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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Data-Driven Specification of Earth's Magnetic Field

As our society is increasingly dependent on technologies in space, predicting space weather becomes ever more important. We have come to rely on technologies such as cellphones, GPS, the Internet, and other commercial and military assets. In order to protect these systems a high priority is to develop better understanding of the harmful conditions of space weather encountered in the near-Earth radiation environment which are mostly dictated by the dynamics of energetic charged particles. The main objective of our proposal was to improve the specification and forecast of the particle distribution in the Earth’s inner magnetosphere using data assimilation together with machine learning (ML) algorithms in our ring current-atmosphere interactions model with self-consistent magnetic and electric fields (RAM-SCBE). Specifically, we explored the application of machine learning algorithms to emulate and improve, through infusion of observational data, the magnetic field (SCBE) of our ring current model. Our work advanced towards the characterization of the RAM-SCBE particle flux field and its potentially different simulation scenarios. We explored how the model behaves in a number of simulation scenarios in order to better understand how the model reacts to perturbations in the solar wind. We were able to capture this behavior through the simulation of an ensemble of RAM-SCB model solutions. The ensemble showed the important correlations between the particle fluxes and the magnetic field. We were able to start the training of a neural network (Autoencoder) to identify the dominant features of the magnetic field, and the main correlations (linear and non-linear) between the particle fluxes and the magnetic field. Our next steps consists of training a neural network to capture the time evolution of the dominant features and obtain a consistent surrogate model for the RAM-SCB.

42 ENGINEERING↗
DOE OSTI2023

The CeBrA demonstrator for particle-γ coincidence experiments at the FSU Super-Enge Split-Pole Spectrograph

We report on a highly selective experimental setup for particle-γ coincidence experiments at the Super-Enge Split-Pole Spectrograph (SE-SPS) of the John D. Fox Superconducting Linear Accelerator Laboratory at Florida State University (FSU) using fast CeBr scintillators for γ-ray detection. Specifically, we report on the results of characterization tests for the first five CeBr 3 scintillation detectors of the CeBr 3 Array (CeBrA) with respect to energy resolution and timing characteristics. We also present results from the first particle-γ coincidence experiments successfully performed with the CeBrA demonstrator and the FSU SE-SPS. We show that with the new setup, γ-decay branching ratios and particle-γ angular correlations can be measured very selectively using narrow excitation energy gates, which are possible thanks to the excellent particle energy resolution of the SE-SPS. In addition, we highlight that nuclear level lifetimes in the nanoseconds regime can be determined by measuring the time difference between particle detection with the SE-SPS focal-plane scintillator and γ-ray detection with the fast CeBrA detectors. As a result, selective excitation energy gates with the SE-SPS exclude any feeding contributions to these lifetimes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2005

Formation of Nanophase Iron in Lunar Soil Simulant for Use in ISRU Studies

For the prospective return of humans to the Moon and the extensive amount of premonitory studies necessary, large quantities of lunar soil simulants are required, for a myriad of purposes from construction/engineering purposes all the way to medical testing of its effects from ingestion by humans. And there is only a limited and precious quantity of lunar soil available on Earth (i.e., Apollo soils) - therefore, the immediate need for lunar soil simulants. Since the Apollo era, there have been several simulants; of these JSC-1 (Johnson Space Center) and MLS-1 (Minnesota Lunar Simulant) have been the most widely used. JSC-1 was produced from glassy volcanic tuff in order to approximate lunar soil geotechnical properties; whereas, MLS-1 approximates the chemistry of Apollo 11 high-Ti soil, 10084. Stocks of both simulants are depleted, but JSC-1 has recently gone back into production. The lunar soil simulant workshop, held at Marshall Space Flight Center in January 2005, identified the need to make new simulants for the special properties of lunar soil, such as nanophase iron (np-Fe(sup 0). Hill et al. (2005, this volume) showed the important role of microscale Fe(sup 0) in microwave processing of the lunar soil simulants JSC-1 and MLS-1. Lunar soil is formed by space weathering of lunar rocks (e.g., micrometeorite impact, cosmic particle bombardment). Glass generated during micrometeorite impact cements rock and mineral fragments together to form aggregates called agglutinates, and also produces vapor that is deposited and coats soil grains. Taylor et al. (2001) showed that the relative amount of impact glass in lunar soil increases with decreasing grain size and is the most abundant component in lunar dust (less than 20 micrometer fraction). Notably, the magnetic susceptibility of lunar soil also increases with the decreasing grain size, as a function of the amount of nanophase-sized Fe(sup 0) in impact-melt generated glass. Keller et al. (1997, 1999) also discovered the presence of abundant np-Fe(sup 0) particles in the glass patinas coating most soil particles. Therefore, the correlation of glass content and magnetic susceptibility can be explained by the presence of the np-Feo particles in glass: small particles contain relatively more np-Fe(sup 0) as glass coatings because the surface area versus mass ratio of the grain size is so increased. The magnetic properties of lunar soil are important in dust mitigation on the Moon (Taylor et al. 2005). Thus material simulating this property is important for testing mitigation methods using electromagnetic field. This np- Fe(sup 0) also produces a unique energy coupling to normal microwaves, such as present in kitchen microwave ovens. Effectively, a portion of lunar soil placed in a normal 2.45 GHz oven will melt at greater than 1200 C before your tea will boil at 100 C, a startling and new discovery reported by Taylor and Meek (2004, 2005). Several methods have been investigated in attempts to make nanophase-sized Feo dispersed within silicate glass; like in the lunar glass. We have been successful in synthesizing such a product and continue to improve on our recipe. We have performed extensive experimentation on this subject to date. Ultimately it will probably be necessary to add this np-Fe(sup 0) bearing silicate glass to lunar soil stimulant, like JSC-1, to actually produce the desired magnetic and microwave coupling properties for use in appropriate ISRU experimentation.

