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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A Hybrid Index for Characterizing Drought Based on a Nonparametric Kernel Estimator

This study develops a nonparametric multivariate drought index, namely, the nonparametric multivariate standardized drought index (NMSDI), by considering the variations of both precipitation and streamflow. Building upon previous efforts in constructing nonparametric multivariate drought index, the nonparametric kernel estimator is used to derive the joint distribution of precipitation and streamflow, thus providing additional insights into drought-index development. The proposed NMSDI is applied in the Wei River basin (WRB), on the basis of which the drought-evolution characteristics are investigated. Three main results were found: 1) In general, NMSDI captures drought onset in a way that is similar to that of the standardized precipitation index and captures drought termination and persistence in a way that is similar to that of the standardized streamflow index. We report the drought events identified by NMSDI match well with historical drought records in the WRB. Performance is also consistent with that of an existing multivariate standardized drought index at various time scales, confirming the validity of the newly constructed NMSDI in drought detections. 2) An increasing risk of drought has been detected for past decades and will persist to a certain extent in the future in most areas of the WRB. 3) The identified changepoints of annual NMSDI are mainly concentrated in the early 1970s and mid-1990s, coincident with extensive water use and soil conservation practices. In summary, this study highlights a nonparametric multivariable drought index that can efficiently and comprehensively be used for drought detections and predictions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

One-Dimensional Electron Gas Confined along Nanowrinkles in a Unidirectional Charge Density Wave Material

Two-dimensional (2D) materials inherently exhibit instabilities. Structurally, this may lead to modulations along the third dimension, e.g., wrinkles. Electronically, 2D instabilities can manifest themselves as charge density waves (CDWs). Although wrinkles can alter anisotropic electronic structures susceptible to forming CDWs, less is known about their impact on broken-symmetry ground states. Here, in this study, using scanning tunneling microscopy and spectroscopy, we investigate the CDW states on the wrinkled surface of DyTe 3 . We identify elongated, parallel nanoscale wrinkles stabilized by ribbon-shaped defects. Interestingly, the CDW order persists across the nanowrinkles with a gradual phase shift but is locally suppressed near the defects, where phase windings occur. In addition, these defects induce quantum confinement effects along the nanowrinkles, indicating the presence of one-dimensional metallic states with hole- like dispersion, while angle-resolved photoemission spectroscopy identifies a gap along the wrinkle direction. We ascribe this discrepancy to strain-induced changes in the Fermi surface, which lead to the closure of the gap at the sites of the nanowrinkles. Taken together, our results underscore the complex interplay between structural features and Fermi surface topology, allowing for the deliberate manipulation of quantum states in strongly correlated systems via local crystal deformations.

nanowrinkles↗
DOE OSTI2021

Measuring Young Stars in Space and Time. II. The Pre-main-sequence Stellar Content of N44

The Hubble Space Telescope survey Measuring Young Stars in Space and Time (MYSST) entails some of the deepest photometric observations of extragalactic star formation, capturing even the lowest-mass stars of the active star-forming complex N44 in the Large Magellanic Cloud. We employ the new MYSST stellar catalog to identify and characterize the content of young pre-main-sequence (PMS) stars across N44 and analyze the PMS clustering structure. To distinguish PMS stars from more evolved line of sight contaminants, a non-trivial task due to several effects that alter photometry, we utilize a machine-learning classification approach. This consists of training a support vector machine (SVM) and a random forest (RF) on a carefully selected subset of the MYSST data and categorize all observed stars as PMS or non-PMS. Combining SVM and RF predictions to retrieve the most robust set of PMS sources, we find ∼26,700 candidates with a PMS probability above 95% across N44. Employing a clustering approach based on a nearest neighbor surface density estimate, we identify 16 prominent PMS structures at 1σ significance above the mean density with sub-clusters persisting up to and beyond 3σ significance. The most active star-forming center, located at the western edge of N44's bubble, is a subcluster with an effective radius of ∼5.6 pc entailing more than 1100 PMS candidates. Furthermore, we confirm that almost all identified clusters coincide with known H ii regions and are close to or harbor massive young O stars or YSOs previously discovered by MUSE and Spitzer observations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Quantification of Brønsted Acid Sites in Zeolites by Water Desorption Thermogravimetry

