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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Electronic properties of Ir 3 Li and ultra-nanocrystalline lithium superoxide formation

Current lithium-oxygen (Li-O 2 ) batteries suffer from large charge overpotentials related to electronic resistivity of the insulating lithium peroxide (Li 2 O 2 ) discharge product. One potential solution to this challenge is the stabilization of the lithium superoxide (LiO 2 ) discharge intermediate, which has much higher electronic conductivity compared to Li 2 O 2 . Cathodes based on small iridium (Ir) nanoparticles have been recently used in a LiO 2 battery to successfully stabilize the LiO 2 product, however, the LiO 2 had a short lifetime. In the previous study, researchers found that the LiO 2 was stabilized on Ir 3 Li surfaces which were formed from Ir nanoparticles during battery operation. Little is known about the electronic properties of Ir 3 Li and its role in stabilizing LiO 2 product formation. This work provides the first study of the electronic properties of Ir 3 Li, which was thermally synthesized in bulk prior to implementation on the reduced graphene oxide (rGO) cathode of a Li-O 2 cell. Here, the bulk Ir 3 Li was found to have comparable electrical conductivity to Ir metal, possess metal-like magnetic properties, and has an affinity towards O 2 adsorption. The LiO 2 discharge product formed from the Li-O 2 battery discharge was characterized using Raman spectroscopy, titration, along with a comprehensive transmission electron microscopy (TEM) study. This analysis revealed the formation of ultra-nanocrystalline LiO 2 particles greater than 200 nm. This result was attributed to the use of large micron sized Ir 3 Li particles, which could stabilize larger LiO 2 particles compared to previous cathodes that utilized Ir nanoparticles that partially converted to Ir 3 Li during cycling. These results demonstrate that cathode properties can be modified to stabilize the bulk LiO 2 discharge product, which can be useful for the further development of LiO 2 -based Li-O 2 batteries.

25 ENERGY STORAGE↗
DOE OSTI2018

Phase Transformation Mechanism of Li-Ion Storage in Iron(III) Hydroxide Phosphates

Many ion storage compounds used for electrodes in Li-ion batteries undergo a first order phase transformation between the Li-rich and Li-poor end-members during battery charge and discharge. This often entails large transformation strains due to lattice misfits, which may hamper charge and discharge kinetics. Iron(III) hydroxide phosphate, Fe 2–y (PO 4 )(OH) 3–3y (H 2 O) 3y–2 is a promising new cathode material with high Li-ion storage capacity, low production costs and low toxicity. Previous reports on this material indicate that the Li-ion intercalation and extraction in this material is accompanied by a second-order solid solution transformation. However, direct information about the transformation mechanism in Fe 2–y (PO 4 )(OH) 3–3y (H 2 O) 3y–2 is lacking, and several details remain unclear. In this work, Fe 2–y (PO 4 )(OH) 3–3y (H 2 O) 3y–2 is prepared by hydrothermal synthesis and characterized structurally, morphologically and by electrochemical analysis (galvostatic cycling and cyclic voltammetry). A wide range of synthesis conditions is screened, which provides information about their correlation with chemical composition, crystallite size, particle morphology and electrochemical performance. The phase transformation mechanism of selected materials is investigated through synchrotron radiation powder X-ray diffraction collected during galvanostatic discharge–charge cycling. Furthermore, this confirms a complete solid solution transformation both during Li-insertion (discharge) and -extraction (charge), but also reveals a highly anisotropic evolution in lattice dimensions, which is linked to an irreversible reaction step and the high vacancy concentration in Fe 2–y (PO 4 )(OH) 3–3y (H 2 O) 3y–2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Synthesis and catalytic activity of polysaccharide templated nanocrystalline sulfated zirconia

