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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Chemical order transitions within extended interfacial segregation zones in NbMoTaW

Interfacial segregation and chemical short-range ordering influence the behavior of grain boundaries in complex concentrated alloys. In this study, we use atomistic modeling of a NbMoTaW refractory complex concentrated alloy to provide insight into the interplay between these two phenomena. Hybrid Monte Carlo and molecular dynamics simulations are performed on columnar grain models to identify equilibrium grain boundary structures. Here our results reveal extended near-boundary segregation zones that are much larger than traditional segregation regions, which also exhibit chemical patterning that bridges the interfacial and grain interior regions. Furthermore, structural transitions pertaining to an A2-to-B2 transformation are observed within these extended segregation zones. Both grain size and temperature are found to significantly alter the widths of these regions. An analysis of chemical short-range order indicates that not all pairwise elemental interactions are affected by the presence of a grain boundary equally, as only a subset of elemental clustering types are more likely to reside near certain boundaries. The results emphasize the increased chemical complexity that is associated with near-boundary segregation zones and demonstrate the unique nature of interfacial segregation in complex concentrated alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Specialized microbiome of a halophyte and its role in helping non-host plants to withstand salinity

Root microbiota is a crucial determinant of plant productivity and stress tolerance. Here, we hypothesize that the superior halo-tolerance of seepweed Suaeda salsa is tightly linked to a specialized belowground microbiome. To test this hypothesis, we performed a phylogenetic trait-based framework analysis based on bacterial 16S rRNA gene and fungal nuclear rRNA internal transcribed spacer profiling. Data showed that the dominant α-proteobacteria and γ-proteobacteria communities in bulk soil and root endosphere tend to be phylogenetically clustered and at the same time exhibit phylogenetic over-dispersion in rhizosphere. Likewise, the dominant fungal genera occurred at high phylogenetic redundancy. Interestingly, we found the genomes of rhizospheric and endophytic bacteria associated with S. salsa to be enriched in genes contributing to salt stress acclimatization, nutrient solubilization and competitive root colonization. A wide diversity of rhizobacteria with similarity to known halotolerant taxa further supported this interpretation. These findings suggest that an ecological patterned root-microbial interaction strategy has been adopted in S. salsa system to confront soil salinity. We also demonstrated that the potential core microbiome members improve non-host plants growth and salt tolerance. As a result, this work provides a platform to improve plant fitness with halophytes-microbial associates and novel insights into the functions of plant microbiome under salinity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Diversity of cytosine methylation across the fungal tree of life

The generation of thousands of fungal genomes is leading to a better understanding of genes and genomic organization within the kingdom. However, the epigenome, which includes DNA and chromatin modifications, remains poorly investigated in fungi. Large comparative studies in animals and plants have deepened our understanding of epigenomic variation, particularly of the modified base 5-methylcytosine (5mC), but taxonomic sampling of disparate groups is needed to develop unifying explanations for 5mC variation. Here, we utilize the largest phylogenetic resolution of 5mC methyltransferases (5mC MTases) and genome evolution to better understand levels and patterns of 5mC across fungi. We show that extant 5mC MTase genotypes are descendent from ancestral maintenance and de novo genotypes, whereas the 5mC MTases DIM-2 and RID are more recently derived, and that 5mC levels are correlated with 5mC MTase genotype and transposon content. Our survey also revealed that fungi lack canonical gene-body methylation, which distinguishes fungal epigenomes from certain insect and plant species. However, some fungal species possess independently derived clusters of contiguous 5mC encompassing many genes. Finally, in some cases, DNA repair pathways and the N 6 -methyladenine DNA modification negatively coevolved with 5mC pathways, which additionally contributed to interspecific epigenomic variation across fungi.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Charge radii in covariant density functional theory: A global view