The many studies that have been conducted on water adsorption on zeolites were carried out in “adsorption” mode, from adsorption isotherms or single-point measurements, with the samples being first degassed at high temperature, and then exposed to water vapor at variable partial pressure. Here, we report Thermogravimetric Analysis (TGA) studies of HZSM-5 saturated with water at room temperature, thus studying water adsorption in “desorption” mode. In this work, TGA was used to ascertain the amount of water remaining as a function of the pretreatment temperature, and to identify the temperature at which one water molecule per framework Al atom persists. Solid-state 1H NMR spectroscopy, combined with molecular modeling, provided evidence for water molecules hydrogen bonded to Brønsted acid sites and formation of oxonium species for distinct water per framework Al atom. TGA is shown to be a simple and expeditious technique to measure the number of Brønsted acid sites in aluminosilicate zeolites, with advantages over the traditional methods of IR or TPD of dangerous adsorbed ammonia or pyridine. TGA of adsorbed water also provides information on the water clusters formed at the acid sites of HZSM-5, which are proportional to the number of acid sites.

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

Structural Changes and Reversibility Upon Deintercalation of Li from LiCoPO 4 Derivatives

In an effort to improve the cycle life and rate capability of olivine LiCoPO 4 , Cr, Fe, and Si were added to produce nominal Li 1.025 Co 0.84 Fe 0.10 Cr 0.05 Si 0.01 (PO 4 ) 1.025 . This cathode material has an energy density comparable to LiCoPO 4 , with markedly improved electrochemical performance. Here, we apply operando X-ray diffraction to gain an understanding of the crystallographic delithiation mechanism of this new substituted electrode material, compared to both LiCo 0.75 Fe 0.25 PO 4 and LiCo 0.75 Fe 0.25 PO 4 . Throughout charging, the extent of solid-solution domains was significantly increased in Li 1.025 Co 0.84 Fe 0.10 Cr 0.05 Si 0.01 (PO 4 ) 1.025 and LiCo 0.75 Fe 0.25 PO 4 compared to LiCoPO 4 . These domains reduce the mechanical strain during electrode function, providing a clear explanation for the high durability with Co substitution. Li 1.025 Co 0.84 Fe 0.10 Cr 0.05 Si 0.01 (PO 4 ) 1.025 operated at notably higher average potential than LiCo 0.75 Fe 0.25 PO 4 , which would increase the energy density of the cell. Ex situ measurements reveal the persistence of structural irreversibilities in the substituted phase after the first cycle, identifying avenues for further improvement in durability. Overall, this finding sheds light on the strategies for judicious cation substitution in LiCoPO 4 electrodes to maximize the cycle life while preserving high energy density, especially compared to LiFePO 4 .

25 ENERGY STORAGE↗
DOE OSTI2014

Nuclear Deformation at Finite Temperature

Deformation, a key concept in our understanding of heavy nuclei, is based on a mean-field description that breaks the rotational invariance of the nuclear many-body Hamiltonian. Here, we present a method to analyze nuclear deformations at finite temperature in a framework that preserves rotational invariance. The auxiliary-field Monte-Carlo method is used to generate the statistical ensemble and calculate the probability distribution associated with the quadrupole operator. Applying the technique to nuclei in the rare-earth region, we identify model-independent signatures of deformation and find that deformation effects persist to higher temperatures than the spherical-to-deformed shape phase-transition temperature of mean-field theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Impact of neutrino flavor conversions on neutron star merger dynamics, ejecta, nucleosynthesis, and multimessenger signals

We present numerical relativity simulations of binary neutron star mergers incorporating neutrino flavor transformations triggered by fast flavor instability, quantum many-body effects, or potential beyond standard model physics. In both long-lived and short-lived remnant scenarios, neutrino flavor conversions modify species-dependent neutrino luminosities and mean energies, and drive the matter towards more neutron rich conditions. They produce up to more neutron rich ejecta and significantly boost the r-process yields, especially in low-density, near-equatorial outflows. We identify regions unstable to fast flavor instabilities and find that these instabilities persist despite flavor conversions. We further test the sensitivity to the equilibration timescale of the flavor conversions, finding that slower flavor conversions can interact with thermodynamic equilibration, and increase the neutron richness of the ejecta. Flavor conversions may also contribute to stronger gravitational wave and neutrino emissions, pointing to a correlation between neutrino transport and merger dynamics. Furthermore, these results highlight the potential impact of flavor conversions while motivating future work to improve on theoretical understanding of flavor instabilities in global simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Diabatic Eddy Forcing Increases Persistence and Opposes Propagation of the Southern Annular Mode in MERRA-2