Nanoscaled materials are of great interest due to their unique enhanced optical, electrical and magnetic properties. Sulfate-promoted zirconia has been shown to exhibit super acidic behavior and high activity for acid catalyzed reactions. Nanocrystalline zirconia was prepared in the presence of polysaccharide template by interaction between ZrOCl{sub 2}⋅8H{sub 2}O and chitosan template. The interaction was carried out in aqueous phase, followed by the removal of templates by calcination at optimum temperature and sulfation. The structural and textural features were characterized by powder XRD, TG, SEM and TEM. XRD patterns showed the peaks of the diffractogram were in agreement with the theoretical data of zirconia with the catalytically active tetragonal phase and average crystalline size of the particles was found to be 9 nm, which was confirmed by TEM. TPD using ammonia as probe, FTIR and BET surface area analysis were used for analyzing surface features like acidity and porosity. The BET surface area analysis showed the sample had moderately high surface area. FTIR was used to find the type species attached to the surface of zirconia. UV-DRS found the band gap of the zirconia was found to be 2.8 eV. The benzylation of o-xylene was carried out batchwise in atmospheric pressure and 433K temperature using sulfated zirconia as catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Annealing effect on the particle size and chemical composition of activated carbon obtained from vacuum furnace of teak sawdust

Activated carbon was produced from sawdust by using physical method in a high temperature vacuum furnace without additional chemical. Fast pyrolysis process was carried out prior in fluidized a bed furnace to produce char before activation process. Experiments were conducted to investigate the influence of various process parameters such as particle size, activation temperature and activation time on the quality of the activated carbon. In addition, the chemical composition studies were done by using x-ray fluorescence (XRF) spectroscopy. The crystallite sizes were calculated by using Scherer equation based on x-ray diffraction (XRD) spectroscopy data. The pyrolysis temperature and time were varied from 600°C to 900°C and from 3 hours to 6 hours, respectively. The particle size of activated carbon was increase with increasing temperature. The composition and crystallite size of the prepared activated carbon was compared with the non-activated carbon. The results indicated that the teak sawdust carbon could be employed as a low cost alternative to produce commercial activated carbon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Chromium doping effects on structural and dielectric properties of Mn-Zn cobaltites

The effect of transition metal Cr{sup 2+} ion as a dopant of Zn{sup 2+} in Mn{sub 0.5}Zn{sub 0.5}Co{sub 2}O{sub 4} is investigated. Co-doped Mn{sub 0.5}Zn{sub 0.5-x}Cr{sub x}Co{sub 2}O{sub 4} (x = 0, 0.3 and 0.5) cobaltites were prepared by solid-state reaction route. X-ray powder diffraction (XRD) analysis reveals that the samples prepared are polycrystalline single-phase cubic spinel in structure having a space group Fd3m. An increase in average particle size observed with Cr{sup 2+} doping. However other structural parameters such as X-ray density, micro strain and dislocation density shows almost a similar decreasing trend with increase in Cr{sup 2+}. High value of permittivity ∼10{sup 5} is observed for the parent Mn{sub 0.5}Zn{sub 0.5}Co{sub 2}O{sub 4} and shows a substantial decrease with increase in the Cr{sup 2+} doping. Higher doping of Cr{sup 2+} also increases the dielectric loss and hence limits its technological importance. At lower frequencies ac conductivity has been found to increase with increase in Cr{sup 2+} content.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Synthesis and characterization of CdSe quantum dots dispersed in PVA matrix by chemical route

CdSe quantum dots using polyvinyl alcohol as a capping agent have been synthesized via a simple heat induced thermolysis technique. The structural analysis of CdSe/PVA thin film was studied by X-ray diffraction, which confirms crystalline nature of the prepared film. The surface morphology and particle size of the prepared sample was studied by Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The SEM studies of CdSe/PVA thin film shows the average size of particles in the form of clusters of several quantum dots in the range of 10-20 nm. The morphology of CdSe/PVA thin film was further examined by TEM. The TEM image shows the fringes of tiny dots with average sizes of 4-7 nm. The optical properties of CdSe/PVA thin film were studied by UV-VIS absorption spectroscopy. The CdSe/PVA quantum dots follow the role of direct transition and the optical band gap is found to be 4.03 eV. From dc conductivity measurement, the observed value of activation energy was found to be 0.71 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Raman Spectroscopy for the On-Line Analysis of Oxidation States of Oxygen Carrier Particles (Final Report)

