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At least 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Structure–Property Relationships of Recycled Lithium-Ion Battery Cathodes: Microstructure Optimization Using Virtual Materials Testing

The increasing demand for sustainable battery technologies requires effective recycling strategies for end-of-life lithium-ion battery cathodes. In this study, virtual materials testing, a well-established framework for modeling conventionally manufactured NMC-based cathodes, is applied to partially recycled cathodes. To this end, virtual cathodes consisting of mixtures of pristine and recycled NMC particles are utilized to systematically analyze structure–property relationships depending on mixing ratios and different spatial arrangement strategies. For this purpose, a stochastic 3D model is developed that is capable of generating virtual cathodes with arbitrary volume fractions of active materials and mixing ratios of pristine and recycled NMC particles. Particularly, the stochastic 3D model can mimic the different size distributions of pristine and recycled particles that are observed in image data. Additionally, the model allows the structuring of pristine and recycled NMC either uniformly mixed or layer-wise arranged, mimicking single- and dual-layer cathodes. Subsequently, a systematic computational analysis is conducted to assess the influence of increasing active material ratios of recycled particles, ranging from 0 % to 100 %, while maintaining a constant overall active material volume fraction. The impact of particle mixing on cathode performance is evaluated by examining transport-relevant geometrical descriptors and effective properties, such as geodesic tortuosity, specific surface area, and tortuosity factor.

25 ENERGY STORAGE↗
NASA NTRS2002

Submillimeter Studies of Comets

This proposal supported observations of comets at submillimeter wavelengths. The prime science objectives were to use rotational transitions in molecules to measure the compositions and outgassing rates of the comets. The second science objectives focussed on the use of the submillimeter continuum radiation to provide a measure of the solid particle content and production rate in the comets. Both quantities provide fundamental constraints on the nature of these primitive bodies. The gas and dust measurements provide context for NASA's on-going and future studies of comets using in-situ spacecraft. Submillimeter continuum data, in particular, samples the largest particles in the cometary dust grain size distribution. These particles contain the bulk of the mass and present potential hazards to spacecraft when inside the dust coma.

Jewitt, David↗
DOE OSTI2021

Data-driven Chaos Indicator for Nonlinear Dynamics and Applications on Storage Ring Lattice Design

A data-driven chaos indicator concept is introduced to characterize the degree of chaos for nonlinear dynamical systems. The indicator is represented by the prediction accuracy of surrogate models established purely from data. It provides a metric for the predictability of nonlinear motions in a given system. When using the indicator to implement a tune-scan for a quadratic Hénon map, the main resonances and their asymmetric stop-band widths can be identified. When applied to particle transportation in a storage ring, as particle motion becomes more chaotic, its surrogate model prediction accuracy decreases correspondingly. Therefore, the prediction accuracy, acting as a chaos indicator, can be used directly as the objective for nonlinear beam dynamics optimization. This method provides a different perspective on nonlinear beam dynamics and an efficient method for nonlinear lattice optimization. Applications in dynamic aperture optimization are demonstrated as real world examples.

43 PARTICLE ACCELERATORS↗
NASA NTRS2018

Amorphous Phase Characterization Through X-Ray Diffraction Profile Modeling: Implications for Amorphous Phases in Gale Crater Rocks and Soils

The CheMin X-ray diffraction instrument on the Mars Science Laboratory rover has analyzed 18 rock and soil samples in Gale crater. Diffraction data allow for the identification of major crystalline phases based on the positions and intensities of well-defined peaks and also provides information regarding amorphous and poorly-ordered materials based on the shape and positions of broad scattering humps. The combination of diffraction data, elemental chemistry from APXS (Alpha Particle X-ray Spectrometer) and evolved gas analyses (EGA) from SAM (Sample Analysis at Mars) help constrain possible amorphous materials present in each sample (e.g., glass, opal, iron oxides, sulfates) but are model dependent. We present a novel method to characterize amorphous material in diffraction data and, through this approach, aim to characterize the phases collectively producing the amorphous profiles in CheMin diffraction data. This method may be applied to any diffraction data from samples containing X-ray amorphous materials, not just CheMin datasets, but we re-strict our discussion to Martian-relevant amorphous phases and diffraction data measured by CheMin or CheMin-like instruments.