Abstract As a dominant mode of jet variability on subseasonal time scales, the Southern Annular Mode (SAM) provides a window into how the atmosphere can produce internal oscillations on longer-than-synoptic time scales. While SAM’s existence can be explained by dry, purely barotropic theories, the time scale for its persistence and propagation is set by a lagged interaction between barotropic and baroclinic mechanisms, making the exact physical mechanisms challenging to identify and to simulate, even in latest generation models. By partitioning the eddy momentum flux convergence in MERRA-2 using an eddy–mean flow interaction framework, we demonstrate that diabatic processes (condensation and radiative heating) are the main contributors to SAM’s persistence in its stationary regime, as well as the key for preventing propagation in this regime. In SAM’s propagating regime, baroclinic and diabatic feedbacks also dominate the eddy–jet feedback. However, propagation is initiated by barotropic shifts in upper-level wave breaking and then sustained by a baroclinic response, leading to a roughly 60-day oscillation period. This barotropic propagation mechanism has been identified in dry, idealized models, but here we show evidence of this mechanism for the first time in reanalysis. The diabatic feedbacks on SAM are consistent with modulation of the storm-track latitude by SAM, altering the emission temperature and cloud cover over individual waves. Therefore, future attempts to improve the SAM time scale in models should focus on the storm-track location, as well as the roles of the cloud and moisture parameterizations. Significance Statement As they circumnavigate the planet, the tropospheric jet streams slowly drift north and south over about 30 days, longer than the normal limit of weather prediction. Understanding the source of this “memory” could improve our knowledge of how the atmosphere organizes itself and our ability to make long-term forecasts. Current theories have identified several possible internal atmospheric interactions responsible for this memory. Yet most of the theories for understanding the jets’ behavior assume that this behavior is only weakly influenced by atmospheric water vapor. We show that this assumption is not enough to understand jet persistence. Instead, clouds and precipitation are more important contributors in reanalysis data than internal “dry” mechanisms to this memory of the Southern Hemisphere jet.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Future loss of Arctic sea-ice cover could drive a substantial decrease in California’s rainfall [Seasonally ice-free Arctic favors dry California]

From 2012 to 2016, California experienced one of the worst droughts since the start of observational records. As in previous dry periods, precipitation-inducing winter storms were steered away from California by a persistent atmospheric ridging system in the North Pacific. Here in this paper we identify a new link between Arctic sea-ice loss and the North Pacific geopotential ridge development. In a two-step teleconnection, sea-ice changes lead to reorganization of tropical convection that in turn triggers an anticyclonic response over the North Pacific, resulting in significant drying over California. These findings suggest that the ability of climate models to accurately estimate future precipitation changes over California is also linked to the fidelity with which future sea-ice changes are simulated. We conclude that sea-ice loss of the magnitude expected in the next decades could substantially impact California’s precipitation, thus highlighting another mechanism by which human-caused climate change could exacerbate future California droughts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

An epigenetic gene silencing pathway selectively acting on transgenic DNA in the green alga Chlamydomonas

Abstract Silencing of exogenous DNA can make transgene expression very inefficient. Genetic screens in the model alga Chlamydomonas have demonstrated that transgene silencing can be overcome by mutations in unknown gene(s), thus producing algal strains that stably express foreign genes to high levels. Here, we show that the silencing mechanism specifically acts on transgenic DNA. Once a permissive chromatin structure has assembled, transgene expression can persist even in the absence of mutations disrupting the silencing pathway. We have identified the gene conferring the silencing and show it to encode a sirtuin-type histone deacetylase. Loss of gene function does not appreciably affect endogenous gene expression. Our data suggest that transgenic DNA is recognized and then quickly inactivated by the assembly of a repressive chromatin structure composed of deacetylated histones. We propose that this mechanism may have evolved to provide protection from potentially harmful types of environmental DNA.

Neupert, Juliane↗
DOE OSTI2023

How do North American weather regimes drive wind energy at the sub-seasonal to seasonal timescales?