The need for cleaner energy systems, including CO 2 capture technologies, is driving the current development of chemical looping technologies such as chemical looping combustion (CLC) and chemical looping gasification (CLG). Specific processes that are under development for using solid fuels are in-situ Gasification Chemical-Looping Combustion (iG-CLC) and Chemical Looping with Oxygen Uncoupling (CLOU). Chemical looping is based on using oxygen carriers (e.g., iron oxides, copper oxides, calcium sulfates, etc.) to provide the oxygen for the reaction with the fuel. In order to optimize the overall process performance, it is critical that the properties of the oxygen carriers are well-defined and maintained for their specific purpose during the different stages of the CLC process. One of the critical properties of the oxygen carrier is its oxidation state (e.g., content of Fe 2 O 3 vs. Fe 3 O 4 ) as it affects the fundamental operation of the CLC process. Unfortunately, the ability to make on-line measurements of the oxidation state of oxygen carriers is lacking and new sensors need to be developed. The goal of this project was to evaluate the potential of Raman spectroscopy as a sensor for the on-line analysis of the oxidation state of oxygen carrier particles. Oxygen carrier particles (OCPs) of interest include iron oxides, copper oxides, calcium sulfite, and calcium sulfate, with particle sizes typically less than 0.5 mm diameter. The expected operating conditions of the sensor include OCP temperatures in the range of 800 °C to 1000 °C, and pressures of about 10 atm. We evaluated continuous wave (cw), Quasi cw, pulsed, and time-gated Raman spectroscopy at multiple wavelengths (355 nm, 360 nm, 532 nm, 633 nm, 785 nm). Samples included iron oxides, copper oxides, calcium sulfate, and a custom sample provided by NETL for temperatures beyond 1000 °C. Our findings can be summarized as follows: Calcium sulfate can be detected via cw and pulsed 532 nm Raman spectroscopy at temperatures above 1100 °C.; Hematite (Fe 2 O 3 ) Raman spectra can be detected at temperatures of 700 °C via cw 360 nm, 1089 °C with cw 532 nm, 400 °C with cw 633 and 600 °C with cw 785 nm lasers; Magnetite (Fe 3 O 4 ) can be detected via cw 532 nm Raman spectroscopy up to 600 °C; Mixtures of Fe2O3 and Fe 3 O 4 can be distinguished for temperatures up to 600 °C using 532 nm; Copper oxides did not yield suitable signals at elevated temperatures; The custom NETL samples did not yield suitable signals at elevated temperatures. Raman spectroscopy would be a suitable approach for calcium sulfate as this material provides a very strong Raman signal at high temperatures. Oxygen carrier particles of higher interest such as metal oxides, however, do not yield a strong-enough signal at elevated temperatures. As such, Raman spectroscopy is not suitable to differentiate the oxidation state of these materials at temperatures above 600 °C.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2019

Raman Spectroscopy for the On-Line Analysis of Oxidation States of Oxygen Carrier Particles

The need for cleaner energy systems, including CO 2 capture technologies, is driving the current development of chemical looping technologies such as chemical looping combustion (CLC) and chemical looping gasification (CLG). Specific processes that are under development for using solid fuels are in-situ Gasification Chemical-Looping Combustion (iG-CLC) and Chemical Looping with Oxygen Uncoupling (CLOU). Chemical looping is based on using oxygen carriers (e.g., iron oxides, copper oxides, calcium sulfates, etc.) to provide the oxygen for the reaction with the fuel. In order to optimize the overall process performance, it is critical that the properties of the oxygen carriers are well-defined and maintained for their specific purpose during the different stages of the CLC process. One of the critical properties of the oxygen carrier is its oxidation state (e.g., content of Fe 2 O 3 vs. Fe 3 O 4 ) as it affects the fundamental operation of the CLC process. Unfortunately, the ability to make on-line measurements of the oxidation state of oxygen carriers is lacking and new sensors need to be developed. The goal of this project was to evaluate the potential of Raman spectroscopy as a sensor for the on-line analysis of the oxidation state of oxygen carrier particles. Oxygen carrier particles (OCPs) of interest include iron oxides, copper oxides, calcium sulfite, and calcium sulfate, with particle sizes typically less than 0.5 mm diameter. The expected operating conditions of the sensor include OCP temperatures in the range of 800 °C to 1000 °C, and pressures of about 10 atm. We evaluated continuous wave (cw), Quasi cw, pulsed, and time-gated Raman spectroscopy at multiple wavelengths (355 nm, 360 nm, 532 nm, 633 nm, 785 nm). Samples included iron oxides, copper oxides, calcium sulfate, and a custom sample provided by NETL for temperatures beyond 1000 °C. Our findings can be summarized as follows: Calcium sulfate can be detected via cw and pulsed 532 nm Raman spectroscopy at temperatures above 1100 °C. Hematite (Fe 2 O 3 ) Raman spectra can be detected at temperatures of 700 °C via cw 360 nm, 1089 °C with cw 532 nm, 400 °C with cw 633 and 600 °C with cw 785 nm lasers. Magnetite (Fe 3 O 4 ) can be detected via cw 532 nm Raman spectroscopy up to 600 °C. Mixtures of Fe 2 O 3 and Fe 3 O 4 can be distinguished for temperatures up to 600 °C using 532 nm. Copper oxides did not yield suitable signals at elevated temperatures. The custom NETL samples did not yield suitable signals at elevated temperatures. Raman spectroscopy would be a suitable approach for calcium sulfate as this material provides a very strong Raman signal at high temperatures. Oxygen carrier particles of higher interest such as metal oxides, however, do not yield a strong-enough signal at elevated temperatures. As such, Raman spectroscopy is not suitable to differentiate the oxidation state of these materials at temperatures above 600 °C.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1998

