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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Global Characteristics of Observable Foreshocks for Large Earthquakes

Abstract Foreshocks are the only currently widely identified precursory seismic behavior, yet their utility and even identifiability are problematic, in part because of extreme variation in behavior. Here, we establish some global trends that help identify the expected frequency of foreshocks as well the type of earthquake most prone to foreshocks. We establish these tendencies using the global earthquake catalog of the U.S. Geological Survey National Earthquake Information Center with a completeness level of magnitude 5 and mainshocks with Mw≥7.0. Foreshocks are identified using three clustering algorithms to address the challenge of distinguishing foreshocks from background activity. The methods give a range of 15%–43% of large mainshocks having at least one foreshock but a narrower range of 13%–26% having at least one foreshock with magnitude within two units of the mainshock magnitude. These observed global foreshock rates are similar to regional values for a completeness level of magnitude 3 using the same detection conditions. The foreshock sequences have distinctive characteristics with the global composite population b-values being lower for foreshocks than for aftershocks, an attribute that is also manifested in synthetic catalogs computed by epidemic-type aftershock sequences, which intrinsically involves only cascading processes. Focal mechanism similarity of foreshocks relative to mainshocks is more pronounced than for aftershocks. Despite these distinguishing characteristics of foreshock sequences, the conditions that promote high foreshock productivity are similar to those that promote high aftershock productivity. For instance, a modestly higher percentage of interplate mainshocks have foreshocks than intraplate mainshocks, and reverse faulting events slightly more commonly have foreshocks than normal or strike-slip-faulting mainshocks. The western circum-Pacific is prone to having slightly more foreshock activity than the eastern circum-Pacific.

Geochemistry & Geophysics↗
DOE OSTI2019

WASP-4b Arrived Early for the TESS Mission

The Transiting Exoplanet Survey Satellite (TESS) recently observed 18 transits of the hot Jupiter WASP-4b. The sequence of transits occurred 81.6 ± 11.7 s earlier than had been predicted, based on data stretching back to 2007. This is unlikely to be the result of a clock error, because TESS observations of other hot Jupiters (WASP-6b, 18b, and 46b) are compatible with a constant period, ruling out an 81.6 s offset at the 6.4σ level. The 1.3 day orbital period of WASP-4b appears to be decreasing at a rate of P-dot =−12.6±1.2 ms per year. The apparent period change might be caused by tidal orbital decay or apsidal precession, although both interpretations have shortcomings. The gravitational influence of a third body is another possibility, though at present there is minimal evidence for such a body. Further observations are needed to confirm and understand the timing variation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The Initial Mass Function of the Inner Galaxy Measured from OGLE-III Microlensing Timescales

We use the timescale distribution of ∼3000 microlensing events measured by the OGLE-III survey, together with accurate new made-to-measure dynamical models of the Galactic bulge/bar region, to measure the IMF in the inner Milky Way. The timescale of each event depends on the mass of the lensing object, together with the relative distances and velocities of the lens and source. The dynamical model statistically provides these distances and velocities, allowing us to constrain the lens mass function, and thereby infer the IMF. Parameterizing the IMF as a broken power-law, we find slopes in the main-sequence α{sub ms}=1.31±0.10|{sub stat}±0.10|{sub sys}, and brown dwarf region α{sub bd}=−0.7±0.9|{sub stat}±0.8|{sub sys}, where we use a fiducial 50% binary fraction, and the systematic uncertainty covers the range of binary fractions 0%–100%. Similarly, for a log-normal IMF we conclude M{sub c}=(0.17±0.02|{sub stat}±0.01|{sub sys}) M{sub ⊙} and σ{sub m}=0.49±0.07|{sub stat}±0.06|{sub sys}. These values are very similar to a Kroupa or Chabrier IMF, respectively, showing that the IMF in the bulge is indistinguishable from that measured locally, despite the lenses lying in the inner Milky Way where the stars are mostly ∼10 Gyr old and formed on a fast α-element enhanced timescale. This therefore constrains models of IMF variation that depend on the properties of the collapsing gas cloud.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1977