A systematic global investigation of differential charge radii has been performed within the CDFT framework for the first time. Theoretical results obtained with conventional covariant energy density functionals and the separable pairing interaction of Tian et al. [Phys. Lett. B 676, 44 (2009)] are compared with experimental differential charge radii in the regions of the nuclear chart in which available experimental data crosses the neutron shell closures at N=28,50,82, and 126. The analysis of absolute differential radii of different isotopic chains and their relative properties indicate clearly that such properties are reasonably well described in model calculations in the cases when the mean-field approximation is justified. However, while the observed clusterization of differential charge radii of different isotopic chains is well described above the N=50 and N=126 shell closures, it is more difficult to reproduce it above the N=28 and N=82 shell closures because of possible deficiencies in the underlying single-particle structure. The impact of the latter has been evaluated for spherical shapes and it was shown that the relative energies of the single-particle states and the patterns of their occupation with increasing neutron number have an appreciable impact on the evolution of the δ$\langle$r2$\rangle$N,N' values. These factors also limit the predictive power of model calculations in the regions of high densities of the single-particle states of different origin. It is shown that the kinks in the charge radii at neutron shell closures are due to the underlying single-particle structure and due to weakening or collapse of pairing at these closures. The regions of the nuclear chart in which the correlations beyond mean field are expected to have an impact on charge radii are indicated; the analysis shows that the assignment of a calculated excited prolate minimum to the experimental ground state allows us to understand the trends of the evolution of differential charge radii with neutron number in many cases of shape coexistence even at the mean-field level. It is usually assumed that pairing is a dominant contributor to odd-even staggering (OES) in charge radii. Our analysis paints a more complicated picture. It suggests a new mechanism in which the fragmentation of the single-particle content of the ground state in odd-mass nuclei due to particle-vibration coupling provides a significant contribution to OES in charge radii.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

miniVite: A Graph Analytics Benchmarking Tool for Massively Parallel Systems

Benchmarking of high performance computing sys-tems can help provide critical insights for ef?cient design of computing systems and software applications. Although a large number of tools for benchmarking exist, there is a lack of rep-resentative benchmarks for the class of irregular computations as exempli?ed by graph analytics. In this paper, we propose miniVite as a representative graph analytics benchmark tool to test a variety of distributed-memory systems. Graph clustering, popularly known as community detection, is a prototypical graph operation used in numerous scienti?c computing and analytics applications. The goal of clustering is to partition a graph into clusters (or communities) such that each cluster consists of vertices that are densely connected within the cluster and sparsely connected to the rest of the graph. Modu-larity optimization is a popular technique for identifying clusters in a graph. Ef?cient parallelization of modularity optimization-based algorithms is challenging. One successful approach was conceived in Vite, a distributed-memory implementation of the Louvain algorithm that incorporates several heuristics. We introduce miniVite as a representative but simpli?ed variant of Vite, to serve as a prototypical graph analytics benchmarking tool. Unlike other graph-based methods such as breadth-?rst search and betweenness centrality, miniVite represents highly complex computational patterns stressing a variety of system features, which can provide crucial insight for co-design of future computing systems.

community detection, parallel, MPI↗
NASA NTRS2025

Mars Ground Level Enhancements in the Context of the Solar Energetic Particle Clock

In this work we discuss the growing ensemble of solar particle events registered on the Martian surface, including their temporal appearance and solar sources. Solar energetic particle events from the surface of Mars have been observed starting soon after the August 2012 landing of the Radiation Assessment Detector onboard Curiosity. The Martian atmosphere prevents protons and heavy ions of up to 180 MeV/n kinetic energy from directly reaching the Martian surface. This cut-off is high enough to limit the number of solar energetic particle events measured on the surface to only 15 in ~12 ½ years. Yet we find in this analysis that Mars ground level enhancements follow the distinct SEP clock pattern as proton events observed at lower energies as reported in Posner, Richardson and Strauss (2024). Proton acceleration occurs predominantly near the solar surface, while transport to Mars incurs a delay in onset, and, as we show here, peak, that is a function of the longitudinal magnetic connection distance. between the foot point of solar wind magnetic field lines that intersect the Mars environment with the source longitude of the solar magnetic eruption. A distinct clustering of relative solar source locations at or near the Mars foot points at the Sun’s western limb is apparent, indicating lower flux thresholds from such preferred locations. Our findings have implications for astronaut safety at Mars.