Results of Two-Stage Light-Gas Gun Development Efforts and Hypervelocity Impact Tests of Advanced Thermal Protection Materials

Gun development efforts to increase the launching capabilities of the NASA Ames 0.5-inch two-stage light-gas gun have been investigated. A gun performance simulation code was used to guide initial parametric variations and hardware modifications, in order to increase the projectile impact velocity capability to 8 km/s, while maintaining acceptable levels of gun barrel erosion and gun component stresses. Concurrent with this facility development effort, a hypervelocity impact testing series in support of the X-33/RLV program was performed in collaboration with Rockwell International. Specifically, advanced thermal protection system materials were impacted with aluminum spheres to simulate impacts with on-orbit space debris. Materials tested included AETB-8, AETB-12, AETB-20, and SIRCA-25 tiles, tailorable advanced blanket insulation (TABI), and high temperature AFRSI (HTA). The ballistic limit for several Thermal Protection System (TPS) configurations was investigated to determine particle sizes which cause threshold TPS/structure penetration. Crater depth in tiles was measured as a function of impact particle size. The relationship between coating type and crater morphology was also explored. Data obtained during this test series was used to perform a preliminary analysis of the risks to a typical orbital vehicle from the meteoroid and space debris environment.

Cornelison, C. J.↗
NASA NTRS2014

A Novel Hybrid Ultramicrotomy/FIB-SEM Technique: Preparation of Serial Electron-Transparent Thin Sections of a Hayabusa Grain

The Japanese space agency's (JAXA) Hayabusa mission returned the first particulate samples (typically <100micron) from the surface of an asteroid (25143 Itokawa). These precious samples provide important insights into early Solar System processes, but their sizes pose tremendous challenges to coordinated analysis using a variety of nano- and micro-beam techniques. The ability to glean maximal information from individual particles has become increasingly important and depends critically on sample preparation. We developed a hybrid technique combining traditional ultramicrotomy with focused ion beam (FIB) techniques, allowing for more thorough in situ investigations of grain surfaces and interiors. Using this method, we increase the number of FIB-prepared sections that can be recovered from a particle with dimensions on the order of tens of microns. These sections can be subsequently analyzed using a variety of analytical techniques. Particle RA-QD02-0211 is a approx. 40×40×20 micron particle from Itokawa containing olivine and Fe sulfides. It was embedded in low viscosity epoxy and partly sectioned to a depth of approx 10 micron; sections are placed on Cu grids with thin amorphous films for transmission electron microscope (TEM) analyses. With the sample surface partly exposed, the epoxy bullet is trimmed to a height of approx. 5mm to accommodate the allowable dimensions for FIB work (FEI Quanta 600 3D dual beam FIB-SEM). Using a diamond trim knife, the epoxy surrounding the grain is removed on 3 sides (to within a few microns of the grain); the depth of material removed extends well below the bottom of the particle. The sample is attached to an SEM pin mount, the epoxy coated with conductive paint, and the entire assembly coated with approx. 40nm of carbon to eliminate sample charging during FIB work. A protective carbon cap is placed according to the plan for the 15 FIB sections. The central 'spine' of the cap runs perpendicular to the front of the sample, and the 'ribs' protruding from either side run parallel. Each rib indicates the location of a planned FIB section, and the spine contains the final two planned sections. We use a cap with a 4 micron-wide spine and 2micron-wide ribs that have ≳3.5 micron of space between them (narrower cuts result in too much re-deposition of material inside the trenches). Using a 30kV, 3nA ion-beam we expose the front surface of the grain and commence milling trenches between sections. Rather than using the typical C-cut to prepare the sample for lift-out, an L-cut is used instead, leaving the sample connected by an interior tab. tab. Sections are lifted out, attached to TEM grids and thinned to electron transparency. TEM analyses show that our hybrid technique preserves both interior and edge features, including surface modifications from exposure to the space environment, such as damaged rims that form in response to solar wind implantation effects and adhering grains. In addition, the FIB sections provide larger areas that are free of fractures and chatter effects in comparison to the microtome thin sections, thus enabling more accurate measurements of solar flare particle track densities that are used to determine the surface exposure age of the particles.