Physical conditions in the solar corona during flarelike events

Soft X-ray images of the sun obtained with the S-056 telescope aboard Skylab are used to investigate physical conditions in the X-ray-emitting coronal plasma during flarelike events. Temporal and spatial variations in the density and temperature of the main X-ray source during a flare are determined along with the total radiative energy emitted by an observed loop system. Models for heat sources and energy balance are analyzed, radiative as well as conductive energy losses are computed, and an attempt is made to develop a self-consistent model of the observed X-ray event. It is concluded that: (1) loop tips constitute the source of the maximum X-ray flux; (2) conductive losses exceed radiative losses by several orders of magnitude; (3) energy (and possibly new matter) is added at loop tips; and (4) the most intense X-ray structures are located in areas where the magnetic field has a small radius of curvature and the axis of a loop sequence changes direction.

Vorpahl, J. A.↗
NASA NTRSDate not supplied

Nonlinear Buckling Analysis of Tow-Steered Composite Cylinders with Cutouts

The buckling and postbuckling behavior of two composite tow-steered shells with cutouts of different sizes is assessed using nonlinear finite element (FE) analysis and compared to experimental measurements. The cylindrical shells are manufactured using an automated fiber placement system, where the shells’ fiber orientation angles vary continuously around the shell circumference from ±10 degrees on the crown and keel to ±45 degrees on the sides. One shell features thickness variations due to tow overlaps that result from application of all 24 tows during each pass of the fiber placement system. The second shell uses the system’s tow drop/add capability to achieve a more uniform wall thickness without overlaps. Unreinforced cutouts of two different sizes—the first smaller cutout representing a passenger door on a commercial aircraft and the second larger cutout a cargo door—were machined into each of the two cylinders resulting in a total of four test cases. These cylinders were tested in axial compression and buckled elastically in previous work and are now analyzed using nonlinear FE models to compare bifurcation buckling loads as well as the load-displacement response in the prebuckling and postbuckling regimes. For all four shells analyzed, the prebuckling stiffness, buckling load, and deformation mode sequence throughout the loading-unloading cycle is accurately reproduced by the models. In particular, the shells first buckle locally around the cutouts in a stable (super-critical) manner with only a slight decrease in axial stiffness, which occurs due to the favorable load redistribution facilitated by tow steering. The shells then buckle globally in an unstable (sub-critical) manner with diamond-shaped buckles forming to the left and right of the cutouts. The buckling load of all shells with cutouts is at least 82% of the buckling load of the pristine shells without cutouts. Overall, the ability to sustain local buckling phenomena, and the relatively small reductions in global buckling load compared to pristine shells without cutouts, demonstrates the great potential of using tow steering to mitigate the adverse effects of cutouts in axially-compressed shell structures.

composites↗
NASA NTRSDate not supplied

Nonlinear Buckling Analysis of Tow-Steered Composite Cylinders with Cutouts

The buckling and postbuckling behavior of two composite tow-steered shells with cutouts of different sizes is assessed using nonlinear finite element (FE) analysis and compared to experimental measurements. The cylindrical shells are manufactured using an automated fiber placement system, where the shells’ fiber orientation angles vary continuously around the shell circumference from 10 degrees on the crown and keel to 45 degrees on the sides. One shell features thickness variations due to tow overlaps that result from application of all 24 tows during each pass of the fiber placement system. The second shell uses the system’s tow drop/add capability to achieve a more uniform wall thickness without overlaps. Unreinforced cutouts of two different sizes—the first smaller cutout representing a passenger door on a commercial aircraft and the second larger cutout a cargo door—were machined into each of the two cylinders resulting in a total of four test cases. These cylinders were tested in axial compression and buckled elastically in previous work and are now analyzed using nonlinear FE models to compare bifurcation buckling loads as well as the load-displacement response in the prebuckling and postbuckling regimes. For all four shells analyzed, the prebuckling stiffness, buckling load, and deformation mode sequence throughout the loading-unloading cycle is accurately reproduced by the models. In particular, the shells first buckle locally around the cutouts in a stable (super-critical) manner with only a slight decrease in axial stiffness, which occurs due to the favorable load redistribution facilitated by tow steering. The shells then buckle globally in an unstable (sub-critical) manner with diamond-shaped buckles forming to the left and right of the cutouts. The buckling load of all shells with cutouts is at least 82% of the buckling load of the pristine shells without cutouts. Overall, the ability to sustain local buckling phenomena, and the relatively small reductions in global buckling load compared to pristine shells without cutouts, demonstrates the great potential of using tow steering to mitigate the adverse effects of cutouts in axially-compressed shell structures.