Abstract There has been an increasing need for forecasting power generation at the subseasonal to seasonal (S2S) timescales to support the operation, management, and planning of the wind-energy system. At the S2S timescales, atmospheric variability is largely related to recurrent and persistent weather patterns, referred to as weather regimes (WRs). In this study, we identify four WRs that influence wind resources over North America using a universal two-stage procedure approach. These WRs are responsible for large-scale wind and power production anomalies over the CONUS at the S2S timescales. The WR-based reconstruction explains up to 40% of the monthly variance of power production over the western United States, and the explanatory power of WRs generally increases with the increase of timescales. The identified relationship between WRs and power production reveals the potential and limitations of the regional WR-based wind resource assessment over different regions of the CONUS across multiple timescales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Regional Oscillation Source Localization: Implementation in the ESAMS Tool

In recent years, utilities have made great strides in the use of high-speed wide-area measurements collected from within their footprints. However, it is increasingly clear that analyses at wider scales are needed. On January 11, 2019 an oscillation with significant amplitude observable across the Eastern Interconnection persisted for approximately 18 minutes. The generator responsible for the oscillation was only identified after it tripped itself offline. This event, along with several other similar events, demonstrated the need for increased coordination among utilities to effectively mitigate system-wide oscillations and avoid unnecessary or detrimental operator actions. In response to this need, the Eastern Interconnection Situational Awareness Monitoring System (ESAMS) was upgraded to allow the region where an oscillation is originating to be identified. This report documents the algorithms developed for this task and describes how they were integrated into the ESAMS tool. Results from simulation- and measurement-based tests demonstrate the reliability of the approaches.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

More Frequent and Persistent Heatwaves Due To Increased Temperature Skewness Projected by a High‐Resolution Earth System Model

Abstract Heatwaves are strongly associated with temperature distributions, but the mechanisms by which distributions are influenced by climate change remains unclear. Comparing simulations from a high‐spatial resolution Community Earth System Model (CESM‐HR) with those from low‐resolution models, we identify substantial improvements by CESM‐HR in reproducing observed Northern Hemisphere summer temperature skewness, as well as the frequency, intensity, persistence, and total heatwave days. Temperature skewness is strongly linked to land‐atmosphere interactions and atmospheric circulation. Under global warming projections, some regions exhibit enhanced temperature skewness, along with more frequent and persistent heatwaves of greater intensity. We find that in energy‐limited regimes, such as India, negative skewness in latent heat flux facilitates large positive skewness in sensible heat flux, which modulates near‐surface air temperatures. Skewness differences of latent and sensible heat fluxes are amplified under global warming, increasing the temperature skewness. We find that this contrasting flux mechanism is active in several heatwave‐prone regions.

Gao, Yang↗
DOE OSTI2020

Development of Coarse-Grained Models for Poly(4-vinylphenol) and Poly(2-vinylpyridine): Polymer Chemistries with Hydrogen Bonding

In this paper, we identify the modifications needed in a recently developed generic coarse-grained (CG) model that captured directional interactions in polymers to specifically represent two exemplary hydrogen bonding polymer chemistries—poly(4-vinylphenol) and poly(2-vinylpyridine). We use atomistically observed monomer-level structures (e.g., bond, angle and torsion distribution) and chain structures (e.g., end-to-end distance distribution and persistence length) of poly(4-vinylphenol) and poly(2-vinylpyridine) in an explicitly represented good solvent (tetrahydrofuran) to identify the appropriate modifications in the generic CG model in implicit solvent. For both chemistries, the modified CG model is developed based on atomistic simulations of a single 24-mer chain. This modified CG model is then used to simulate longer (36-mer) and shorter (18-mer and 12-mer) chain lengths and compared against the corresponding atomistic simulation results. We find that with one to two simple modifications (e.g., incorporating intra-chain attraction, torsional constraint) to the generic CG model, we are able to reproduce atomistically observed bond, angle and torsion distributions, persistence length, and end-to-end distance distribution for chain lengths ranging from 12 to 36 monomers. We also show that this modified CG model, meant to reproduce atomistic structure, does not reproduce atomistically observed chain relaxation and hydrogen bond dynamics, as expected. Simulations with the modified CG model have significantly faster chain relaxation than atomistic simulations and slower decorrelation of formed hydrogen bonds than in atomistic simulations, with no apparent dependence on chain length.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Aerobic Biotransformation of Fluorotelomer Thioether Amido Sulfonate (Lodyne) in AFFF-Amended Microcosms