Berger, Eve L.↗
DOE OSTI2019

Effects of Sintering Temperature on Structural, Morphological and Magnetic Properties of Strontium Ferrite Nanoparticles

In the present investigation, structural, morphological and magnetic properties of SrFe{sub 2}O{sub 4} ferrite nanoparticles prepared by a sol–gel method were studied. The techniques used in this investigation were thermogravimetric analysis/differential thermal analysis (TGA/DTA), X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX), field emission scanning electron microscopy (FESEM), Fourier transform infrared spectrometry (FT-IR), vibrating sample magnetometry (VSM) and Curie temperature analysis. The average crystallite sizes of the SrFe{sub 2}O{sub 4} were calculated using the Scherrer formula and found in the range of 11–22 nm, and this can be attributed to the grain growth of the particles. The lattice parameter of SrFe{sub 2}O{sub 4} nanoparticles decreased from 6.64 to 6.51 nm as the sintering temperature was raised from 600 to 900 °C. FT-IR analysis confirmed that bands in the range 430–590 cm{sup − 1} are due to the stretching vibration of oxygen atom and metal ions (M–O) that is Fe–O confirming the formation of spinel ferrite. Surface morphology of the samples has been studied using FESEM. The elemental composition along with their relative ratios was given by EDX and was found to be in agreement with their initial calculated values. The saturation magnetization, magnetic coercivity and remanence increase with an increasing sintering temperature from 600 to 900 °C. The present study reports the Curie temperature with an amount of 551 °C of the synthesized strontium nanoferrites using the Faraday technique.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Design and Preparation of SiC-ZrC Composite Coating Layers by FB-CVD Used in TRISO Coated Fuel Particles - 18417

Tri-structural-isotropic (TRISO) particle has been successful in high temperature gas cooled reactor (HTGR), but an improved design is required for future development. In this paper, two alternative designs of TRISO particle are proposed by introducing ZrC to the coating layers. One design is to add an individual ZrC layer between the inner PyC layer and the SiC layer. Another design is to construct a periodic coating layer with the repeated sequence of SiC/SiC-ZrC by doping pulsed ZrCl{sub 4} at proper time intervals during the SiC preparation process. The designed coating layers were successfully prepared on the ZrO{sub 2}/buffer/IPyC particles by the fluidized bed chemical vapor deposition (FB-CVD) method. Microstructures and characterizations of the composite coating layers were given based on XRD, SEM, EDX and Raman scattering analysis. By controlling the pulse parameter, the grain size of SiC is significantly decreased which means doping ZrCl{sub 4} can interrupt normal growth of SiC crystals. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Employing Machine Learning for New Particle Formation Identification and Mechanistic Analysis: Insights From a Six‐Year Observational Study in the Southern Great Plains