Buckling↗
DOE OSTI2016

YOUNG STELLAR CLUSTERS CONTAINING MASSIVE YOUNG STELLAR OBJECTS IN THE VVV SURVEY

The purpose of this research is to study the connections of the global properties of eight young stellar clusters projected in the Vista Variables in the Via Lactea (VVV) ESO Large Public Survey disk area and their young stellar object (YSO) populations. The analysis is based on the combination of spectroscopic parallax-based reddening and distance determinations with main-sequence and pre-main-sequence ishochrone fitting to determine the basic parameters (reddening, age, distance) of the sample clusters. The lower mass limit estimations show that all clusters are low or intermediate mass (between 110 and 1800 M {sub ⊙}), the slope Γ of the obtained present-day mass functions of the clusters is close to the Kroupa initial mass function. The YSOs in the cluster’s surrounding fields are classified using low resolution spectra, spectral energy distribution fits with theoretical predictions, and variability, taking advantage of multi-epoch VVV observations. All spectroscopically confirmed YSOs (except one) are found to be massive (more than 8 M {sub ⊙}). Using VVV and GLIMPSE color–color cuts we have selected a large number of new YSO candidates, which are checked for variability and 57% are found to show at least low-amplitude variations. In few cases it was possible to distinguish between YSO and AGB classifications on the basis of light curves.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Single‐Cell Nanodroplet Processing Proteomics Pipeline for Analysis of Human‐Derived Microglia

Single-cell omics tools provide unique insights into heterogeneous cell populations and their responses to stimuli. For example, single-cell RNA sequencing has identified several transcriptionally distinct populations of microglia, which are resident immune cells of the central nervous system (CNS) that are responsive to CNS injury, infection, and neurodegeneration. To date, single-cell studies of microglia have focused on RNA-sequencing or cytometry by time of flight (CyTOF), which provide indirect readouts of protein abundance or quantification of a limited number of targets. Herein, we present a workflow based on FACS-assisted isolation, cryopreservation, and nanodroplet-based processing for single-cell mass spectrometry proteomics analysis of the postmortem human brain cortex-derived microglia. From a single microglial cell, 1039 proteins could be identified on average. As a proof-of-principle, we applied single-cell proteomics for exploring the heterogeneity of brain microglia at the cellular level. This pilot proteomics data partially recapitulates the prior microglia subtypes. Specifically, we determined that mitochondrial proteins, in particular members of NADH dehydrogenase (Complex I), cytochrome b-c1 (Complex III), cytochrome c oxidase (Complex IV), F1-ATPase (Complex V), and Na+/K+-ATPase complex, drive variation across microglia. This pipeline offers the potential for identifying functionally and analytically relevant protein targets for microglia in Alzheimer's disease and other neurological disorders.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Automated theoretical chemical kinetics: Predicting the kinetics for the initial stages of pyrolysis