Achilles, C. N.↗
NASA NTRS2001

POLAR/CEPPAD Data Analysis

This a report on the Comprehensive Energetic Particle Pitch Angle Distribution (CEPPAD) experiment of POLAR. Dr. Baker has been active in the design and calibration of the CEPPAD sensors and is now heavily involved in the analysis and interpretation of the data. Baker and his team have developed analysis and data display software and continue to support all aspects of the CEPPAD program.

Baker, D. N.↗
DOE OSTI2024

Analysis of fusion alphas interaction with RF waves in D-T plasma at JET

This work studies the influence of RF waves in ICRH range of frequency on fusion alphas during the recent JET D-T campaign. Fusion alphas from D-T reactions are born with energies of about 3.5MeV and therefore have significant Doppler shift enabling synergistic interaction between them and RF waves at broad range of frequencies including the ones foreseen for future fusion machines ITER and SPARC. Resonant interaction between RF waves and alphas, also called synergistic effects, will modify the alpha distribution and ultimately will have an impact on alpha orbit losses and heating. Data from JET 3.43T/2.3MA pulses based on the hybrid scenario during the DTE2 campaign were used for the analysis in this study. The impact of synergistic effects on alpha orbit losses and alpha heating is assessed. Conclusions are based on analysis of experimental data for fast alphas losses, i.e. measurements from neutral particle analyser, fast ion losses scintillator detector, Faraday cups, and TRANSP simulations. Experimental data and TRANSP analysis indicate that there are indeed changes in the alphas' distribution function due to interaction with RF waves. Data from the scintillator detector and the Faraday cups were compared for pulses with and without ICRH power and versus cases with enhanced alpha losses due to MHD activities. The trends from these diagnostics consistently show no additional alpha losses due to interaction with RF waves. TRANSP predictions for the impact of the synergistic effects on alpha heating show up to 42% increase in alpha electron heating and up to 25% increase in alpha ion heating. These effects however become negligibly small, less than 1%, when alpha heating is compared to the total auxiliary hearting power in the investigated JET pulses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1989

Aircraft microwave observations and simulations of deep convection at 18-183 GHz

A radiative transfer model is used to simulate the aircraft multichannel microwave observations and to study a storm system observed on June 29, 1986 during the Cohmex program. The model, which is a revision of the model used by Wilheit et al. (1982), is described. The microwave upwelling brightness temperatures at the top of the atmosphere are calculated from hydrometeor profiles derived from ground-based radar data. The model is used to study various vertical hydrometeor phase profiles and particle size distributions. The results are compared with aircraft data from the Multispectral Cloud Radiometer and the Microwave Precipitation Radiometer. The results show that the brightness temperatures are directly influenced by the complex nature of hydrometeors, including size distribution and the mixture of ice and water phases.

Adler, R. F.↗
NASA NTRS1993

Variations in Venus cloud particle properties: A new view of Venus's cloud morphology as observed by Galileo Near-Infrared Mapping Spectrometer

Using Venus nightside data obtained by the Galileo Near-Infrared Mapping Spectrometer (NIMS), we have studied the correlation of 1.74 and 2.30 micrometer radiation which is transmitted through the clouds. Since the scattering and absorption properties of the cloud particles are different at these two wavelengths, one can distinguish between abundance variations and variations in the properties of the cloud particles themselves. The correlation of intensities shows a clustering of data into five distinct branches. Using radiative transfer calculations, we interpret these branches as regions of distinct but different mixes of Mode 2' and 3 particles. The data and calculations indicate large differences in these modal ratios, the active cloud regions varying in content from nearly pure Mode 2' particles to almost wholly Mode 3. The spatial distribution of these branches shows large scale sizes and both hemispheric symmetries and asymmetries. High-latitude concentrations of large particles are seen in both hemispheres and there is banded structure of small particles seen in both the North and South which may be related. The mean particle size in the Northern Hemisphere is greater than found in the South. If these different branch regions are due to mixing of vertically stratified source regions (e.g. photochemical and condensation source mechanisms), then the mixing must be coherent over very large spatial scales.