We present a supervised machine learning (ML) framework to automatically identify new particle formation (NPF) events and analyze key atmospheric factors associated with their occurrence and growth. We applied ML to detect NPF events using start time and particle concentrations across size ranges, while identifying atmospheric variables including ambient temperature, relative humidity, solar radiation intensity (SRI), wind speed, wind direction, boundary layer height, total organics, sulfate, nitrate, total surface area concentration, sulfur dioxide, and turbulent kinetic energy (TKE). We analyzed a 6-year data set from the Atmospheric Radiation Measurement at the Southern Great Plains (SGP) site in Oklahoma, USA. Using long-term ground-based measurements, we identified NPF events and applied Random Forest Classifiers, which achieved 90%–95% prediction accuracy. Feature importance analysis highlighted SRI, relative humidity, and ambient temperature as the most influential variables, contributing normalized importances of 28%, 17%, and 10%. Partial Dependence Plots (PDPs) indicated that higher SRI and lower relative humidity were critical in promoting NPF formation at SGP. Seasonally, NPF events were more frequent in winter (42.1%) and spring (35.5%), and least in summer (4.0%). Particle growth rates also exhibited a seasonal variation, with the lowest in winter (below 2 nm hr −1 ) and highest in late spring and early summer (exceeding 5 nm hr −1 ). Temperature, turbulent kinetic energy, and aerosol properties were the primary factors of growth rate variability. This study advances predictive modeling of NPF, offers insights for future campaign deployments, and demonstrates the effectiveness of ML in understanding the formation and growth of atmospheric aerosols.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Hydrogen production via reforming of biogas over nanostructured Ni/Y catalyst: Effect of ultrasound irradiation and Ni-content on catalyst properties and performance

Highlights: • Synthesis of nanostructured Ni/Y catalyst by sonochemical and impregnation methods. • Enhancement of size distribution and active phase dispersion by employing sonochemical method. • Evaluation of biogas reforming over Ni/Y catalyst with different Ni-loadings. • Preparation of highly active and stable catalyst with low Ni content for biogas reforming. • Getting H{sub 2}/CO very close to equilibrium ratio by employing sonochemical method. - Abstract: The effect of ultrasound irradiation and various Ni-loadings on dispersion of active phase over zeolite Y were evaluated in biogas reforming for hydrogen production. X-ray diffraction, field emission scanning electron microscopy, energy dispersive X-ray, Brunauer–Emmett–Teller, Fourier transform infrared analysis and TEM analysis were employed to observe the characteristics of nanostructured catalysts. The characterizations implied that utilization of ultrasound irradiation enhanced catalyst physicochemical properties including high dispersion of Ni on support, smallest particles size and high catalyst surface area. The reforming reactions were carried out at GHSV = 24 l/g.h, P = 1 atm, CH{sub 4}/CO{sub 2} = 1 and temperature range of 550–850 °C. Activity test displayed that ultrasound irradiated Ni(5 wt.%)/Y had the best performance and the activity remained stable during 600 min. Furthermore, the proposed reaction mechanism showed that there are three major reaction channels in biogas reforming.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Integrated Analyses of Multiple Worldwide Aerosol Mass Spectrometer Datasets for Improved Understanding of Aerosol Sources and Processes and for Comparison with Global Models