Large scale implementation of high level computational theoretical chemical kinetics offers the prospect for dramatically improving the fidelity of combustion chemical modeling. To facilitate such efforts, we have developed a suite of codes, collectively referred to as AutoMech, that allow for the automatic prediction of the kinetics for large sets of reactions via ab initio transition-state-theory based master-equation calculations. The primary input is simply the mechanism, a dictionary relating chemically identifiable species descriptors (e.g., SMILES or InChIs) to species labels in the mechanism, and a specification of the electronic structure and transition state theory models to be implemented. Here we illustrate the current utility of AutoMech through a study of the initial stages of pyrolysis for 3 sets of fuels: sequences of alkanes, alcohols, and aldehydes. For simplicity, the analysis focuses on abstractions from the fuel by H, CH 3 , and OH, and the decomposition of the resulting radicals. Altogether, there are a total of 166 input channels in these sets (more than 363 forward reactions when expanded to the full set of elementary reactions). The code successfully produces high quality rate estimates (with apparent uncertainties less than a factor of two in limited comparisons with experiment) for > 95% of these. For the radical decomposition reactions, the analysis includes predictions for the pressure dependence of the kinetics. This wide-ranging exploration illustrates (i) the effect of different levels of prediction on the expected accuracy, (ii) the branching between abstractions at different sites for different abstractors, (iii) the dependence of the rates on the chemical structure, and (iv) the variation in radical stabilities across chemical families. These results, as well as the demonstrated feasibility of the methodology, should find further utility in the development of accurate rate expressions for arbitrary fuels. (c) 2020 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Elliott, Sarah N.↗
DOE OSTI2016

Size Matters: Assessing Optimum Soil Sample Size for Fungal and Bacterial Community Structure Analyses Using High Throughput Sequencing of rRNA Gene Amplicons

We examined the effect of different soil sample sizes obtained from an agricultural field, under a single cropping system uniform in soil properties and aboveground crop responses, on bacterial and fungal community structure and microbial diversity indices. DNA extracted from soil sample sizes of 0.25, 1, 5, and 10 g using MoBIO kits and from 10 and 100 g sizes using a bead-beating method (SARDI) were used as templates for high-throughput sequencing of 16S and 28S rRNA gene amplicons for bacteria and fungi, respectively, on the Illumina MiSeq and Roche 454 platforms. Sample size significantly affected overall bacterial and fungal community structure, replicate dispersion and the number of operational taxonomic units (OTUs) retrieved. Richness, evenness and diversity were also significantly affected. The largest diversity estimates were always associated with the 10 g MoBIO extractions with a corresponding reduction in replicate dispersion. For the fungal data, smaller MoBIO extractions identified more unclassified Eukaryota incertae sedis and unclassified glomeromycota while the SARDI method retrieved more abundant OTUs containing unclassified Pleosporales and the fungal genera Alternaria and Cercophora. Overall, these findings indicate that a 10 g soil DNA extraction is most suitable for both soil bacterial and fungal communities for retrieving optimal diversity while still capturing rarer taxa in concert with decreasing replicate variation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Genomic and phenotypic characterization of multidrug-resistant Salmonella enterica serovar Reading isolates involved in a turkey-associated foodborne outbreak

Salmonella is a global bacterial foodborne pathogen associated with a variety of contaminated food products. Poultry products are a common source of Salmonella -associated foodborne illness, and an estimated 7% of human illnesses in the United States are attributed to turkey products. From November 2017 to March 2019, the Centers for Disease Control and Prevention reported a turkey-associated outbreak of multidrug-resistant (MDR; resistant to ≥3 antimicrobial classes) Salmonella enterica serovar Reading ( S . Reading) linked to 358 human infections in 42 US states and Canada. Since S . Reading was seldom linked to human illness prior to this outbreak, the current study compared genomic sequences of S . Reading isolates prior to the outbreak (pre-outbreak) to isolates identified during the outbreak period, focusing on genes that were different between the two groups but common within a group. Following whole-genome sequence analysis of five pre-outbreak and five outbreak-associated turkey/turkey product isolates of S . Reading, 37 genes located within two distinct chromosomal regions were identified only in the pre-outbreak isolates: (1) an ~5 kb region containing four protein-coding genes including uidA which encodes beta-glucuronidase, pgdA encoding peptidoglycan deacetylase, and two hypothetical proteins and (2) an ~28 kb region comprised of 32 phage-like genes and the xerC gene, which encodes tyrosine recombinase (frequently associated with phage genes). The five outbreak isolates also had a deletional event within the cirA gene, introducing a translational frame shift and premature stop codon. The cirA gene encodes a protein with dual receptor functions: a siderophore receptor for transport of dihydroxybenzoylserine as well as a colicin Ia/b receptor. Significant differences for the identified genetic variations were also detected in 75 S . Reading human isolates. Of the 41 S . Reading isolates collected before or in 2017, 81 and 90% of the isolates contained the uidA and pgdA genes, respectively, but only 24% of the isolates collected after 2017 harbored the uidA and pgdA genes. The truncation event within the cirA gene was also significantly higher in isolates collected after 2017 (74%) compared to before or in 2017 (5%). Phenotypic analysis of the S . Reading isolates for colicin and cefiderocol sensitivities (CirA) and β-methyl-D-glucuronic acid utilization (UidA and accessory proteins) supported the genomic data. Overall, a similar genome reduction pattern was generally observed in both the turkey and human isolates of S . Reading during the outbreak period, and the genetic differences were present in genes that could potentially promote pathogen dissemination due to variation in Salmonella colonization, fitness, and/or virulence.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