Carlson, R. W.↗
DOE OSTI2021

Selecting XFEL single-particle snapshots by geometric machine learning

A promising new route for structural biology is single-particle imaging with an X-ray Free-Electron Laser (XFEL). This method has the advantage that the samples do not require crystallization and can be examined at room temperature. However, high-resolution structures can only be obtained from a sufficiently large number of diffraction patterns of individual molecules, so-called single particles. Here, we present a method that allows for efficient identification of single particles in very large XFEL datasets, operates at low signal levels, and is tolerant to background. This method uses supervised Geometric Machine Learning (GML) to extract low-dimensional feature vectors from a training dataset, fuse test datasets into the feature space of training datasets, and separate the data into binary distributions of “single particles” and “non-single particles.” As a proof of principle, we tested simulated and experimental datasets of the Coliphage PR772 virus. We created a training dataset and classified three types of test datasets: First, a noise-free simulated test dataset, which gave near perfect separation. Second, simulated test datasets that were modified to reflect different levels of photon counts and background noise. These modified datasets were used to quantify the predictive limits of our approach. Third, an experimental dataset collected at the Stanford Linear Accelerator Center. The single-particle identification for this experimental dataset was compared with previously published results and it was found that GML covers a wide photon-count range, outperforming other single-particle identification methods. Moreover, a major advantage of GML is its ability to retrieve single particles in the presence of structural variability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Extinction Monitoring of Pulsed Proton Beams Using FPGA-Based Peak Detection

The Mu2e experiment at Fermilab imposes stringent requirements on the elimination of out-of-time beam in its pulsed proton beam - a requirement known as "extinction". We present a method to measure the out-of-time particle rates to calculate the level of extinction in the inter-pulse gaps. The proposed method utilizes an array of quartz Cherenkov radiators and photomultiplier tubes to detect particles scattered from a vacuum chamber in the M4 transfer beamline at Fermilab.The measurement will employ a new μTCA-based FPGA system for data acquisition and signal processing, utilizing real-time peak detection algorithms to count scattered beam particles. By integrating data over many transfers, the time profile of the out-of-time beam will be resolved to fractional levels relative to that of the in-time beam. These results are compared with G4beamline simulations to validate models of beam transport, dynamics, and extinction, providing critical input for optimizing beam delivery to Mu2e.

Hensley, Ryan [UC, Davis]↗
NASA NTRS1989

Morphology and compositional differentiation of the surface of comets

The spacecraft missions to Comet Halley gave us the first detailed view of a comet nucleus. What was suspected before, that the nucleus surface was heterogeneous, was confirmed. The Halley Multicolor Camera aboard Giotto recorded jet-like dust features emanating from active regions covering approximately 15 percent of the surface that were responsible for emitting most of the dust and gas. An intensity gradient across the nucleus originating at the active areas and falling off to the darker, inactive region on the night side is caused by small particles that are more easily entrained by surface winds than larger particles that tend to remain in the jets. Data from the PIA (Giotto) and PUMA (Vega 1,2) instruments indicate that the smallest dust particles are enriched with organics (CHON particles). Some of this fine dust gravitationally settles creating a thin surface layer rich in organics. Particularly strong dust jets may cause wind-blown surface structures over inactive areas, such as, leeward dust accumulation behind hills. At close heliocentric distances the fine dust may be sintered on the surface.

Huebner, W. F.↗
NASA NTRS2003

Radiation Pressure Measurements on Micron Size Individual Dust Grains

Measurements of electromagnetic radiation pressure have been made on individual silica (SiO2) particles levitated in an electrodynamic balance. These measurements were made by inserting single charged particles of known diameter in the 0.2 micron to 6.82 micron range and irradiating them from above with laser radiation focused to beam-widths of approx. 175-400 micron, at ambient pressures approx. 10(exp -3) to 10(exp -4) torr. The downward displacement of the particle due to the radiation force is balanced by the electrostatic force indicated by the compensating dc potential applied to the balance electrodes, providing a direct measure of the radiation force on the levitated particle. Theoretical calculations of the radiation pressure with a least-squares fit to the measured data yield the radiation pressure efficiencies of the particles, and comparisons with Mie scattering theory calculations provide the imaginary part of the refractive index of silica and the corresponding extinction and scattering efficiencies.

Abbas, M. M.↗
NASA NTRS2003

Radiation Pressure Measurements on Micron-Size Individual Dust Grains

Measurements of electromagnetic radiation pressure have been made on individual silica (SiO2) particles levitated in an electrodynamic balance. These measurements were made by inserting single charged particles of known diameter in the 0.2- to 6.82-micron range and irradiating them from above with laser radiation focused to beam widths of approximately 175- 400 microns at ambient pressures particle due to the radiation force is balanced by the electrostatic force indicated by the compensating dc potential applied to the balance electrodes, providing a direct measure of the radiation force on the levitated particle. Theoretical calculations of the radiation pressure with a least-squares fit to the measured data yield the radiation pressure efficiencies of the particles, and comparisons with Mie scattering theory calculations provide the imaginary part of the refractive index of SiO2 and the corresponding extinction and scattering efficiencies.