Liu, Yang↗
DOE OSTI2015

Effects of forcing time scale on the simulated turbulent flows and turbulent collision statistics of inertial particles

In this paper, we study systematically the effects of forcing time scale in the large-scale stochastic forcing scheme of Eswaran and Pope [“An examination of forcing in direct numerical simulations of turbulence,” Comput. Fluids 16, 257 (1988)] on the simulated flow structures and statistics of forced turbulence. Using direct numerical simulations, we find that the forcing time scale affects the flow dissipation rate and flow Reynolds number. Other flow statistics can be predicted using the altered flow dissipation rate and flow Reynolds number, except when the forcing time scale is made unrealistically large to yield a Taylor microscale flow Reynolds number of 30 and less. We then study the effects of forcing time scale on the kinematic collision statistics of inertial particles. We show that the radial distribution function and the radial relative velocity may depend on the forcing time scale when it becomes comparable to the eddy turnover time. This dependence, however, can be largely explained in terms of altered flow Reynolds number and the changing range of flow length scales present in the turbulent flow. We argue that removing this dependence is important when studying the Reynolds number dependence of the turbulent collision statistics. The results are also compared to those based on a deterministic forcing scheme to better understand the role of large-scale forcing, relative to that of the small-scale turbulence, on turbulent collision of inertial particles. To further elucidate the correlation between the altered flow structures and dynamics of inertial particles, a conditional analysis has been performed, showing that the regions of higher collision rate of inertial particles are well correlated with the regions of lower vorticity. Regions of higher concentration of pairs at contact are found to be highly correlated with the region of high energy dissipation rate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory

We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state and exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.

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

Toward a Balanced Description of Ground and Excited States with Transcorrelated F12 Methods

By correlating only the 1-particle states occupied in the reference determinant, the conventional design for the single-reference R12/F12 explicitly correlated methods biases them toward the ground-state description, thereby making the treatment of response properties of the ground state, and energies and other properties of excited states less robust. While the use of multireference methods and/or extensions of the standard SP-projected geminals can achieve a more balanced description of ground and excited states, here we show that the same goals can be achieved by extending the action of F12 correlators to the occupied and valence unoccupied 1-particle states only. This design choice reflects the strong dependence of the optimal correlation length scale of the F12 ansatz on the orbital energies/structure, and helps to avoid the unphysical raising of the ground-state energy if the F12 geminals are used to correlate pairs of all 1-particle states. The improved F12 geminal design is incorporated into the unitary transcorrelation framework to produce a unitary 2-body Hamiltonian that incorporates the short-range dynamical correlation physics for ground and low-energy excited states in a balanced manner. This explicitly correlated effective Hamiltonian reduces the basis set requirement on the correlation-consistent basis cardinal number by 1 or more over the uncorrelated counterpart for the description of ground-state coupled-cluster singles and doubles (CCSD) energies, vertical excitation energies, and harmonic vibrational frequencies of equation-of-motion CCSD low-energy excited states.