MESA Isochrones and Stellar Tracks (MIST). III. The White Dwarf Cooling Sequence

We present a substantial update to the MESA Isochrones and Stellar Tracks (MIST) library, extending the MIST model grids and isochrones down the white dwarf (WD) cooling sequence with realistic physics for WD cooling timescales. This work provides a large grid of MESA models for carbon–oxygen core WDs with hydrogen atmospheres (spectral type DA/DC), descended from full prior stellar evolution calculations. The model tracks, isochrones, and WD cooling timescale contours are available on the MIST project website and at doi:10.5281/zenodo.15242047. Our WD models provide a very large, publicly available grid with detailed physics for WD cooling timescales: realistic interior and envelope compositions, with element diffusion and heavy-element sedimentation, nuclear burning at the base of the WD hydrogen envelope, core crystallization, and C/O phase separation. As a large grid of open-source stellar evolution models, these WD models provide both out-of-the-box model tracks for comparison with observations and a framework for building further WD models to investigate variations in WD physics.

Astronomy and AstroPhysics↗
DOE OSTI2024

Genomic profiles of four novel cyanobacteria MAGs from Lake Vanda, Antarctica: insights into photosynthesis, cold tolerance, and the circadian clock

Cyanobacteria in polar environments face environmental challenges, including cold temperatures and extreme light seasonality with small diurnal variation, which has implications for polar circadian clocks. However, polar cyanobacteria remain underrepresented in available genomic data, and there are limited opportunities to study their genetic adaptations to these challenges. This paper presents four new Antarctic cyanobacteria metagenome-assembled genomes (MAGs) from microbial mats in Lake Vanda in the McMurdo Dry Valleys in Antarctica. The four MAGs were classified as Leptolyngbya sp. BulkMat.35, Pseudanabaenaceae cyanobacterium MP8IB2.15, Microcoleus sp. MP8IB2.171, and Leptolyngbyaceae cyanobacterium MP9P1.79. The MAGs contain 2.76 Mbp – 6.07 Mbp, and the bin completion ranges from 74.2–92.57%. Furthermore, the four cyanobacteria MAGs have average nucleotide identities (ANIs) under 90% with each other and under 77% with six existing polar cyanobacteria MAGs and genomes. This suggests that they are novel cyanobacteria and demonstrates that polar cyanobacteria genomes are underrepresented in reference databases and there is continued need for genome sequencing of polar cyanobacteria. Analyses of the four novel and six existing polar cyanobacteria MAGs and genomes demonstrate they have genes coding for various cold tolerance mechanisms and most standard circadian rhythm genes with the Leptolyngbya sp. BulkMat.35 and Leptolyngbyaceae cyanobacterium MP9P1.79 contained kaiB3, a divergent homolog of kaiB.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Delayed access to feed early post-hatch affects the development and maturation of gastrointestinal tract microbiota in broiler chickens