Abbas, M. M.↗
DOE OSTI2024

Search for 2p2h Interactions in the NOνA Near Detector

The physics of 2p2h interactions and their contribution to the NO$\nu$A near detector data are not fully understood. This study attempts to shed some light on these interactions and the accuracy of the models used to simulate them through a search for a specific 2p2h interaction in the NO$\nu$A near detector. By performing an event selection algorithm based on particle identifier algorithms run over reconstructed data, a signal region is created to minimize the background while maximizing the number of 2p2h events where a muon neutrino interacts with a neutron and a proton coupled by a meson exchange current and produces two protons and one muon. In the signal region, separation is found between the signal events and the background in plots of the angles between the protons and the muon. Although a full statistical analysis is not completed in this study, comparing the angle plots for simulation and data shows that the model used to simulate the events reasonably approximates reality and that the near detector data likely includes signal events. Signal events are also identified in event displays, further indicating that there is some contribution of the signal to the overall NO$\nu$A near detector data.

Gable, Kyle↗
DOE OSTI2026

Engineered Membrane Vesicle Production via oprF or oprI Deletion Has Distinct Phenotypic Effects in Pseudomonas putida -putative knockouts table

Table S1, putative gene knockout targets in P. putida KT2440 to enhance vesiculation; Table S2, protein sequence identity of OmpA from E. coli K12 to P. putida KT2440 genes; Table S3, strains utilized in this study and corresponding construction details; Table S4, oligonucleotides utilized in this study; Table S5, plasmids utilized in this study; Table S6, sequences for mNeonGreen, tags, and codon-optimized genes; Figure S1, particle count per gCDW for KT2440 and knockout strains corresponding to data presented in Figure 1B; Figure S2, OD600 measurements of extracted MVs from KT2440 and knockout strains; Figure S3, particle count per gCDW for WT, ΔPP_4669, and ΔPP_1502; Figure S4, particle count per gCDW for KT2440 and knockout strains corresponding to data presented in Figure 3C; Figure S5, sizes of MVs corresponding to particle counts in Figure S4; Figure S6, particle count per gCDW for KT2440 grown on 20 mM glucose alone or 20 mM glucose plus 12.5 mM p-coumarate and 12.5 mM ferulate; Figure S7 and Figure S8, principal component analysis of the cellular fractions; Figure S9, heatmap of outer membrane proteins with differential abundance; and Figure S10, mNeonGreen (mNG) fluorescence signal for the cellular fraction and the extracellular fraction

hypervesiculation↗
DOE OSTI2020

Retrieving functional pathways of biomolecules from single-particle snapshots

Abstract A primary reason for the intense interest in structural biology is the fact that knowledge of structure can elucidate macromolecular functions in living organisms. Sustained effort has resulted in an impressive arsenal of tools for determining the static structures. But under physiological conditions, macromolecules undergo continuous conformational changes, a subset of which are functionally important. Techniques for capturing the continuous conformational changes underlying function are essential for further progress. Here, we present chemically-detailed conformational movies of biological function, extracted data-analytically from experimental single-particle cryo-electron microscopy (cryo-EM) snapshots of ryanodine receptor type 1 (RyR1), a calcium-activated calcium channel engaged in the binding of ligands. The functional motions differ substantially from those inferred from static structures in the nature of conformationally active structural domains, the sequence and extent of conformational motions, and the way allosteric signals are transduced within and between domains. Our approach highlights the importance of combining experiment, advanced data analysis, and molecular simulations.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1985

Thermospheric and ionospheric structure of the Southern Hemisphere polar cap on October 21, 1981, as determined from Dynamics Explorer 2 satellite data

For a number of years, satellites have been employed to measure auroral particles and fields within the high-latitude thermosphere. In the present paper, data from orbit 1174 of the Dynamics Explorer 2 satellite on October 21, 1981, are utilized to calculate the structure of the ionosphere and thermosphere below the satellite altitude down to about 80 km. Attention is given to details regarding the DE 2 measurements, a satellite track model, the calculated ionospheric structure, and the calculated neutral gas heating rates. The investigation demonstrates that the technique of deriving characteristics of the ionosphere and atmosphere below a satellite track promises to be very fruitful for defining the characteristics of the lower thermosphere for use in large numerical models of the thermosphere and ionosphere.

Emery, B. A.↗