Hamiltonians↗
DOE OSTI2020

Hydrodynamic Characterization of a Shallow Rectangular Spouted Bed Using Bed Pressure Signals and Image Processing Methods

To support the design of spouted bed reactors, experiments are performed in a rectangular spouted bed to measure the peak pressure drop (Δ P max ) and the internal and external spouting velocities ( U is and U es ). Four particle types spanning under Geldart D and B are used. U is and U es are measured from bed pressure drop and expansion ratio profiles, respectively, with the U es / U is ratio of each particle type obtained. Additionally, correlations predicting the Δ P max of Geldart D and B particles are developed by reviewing published correlations and investigating the nozzle effect. Good prediction is achieved with a slope of 0.997 and an adjusted R 2 of 0.998 in a 95% confidence interval. U es is predicted through correlations developed by adding effects of d p / D i and H 0 in the Mathur–Gishler equation. The calculated U es agrees well with the experimental data, achieving a slope of 0.998 and an adjusted R 2 of 0.998 in a 95% confidence interval.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Spectro-Microscopy Studies of Atmospheric Particles

Our project investigated composition and physical properties of individual atmospheric particles collected in field campaigns organized by the DOE Atmospheric Systems Research and Atmospheric Radiation Measurement (ASR/ARM) programs, such as the Green Ocean Amazon (GoAmazon, 2014/5), the Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems (HI-SCALE, 2016/7), the Aerosol and Cloud Experiment in the Eastern North Atlantic (ACE-ENA, 2017/8), the Aerosol–Ice Formation Closure Pilot Study (AEROICESTUDY, 2019) and in additional small-scale supporting field experiments focused on the investigation of the light-absorbing (aka brown carbon) atmospheric particles. In these studies, we investigated the contribution of natural and anthropogenic sources to populations of atmospheric particles during representative atmospheric conditions; characterized particle composition and evaluated their hygroscopic properties and propensity to act as cloud condensation nuclei (CCN) and ice nuclei (IN); correlated typical particle-type and mixing state characteristics with real-time measurements in the areas of studies. We used multi-modal spectro-microscopy techniques to examine elemental and molecular composition, mixing state, size, and higher order morphology for individual particles. Specifically, we used computer-controlled scanning electron microscopy and X-ray microanalysis for quantitative analysis of particle elemental composition, and we used transmission electron microscopy to provide additional information on the distribution of different components within individual particles (particle heterogeneity). We used synchrotron-based scanning transmission X-ray microscopy for quantitative description of the mixing state and molecular bonding of carbon in particles. The particle composition, mixing state, and morphology from analyzed periods was then combined with the real-time ARM measurements of aerosol size distribution, CCN concentration, hygroscopicity, and aerosol bulk composition. Combined together, results of our studies allowed us to assess the major particle sources (biogenic vs. anthropogenic, primary vs secondary) and gain insight into the atmospheric processing of aerosol particles resulting from condensation, coagulation, oxidative aging, and cloud processing. In collaboration with other scientists involved in field campaigns, we carried out statistical analysis of particle properties and their source-specific contributions to regional aerosol loading under representative air mass, meteorological, and cloud conditions.

scanning transmission X-ray microscopy↗
DOE OSTI2015

Effects of Particle Size, Electronic Connectivity, and Incoherent Nanoscale Domains on the Sequence of Lithiation in LiFePO 4 Porous Electrodes

High-resolution X-ray microscopy is used to investigate the sequence of lithiation in LiFePO 4 porous electrodes. For electrodes with homogeneous interparticle electronic connectivity via the carbon black network, the smaller particles lithiate first. For electrodes with heterogeneous connectivity, the better-connected particles preferentially lithiate. Correlative electron and X-ray microscopy also show the presence of incoherent nanodomains that lithiate as if they are separate particles.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Soft Interactions Modify the Diffusive Dynamics of Polymer-Grafted Nanoparticles in Solutions of Free Polymer

We examine the dynamics of silica particles grafted with high molecular weight polystyrene suspended in semidilute solutions of chemically similar linear polymer using X-ray photon correlation spectroscopy. The particle dynamics decouple from the bulk viscosity despite their large hydrodynamic size and instead experience an effective viscosity that depends on the molecular weight of the free polymer chains. Unlike for hard-sphere nanoparticles in semidilute polymer solutions, the diffusivities of the polymer-grafted nanoparticles do not collapse onto a master curve solely as a function of normalized length scales. Instead, the diffusivities can be collapsed across two orders of magnitude in free polymer molecular weight and concentration and one order of magnitude in grafted molecular weight by incorporating the ratio of free to grafted polymer molecular weights. These results suggest that the soft interaction potential between polymer-grafted nanoparticles and free polymer allows polymer-grafted nanoparticles to diffuse faster than predicted based on bulk rheology and modifies the coupling between grafted particle dynamics and the relaxations of the surrounding free polymer.