Background: The first two weeks of post-hatch (PH) growth in broilers (meat-type birds) are critical for gut development and microbiota colonization. In the current broiler production system, chicks may not receive feed and water for 24 to 72 h due to variations in hatching time and hatchery management. Post-hatch feed delay affects body weight, feed efficiency, mortality, and gut development. The goal of this study was to investigate changes in the microbiome in broiler chickens early PH and the effect of delayed access to feed on the microbiota. Results: Chicks either received feed and water immediately after hatch or access to feed was delayed for 48 h to mimic commercial hatchery settings (treatment, TRT). Both groups were sampled (n = 6) at -48, 0, 4 h, and 1 (24 h), 2 (48 h), 3 (72 h), 4 (96 h), 6 (144 h), 8 (192 h), 10 (240 h), 12 (288 h) and 14 (336 h) days PH. Ileal (IL) and cecal (CE) epithelial scrapings (mucosal bacteria, M) and digesta (luminal bacteria, L) were collected for microbiota analysis. Microbiota was determined by sequencing the V3-V4 region of bacterial 16S rRNA and analyzed using QIIME2. The microbiota of early ileal and cecal samples were characterized by high abundance of unclassified bacteria. Among four bacterial populations (IL-L, IL-M, CE-L, CE-M), IL-M was the least affected by delayed access to feed early PH. Both alpha and beta diversities were affected by delayed access to feed PH in IL-L, CE-M and CE-L. However, the development effect was more pronounced. In all four bacterial populations, significant changes due to developmental effect (time relative to hatch) was observed in taxonomic composition, with transient changes of bacterial taxa during the first two weeks PH. Delayed access to feed has limited influence on bacterial composition with only a few genera and species affected in all four bacterial populations. Predicted function based on 16S rRNA was also affected by delayed access to feed PH with most changes in metabolic pathway richness observed in IL-L, CE-L and CE-M. Conclusions: These results show transient changes in chicken microbiota biodiversity during the first two weeks PH and indicate that delayed access to feed affects microbiota development. Proper microbiota development could be an important factor in disease prevention and antibiotic use in broiler chickens. Moreover, significant differences in response to delayed access to feed PH between luminal and mucosal bacterial populations strongly suggests the need for separate analysis of these two populations.

16S↗
DOE OSTI2025

A simple introduction to the SiMPL method for density-based topology optimization

We introduce a novel method for solving density-based topology optimization problems: Sigmoidal Mirror descent with a Projected Latent variable (SiMPL). The SiMPL method (pronounced as “the simple method”) optimizes a design using only first-order derivative information of the objective function. The bound constraints on the density field are enforced with the help of the (negative) Fermi–Dirac entropy, which is also used to define a non-symmetric distance function called a Bregman divergence on the set of admissible designs. This Bregman divergence leads to a simple update rule that is further simplified with the help of a so-called latent variable. Because the SiMPL method involves discretizing the latent variable, it produces a sequence of pointwise-feasible iterates, even when high-order finite elements are used in the discretization. Numerical experiments demonstrate that the method outperforms other popular first-order optimization algorithms. In conclusion, to outline the general applicability of the technique, we include examples with (self-load) compliance minimization and compliant mechanism optimization problems.

Calculus of Variations and Optimization↗
DOE OSTI2023

Quantifying the Variation in the Number of Donors in Quantum Dots Created Using Atomic Precision Advanced Manufacturing