The aerobic biotransformation pathways of 4:2, 6:2, and 8:2 fluorotelomer thioether amido sulfonate (FtTAoS) were characterized by determining the fate of the compounds in soil and medium microcosms amended with an aqueous film-forming foam (AFFF) solution. The biotransformation of FtTAoS occurred in live microcosms over approximately 40 days and produced 4:2, 6:2, and 8:2 fluorotelomer sulfonate (FtS), 6:2 fluorotelomer unsaturated carboxylic acid (FtUCA), 5:3 fluorotelomer carboxylic acid (FtCA), and C 4 to C 8 perfluorinated carboxylic acids (PFCAs). Two biotransformation products corresponding to singly and doubly oxygenated forms of 6:2 FtTAoS were also identified through high resolution mass spectrometry (MS) analysis and liquid chromatography tandem-MS. An oxidative assay was used to indirectly quantify the total concentration of polyfluorinated compounds and check the mass balance. The assay produced near complete mass recovery of FtTAoS after biotransformation, with 10% (mol/mol) of the amended FtTAoS accounted for in FtS, FtCA, and PFCA products. The transformation rates of identified products appear to be slow relative to FtTAoS, indicating that some intermediates may persist in the environment. This study confirms some of the sources of FtS and PFCAs in groundwater and soil at AFFF-impacted sites and suggests that fluorinated intermediates that are not routinely measured during the biotransformation of PFASs may accumulate.

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

Transposon signatures of allopolyploid genome evolution

Hybridization brings together chromosome sets from two or more distinct progenitor species. Genome duplication associated with hybridization, or allopolyploidy, allows these chromosome sets to persist as distinct subgenomes during subsequent meioses. Here, we present a general method for identifying the subgenomes of a polyploid based on shared ancestry as revealed by the genomic distribution of repetitive elements that were active in the progenitors. This subgenome-enriched transposable element signal is intrinsic to the polyploid, allowing broader applicability than other approaches that depend on the availability of sequenced diploid relatives. We develop the statistical basis of the method, demonstrate its applicability in the well-studied cases of tobacco, cotton, and Brassica napus, and apply it to several cases: allotetraploid cyprinids, allohexaploid false flax, and allooctoploid strawberry. These analyses provide insight into the origins of these polyploids, revise the subgenome identities of strawberry, and provide perspective on subgenome dominance in higher polyploids.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Two prospective Li-based half-Heusler alloys for spintronic applications based on structural stability and spin–orbit effect

To search for half-metallic materials for spintronic applications, instead of using an expensive trial-and-error experimental scheme, it is more efficient to use first-principles calculations to design materials first, and then grow them. In particular, using a priori information of the structural stability and the effect of the spin–orbit interaction (SOI) enables experimentalists to focus on favorable properties that make growing half-metals easier. We suggest that using acoustic phonon spectra is the best way to address the stability of promising half-metallic materials. Additionally, by carrying out accurate first-principles calculations, we propose two criteria for neglecting the SOI so the half-metallicity persists. As a result, based on the mechanical stability and the negligible SOI, we identified two half-metals, β-LiCrAs and β-LiMnSi, as promising half-Heusler alloys worth growing.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2016

Sodium accumulation at potential-induced degradation shunted areas in polycrystalline silicon modules

Here, we investigated potential-induced degradation (PID) in silicon mini-modules that were subjected to accelerated stressing to induce PID conditions. Shunted areas on the cells were identified with photoluminescence and dark lock-in thermography (DLIT) imaging. The identical shunted areas were then analyzed via time-of-flight secondary-ion mass spectrometry (TOFSIMS) imaging, 3-D tomography, and high-resolution transmission electron microscopy. The TOF-SIMS imaging indicates a high concentration of sodium in the shunted areas, and 3-D tomography reveals that the sodium extends more than 2 um from the surface below shunted regions. Transmission electron microscopy investigation reveals that a stacking fault is present at an area identified as shunted by DLIT imaging. After the removal of surface sodium, tomography reveals persistent sodium present around the junction depth of 300 nm and a drastic difference in sodium content at the junction when comparing shunted and nonshunted regions.

14 SOLAR ENERGY↗