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

Low-dimensional perovskite nanoplatelet synthesis using in situ photophysical monitoring to establish controlled growth

Perovskite nanoparticles have attracted the attention of research groups around the world for their impressive photophysical properties, facile synthesis and versatile surface chemistry. Here, we report a synthetic route that takes advantage of a suite of soluble precursors to generate CsPbBr 3 perovskite nanoplatelets with fine control over size, thickness and optical properties. We demonstrate near unit cell precision, creating well characterized materials with sharp, narrow emission lines at 430, 460 and 490 nm corresponding to nanoplatelets that are 2, 4, and 6 unit cells thick, respectively. Nanoplatelets were characterized with optical spectroscopy, atomic force microscopy, scanning electron microscopy and transmission electron microscopy to explicitly correlate growth conditions, thickness and resulting photophysical properties. Detailed in situ photoluminescence spectroscopic studies were carried out to understand and optimize particle growth by correlating light emission with nanoplatelet growth across a range of synthetic conditions. It was found that nanoplatelet thickness and emission wavelength increase as the ratio of oleic acid to oleyl amine or the reaction temperature is increased. Using this information, we control the lateral size, width and corresponding emission wavelength of the desired nanoplatelets by modulating the temperature and ratios of the ligand.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Particle emission from artificial cometary materials

During KOSI (comet simulation) experiments, mineral-ice mixtures are observed in simulated space conditions. Emission of ice-/dust particles from the sample surface is observed by means of different devices. The particle trajectories are recorded with a video system. In the following analysis we extracted the parameters: particle count rate, spatial distribution of starting points on the sample surface, and elevation angle and particle velocity at distances up to 5 cm from the sample surface. Different kinds of detectors are mounted on a frame in front of the sample to register the emitted particles and to collect their dust residues. By means of these instruments the particle count rates, the particle sizes and the composition of the particles can be correlated. The results are related to the gas flux density and the temperature on the sample surface during the insolation period. The particle emission is interpreted in terms of phenomena on the sample surface, e.g., formation of a dust mantle.

Koelzer, Gabriele↗
NASA NTRS2017

Pulmonary Inflammatory Responses to Acute Meteorite Dust Exposures - to Acute Meteorite Dust Exposures - Exploration

New initiatives to begin lunar and martian colonization within the next few decades are illustrative of the resurgence of interest in space travel. One of NASA's major concerns with extended human space exploration is the inadvertent and repeated exposure to unknown dust. This highly interdisciplinary study evaluates both the geochemical reactivity (e.g. iron solubility and acellular reactive oxygen species (ROS) generation) and the relative toxicity (e.g. in vitro and in vivo pulmonary inflammation) of six meteorite samples representing either basalt or regolith breccia on the surface of the Moon, Mars, and Asteroid 4Vesta. Terrestrial mid-ocean ridge basalt (MORB) is also used for comparison. The MORB demonstrated higher geochemical reactivity than most of the meteorite samples but caused the lowest acute pulmonary inflammation (API). Notably, the two martian meteorites generated some of the highest API but only the basaltic sample is significantly reactive geochemically. Furthermore, while there is a correlation between a meteorite's soluble iron content and its ability to generate acellular ROS, there is no direct correlation between a particle's ability to generate ROS acellularly and its ability to generate API. However, assorted in vivo API markers did demonstrate strong positive correlations with increasing bulk Fenton metal content. In summary, this comprehensive dataset allows for not only the toxicological evaluation of astromaterials but also clarifies important correlations between geochemistry and health.

Harrington, A. D.↗
DOE OSTI2020

Machine-learning-revealed statistics of the particle-carbon/binder detachment in lithium-ion battery cathodes

The microstructure of a composite electrode determines how individual battery particles are charged and discharged in a lithium-ion battery. It is a frontier challenge to experimentally visualize and, subsequently, to understand the electrochemical consequences of battery particles’ evolving (de)attachment with the conductive matrix. Herein, we tackle this issue with a unique combination of multiscale experimental approaches, machine-learning-assisted statistical analysis, and experiment-informed mathematical modeling. Our results suggest that the degree of particle detachment is positively correlated with the charging rate and that smaller particles exhibit a higher degree of uncertainty in their detachment from the carbon/binder matrix. We further explore the feasibility and limitation of utilizing the reconstructed electron density as a proxy for the state-of-charge. Our findings highlight the importance of precisely quantifying the evolving nature of the battery electrode’s microstructure with statistical confidence, which is a key to maximize the utility of active particles towards higher battery capacity.

