowing due to the likely very rough ring particle surfaces, and avoids overestimation of intra-mixed "neutral absorber". We correct for non-classical layer effects and finite ring optical depth, and relate our observed reflectivities to the spherical albedos of individual smooth particles. We model these smooth particle albedos using standard Hapke theory for regolith grain mixtures that are either homogeneous and "intramixed" (nonicy absorbers dispersed in water ice regolith grains) or heterogeneous "intimate" mixtures. As candidates for the nonicy contaminants we have considered amorphous carbon, aromatic-rich and aliphatic-rich organic tholins, silicates, hematite and iron metal. For the A and B rings, we find that iron metal (including a new theoretical estimate of the refractive indices of nanometer-sized grains of iron) is not spectrally steep enough in the 200-300nm range, and that aliphatic-rich tholins are either too steep at short wavelengths or too flat at long wavelengths. However, less than 1% by mass of aromatic-rich tholins provides a very good fit across the entire spectral range with no gratuitous "neutral absorber" needed, and a minimum of additional free parameters. The best fits require forward-scattering regolith grains. For the C Ring and Cassini Division, additional absorbers are needed (updated results will be given).

Saturn's Rings↗