Atomic-precision advanced manufacturing enables unique silicon quantum electronics built on quantum dots fabricated from small numbers of phosphorus dopants. The number of dopant atoms comprising a dot plays a central role in determining the behavior of charge and spin confined to the dots and thus overall device performance. Here in this work, we use both theoretical and experimental techniques to explore the combined impact of lithographic variation and stochastic kinetics on the number of P incorporations in quantum dots made using these techniques and how this variation changes as a function of the size of the dot. Using a kinetic model of PH3 dissociation augmented with novel reaction barriers, we demonstrate that for a 2 × 3 silicon dimer window the probability that no donor incorporates goes to zero, allowing for certainty in the placement of at least one donor. However, this still comes with some uncertainty in the precise number of incorporated donors (either one or two), and this variability may still impact certain applications. We also examine the impact of the size of the initial lithographic window, finding that the incorporation fraction saturates to δ-layer-like coverage as the circumference-to-area ratio decreases. We predict that this incorporation fraction depends strongly on the dosage of the precursor and that the standard deviation of the number of incorporations scales as ~√n, as would be expected for a sequence of largely independent incorporation events. Finally, we characterize an array of 36 experimentally prepared multidonor 3 × 3 nm lithographic windows with scanning tunneling microscopy, measuring the fidelity of the lithography to the desired array and the final location of PH x fragments within these lithographic windows. We use our kinetic model to examine the expected variability due to the observed lithographic error, predicting a negligible impact on incorporation statistics. We find good agreement between our model and the inferred incorporation locations in these windows from scanning tunneling microscope measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Investigations of Desert Dust and Smoke in the North Atlantic in Support of the TOMS Instrument

During the initial period of the work we concentrated on Saharan dust storms and published a sequence of papers (Colarco et a1 2002,2003a,b, Toon, 2004). The U.S. Air Force liked the dust model so well that they appropriated it for operational dust storm forecasting (Barnum et al., 2004). The Air Force has used it for about 5 yrs in the Middle East where dust storms cause significant operational problems. The student working on this project, Peter Colarco, has graduated and is now a civil servant at Goddard where he continues to interact with the TOMS team. This work helped constrain the optical properties of dust at TOMS wavelengths, which is useful for climate simulations and for TOMS retrievals of dust properties such as optical depth. We also used TOMS data to constrain the sources of dust in Africa and the Middle East, to determine the actual paths taken by Saharan dust storms, to learn more about the mechanics of variations in the optical depths, and to learn more about the mechanisms controlling the altitudes of the dust. During the last two years we have been working on smoke from fires. Black carbon aerosols are one of the leading factors in radiative forcing. The US Climate Change Science Program calls this area out for specific study. It has been suggested by Jim Hansen, and Mark Jacobsen among others, that by controlling emissions of black carbon we might reduce greenhouse radiative forcing in a relatively painless manner. However, we need a greatly improved understanding of the amount of black carbon in the atmosphere, where it is located, where it comes from, how it is mixed with other particles, what its actual optical properties are, and how it evolves. In order to learn about these issues we are using a numerical model of smoke. We have applied this model to the SAFARI field program data, and used the TOMS satellite observations in that period (Sept. 2000). Our goal is to constrain source function estimates for black carbon, and smoke optical properties.

Toon, Owen B.↗
DOE OSTI2026

Dissecting Disorder: Defect-Driven Structural Complexity in Layered Li3InCl6 Solid Electrolyte

Halide solid electrolytes have emerged as promising candidates for solid-state batteries owing to their high oxidative stability and ionic conductivity. Among them, Li3InCl6 (LIC) has attracted significant attention. However, diffraction patterns of LIC synthesized via different methods exhibit distinct differences particularly at low-angle reflectionsindicative of underlying structural disorder. These variations are attributed to deviations from ideal crystallographic order, especially stacking faults, whose impact on structure and ion transport remains poorly understood. Here, we identify and quantify stacking faults in LIC samples prepared under different synthetic conditions. Using X-ray diffraction and time-of-flight neutron diffraction, we construct and refine stacking fault models that accurately reproduce the experimental diffraction features. LIC samples with higher degrees of stacking faults exhibit only negligible differences in ionic conductivities and activation energies. This indicates that stacking faults have a limited impact on altering the Li+ diffusion pathway along the c-axis, likely due to the high concentration of vacancies in the In layers, while Li+ diffusion remains nearly unchanged in the ab-plane. Our results account for the observed differences in diffraction patterns across samples and provide a quantitative assessment of faulting probabilities and stacking sequences. The insights gained from this study are expected to be broadly applicable to other layered halide solid electrolytes and contribute to a deeper understanding of the role of structural disorder in ion transport.

Liu, Jue [ORNL] (ORCID:000000024453910X)↗