The AMS is the only current instrument that provides real-time, quantitative, and size-resolved data on submicron non-refractory aerosol species with a time resolution of a few minutes or better. The AMS field data are multidimensional and massive, containing extremely rich information on aerosol chemistry, microphysics and dynamics—basic information that is required to evaluate and quantify the radiative climate forcing of atmospheric aerosols. The high time resolution of the AMS data also reveals details of aerosol dynamic variations that are vital to understanding the physico-chemical processes of atmospheric aerosols that govern aerosol properties relevant to the climate. There are two primary objectives of this 3-year project. Our first objective is to perform highly integrated analysis of dozens of AMS datasets acquired from various urban, forested, coastal, marine, mountain peak, and rural/remote locations around the world and synthesize and inter-compare results with a focus on the sources and the physico-chemical processes that govern aerosol properties relevant to aerosol climate forcing. Our second objective is to support our collaboration with global aerosol modelers, in which we will supply the size-resolved aerosol composition and temporal variation data (via a public web interface) and our analysis results for use in model testing and validation and for translation of the rich AMS database into model constraints that can improve climate forcing simulations. Several prominent global aerosol modelers have expressed enthusiastic support for this collaboration. The specific tasks that we propose to accomplish include 1) to develop, validate, and apply multivariate analysis techniques for improved characterization and source apportionment of organic aerosols; 2) to evaluate aerosol source regions and relative contributions based on back-trajectory integration (PSCF method); 3) to summarize and synthesize submicron aerosol information, including composition, concentration, size distribution and (inferred) shape and mixing state in various environments and their regional and seasonal variations within the context of regional and global modeling; and 4) to quantitatively evaluate important processes in various atmospheric environments and during different seasons, focusing on acid-catalyzed SOA formation, new particle growth, and photochemical processes of atmospheric organic aerosols (i.e., SOA production and POA oxidation). We will also examine the correlations and compile the ratios between important pairs of aerosol and gas phase species using region-specific and season-specific correlations and as a function of photochemical age and compare them with the ratios produced by various models. To enable our collaborations with the modelers, we will supply (via a public web interface) AMS data and our analysis results for use in model testing and validation and facilitate the use of the AMS information to constrain calculations of radiative forcing. Model output and AMS measurements and derived parameters will be compared with a focus on regional variability of model/measurement discrepancies and their causes. Finally we will share results, insights and data mining algorithms through peer-reviewed publications, presentations/tutorials at conferences/workshops, and web dissemination of analysis results and in-house developed software packages.

58 GEOSCIENCES↗
DOE OSTI2020

A self-supervised workflow for particle picking in cryo-EM

High-resolution single-particle cryo-EM data analysis relies on accurate particle picking. To facilitate the particle picking process, a self-supervised workflow has been developed. This includes an iterative strategy, which uses a 2D class average to improve training particles, and a progressively improved convolutional neural network for particle picking. To automate the selection of particles, a threshold is defined (%/Res) using the ratio of percentage class distribution and resolution as a cutoff. This workflow has been tested using six publicly available data sets with different particle sizes and shapes, and can automatically pick particles with minimal user input. The picked particles support high-resolution reconstructions at 3.0 Å or better. This workflow is a step towards automated single-particle cryo-EM data analysis at the stage of particle picking. It may be used in conjunction with commonly used single-particle analysis packages such as Relion , cryoSPARC , cisTEM , SPHIRE and EMAN2 .

2D class averages↗
NASA NTRS1975

Integrated investigation of the mixed origin of lunar sample 72161,11

The comminution-agglutination model and the solar-wind implantation-retention model are used to postulate the origins of the particulate components of lunar sample (72161,11), a submillimeter fraction of a surface sample for the dark mantle regolith at LRV-3. Grain-size analysis was performed by wet sieving with liquid argon, and analyses for CO2, CO, CH4, and H2 were carried out by stepwise pyrolysis in a helium atmosphere. The results indicate that the present sample is from a mature regolith, but the agglutinate content is only 30% in the particle-size range between 90 and 177 microns, indicating an apparent departure from steady state. Analyses of the carbon, methane, and hydrogen concentrations in size fractions larger than 149 microns show that the volume-correlated component of these species increases with increased grain size. It is suggested that the observed increase can be explained in terms of mixing of a dominant local population of coarser agglutinates having high carbon and hydrogen concentrations with an imported population of finer agglutinates relatively poor in carbon and hydrogen.

Basu, A.↗
DOE OSTI2016

29 mm Diameter Test Target Design Report

The Northstar target for Mo99 production is made up of Mo100 disks in a stack separated by coolant gaps for helium flow. A number of targets have been tested at ANL for both production of Mo99 and for thermal-hydraulic performance. These have all been with a 12 mm diameter target, even while the production goals have increased the diameter to now 29 mm. A 29 mm diameter target has been designed that is consistent with the ANL beam capabilities and the capabilities of the helium circulation system currently in use at ANL. This target is designed for 500 μA at 35 MeV electrons. While the plant design calls for 42 MeV, the chosen design point is more favorable and higher power given the limits of the ANL accelerator. The intended beam spot size is 12 mm FWHM, but the thermal analysis presented herein conservatively assumed a 10 mm FWHM beam, which results in a 44% higher beam current density at beam center.

43 PARTICLE ACCELERATORS↗