25 ENERGY STORAGE↗
DOE OSTI2015

Entropic depletion in colloidal suspensions and polymer liquids: Role of nanoparticle surface topography

Here, we employ a hybrid Monte Carlo plus integral equation theory approach to study how dense fluids of small nanoparticles or polymer chains mediate entropic depletion interactions between topographically rough particles where all interaction potentials are hard core repulsion. The corrugated particle surfaces are composed of densely packed beads which present variable degrees of controlled topographic roughness and free volume associated with their geometric crevices. This pure entropy problem is characterized by competing ideal translational and (favorable and unfavorable) excess entropic contributions. Surface roughness generically reduces particle depletion aggregation relative to the smooth hard sphere case. However, the competition between ideal and excess packing entropy effects in the bulk, near the particle surface and in the crevices, results in a non-monotonic variation of the particle-monomer packing correlation function as a function of the two dimensionless length scale ratios that quantify the effective surface roughness. As a result, the inter-particle potential of mean force (PMF), second virial coefficient, and spinodal miscibility volume fraction vary non-monotonically with the surface bead to monomer diameter and particle core to surface bead diameter ratios. A miscibility window is predicted corresponding to an optimum degree of surface roughness that completely destroys depletion attraction resulting in a repulsive PMF. Variation of the (dense) matrix packing fraction can enhance or suppress particle miscibility depending upon the amount of surface roughness. Connecting the monomers into polymer chains destabilizes the system via enhanced contact depletion attraction, but the non-monotonic variations with surface roughness metrics persist.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Axion structure formation – II. The wrath of collapse

ABSTRACT The first paper in this series showed that quantum chromodynamic axion dark matter, as a highly correlated Bose fluid, contains extra-classical physics on cosmological scales. The source of the derived extra-classical physics is exchange–correlation interactions induced by the constraints of symmetric particle exchange and interaxion correlations from self-gravitation. The paper also showed that the impact of extra-classical physics on early structure formation is marginal, as the exchange–correlation interaction is inherently non-linear. This paper continues the study of axion structure formation into the non-linear regime, considering the case of full collapse and virialization. The N-body method is chosen to study the collapse, and its algorithms are derived for a condensed Bose fluid. Simulations of isolated gravitational collapse are performed for both Bose and cold dark matter fluids using a prototype N-body code. Unique Bose structures are found to survive even the most violent collapses. Bose post-collapse features include dynamical changes to global structures, creation of new broad sub-structures, violations of classical binding energy conditions, and new fine structures. Effective models of the novel structures are constructed and possibilities for their observation are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Does the Hood Canal Bridge traffic noise affect migrating steelhead smolts?

Recent research conducted by NOAA’s Manchester Research Laboratory has provided strong evidence of a substantial migration interference and increased mortality risk associated with the Hood Canal Bridge , which drives the need to investigate the sound and vibration generated by the vehicles crossing the bridge. A month-long monitoring of in-water sound pressure and the vibration of the bridge pontoons was performed at the Hood Canal Bridge by three sets of autonomous sound and vibration recording systems deployed along the bridge. At each deployment site, sound pressure in water was recorded by a hydrophone submerged three meters under water, and the vibration of the bridge pontoon was recorded by an array of three orthogonally mounted single-axis accelerometers. Both sound pressure and acceleration data were analyzed and compared to the threshold levels suggested by previous studies. Results show that the observed sound pressure levels and particle accelerations are strongly correlated with traffic volume across the bridge, and particle accelerations occasionally exceeded the threshold levels that could elicit the avoidance behavior of juvenile salmon. It is concluded that the Hood Canal Bridge traffic noise can potentially affect migrating salmonids due to the intense particle accelerations caused by the bridge pontoons in water.

Zang, Xiaoqin↗
NASA NTRS1987

Statistical analysis of secondary particle distributions in relativistic nucleus-nucleus collisions

The use is described of several statistical techniques to characterize structure in the angular distributions of secondary particles from nucleus-nucleus collisions in the energy range 24 to 61 GeV/nucleon. The objective of this work was to determine whether there are correlations between emitted particle intensity and angle that may be used to support the existence of the quark gluon plasma. The techniques include chi-square null hypothesis tests, the method of discrete Fourier transform analysis, and fluctuation analysis. We have also used the method of composite unit vectors to test for azimuthal asymmetry in a data set of 63 JACEE-3 events. Each method is presented in a manner that provides the reader with some practical detail regarding its application. Of those events with relatively high statistics, Fe approaches 0 at 55 GeV/nucleon was found to possess an azimuthal distribution with a highly non-random structure. No evidence of non-statistical fluctuations was found in the pseudo-rapidity distributions of the events studied. It is seen that the most effective application of these methods relies upon the availability of many events or single events that possess very high multiplicities.

Mcguire, Stephen C.↗