Mars Ground Level Enhancements↗
DOE OSTI2015

Identification of the threshold security applied for fuel under reactivity-initiated conditions by self-organizing maps and neural networks - 14386

In recent times, we have 439 reactors distributed in 31 countries that give about 377 GW, covering around 12% of world capacity of energy. Currently, it accounts for an estimated 40 serious accidents reported in nuclear power plants. In this article, turns out the behavior of fuel rod in light-water reactors under accident conditions. Besides, we investigate deeply about reactivity-initiated accidents, by introducing Nordheim-Fuchs model as state equations. The early research showed that pre-irradiated fuels and afterward subjected to a rapid pulse of energy. It adopts the key items necessary to check the threshold of failure. These items are few limits as burning the fuel; the value applied to the peak of energy, pulse width, oxidation layer, and cladding. The kinetic equations of nuclear reactors modeled as a non-linear system. In this way, it can apply the paradigm of artificial intelligence using the self-organized maps. Where the goal is to find the cluster of failure for irradiated fuels until 75 GWd/MTU. The second model based on statistical is the logistic regression theory. Hence, the tests carried out and compared against the results found by neural networks for classification of clusters. It proofs that both approaches present capacity to find the flaws accurately of about 80% of cases. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

X-Ray Performance of Critical-angle Transmission Grating Prototypes for the Arcus Mission

Arcus is a proposed Explorer Class soft X-ray grating spectrometer. It aims to explore cosmic feedback by mapping hot gases within and between galaxies and galaxy clusters and characterizing jets and winds from supermassive black holes and to investigate the dynamics of protoplanetary disks and stellar accretion. Arcus features 12 m focal-length grazing-incidence silicon pore optics (SPO) developed for the Athena mission. Critical-angle transmission (CAT) gratings efficiently disperse high diffraction orders onto CCDs. We report new and improved X-ray performance results for Arcus-like CAT gratings, including a record resolving power for two coaligned CAT gratings. Multiple Arcus prototype grating facets were illuminated by an SPO at the PANTER facility. The facets consist of 32 × 32.5 mm 2 patterned silicon membranes, bonded to metal frames. The bonding angle is adjusted according to the measured average tilt angle of the grating bars in the membrane. Two simultaneously illuminated facets show a minor broadening of the Al-K α doublet in the 18th and 21st orders with the best-fit record effective resolving power of ${R}_{G}\approx {1.3}_{-0.5}^{+\infty }\times {10}^{4}$ (3σ), about three to four times the Arcus requirement. We measured the diffraction efficiency of quasi-fully illuminated gratings at O-K wavelengths in orders 4–7 in an Arcus-like configuration and compare results with synchrotron spot measurements. After corrections for geometrical effects and bremsstrahlung continuum, we find agreement between full and spot illumination at the two different facilities, as well as with the models used for Arcus effective area predictions. We find that these flight-like gratings meet the diffraction efficiency and greatly exceed the resolving power Arcus requires.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Two decades of aerosol trends over India: seasonal characteristics and urban-rural dynamics

Abstract India faces significant air quality challenges, with one of the highest air pollution levels of any country in the world. Here, we examine two decades (2001–2019) of both particulate matter (PM 2.5 ) concentration and aerosol optical depth (AOD) over the country. Increases are seen between the two decadal averages, for 2001–2010 and 2011–2019, in western India, particularly in the Indo-Gangetic Plain (IGP). IGP region, including Bihar, West Bengal, Jharkhand, and Uttar Pradesh, shows the highest increases in AOD (+0.03, 13%) and PM 2.5, s (+8 µ g m −3 ). Seasonal AOD patterns fluctuate, with the IGP experiencing the highest wintertime increase, especially in Bihar (+0.07). In summer, there are increases in AOD along the southern and eastern coastal areas. Monsoons cause a slight rise in AOD, except in Rajasthan. In the post-monsoon season, the IGP experiences a notable increase in AOD (+0.057, 25%), potentially driven by biomass burning in Bihar (+0.11) and Uttar Pradesh (+0.075). Dividing our study area into urban and peri-urban clusters ( n = 2791), AOD is found to be similar, possibly due to advective mixing. However, the differences between urban and rural areas become more noticeable, especially in the second decade. Correlations between AOD and PM 2.5, g vary across locations, with the highest found in Kanpur ( R 2 = 0.61) and weaker in Delhi ( R 2 = 0.42), highlighting the need for more ground monitoring. However, it suggests that satellite-derived AOD can generally be used to examine trends in PM 2.5 over longer time frames.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Applying the core-satellite species concept: Characteristics of rare and common riverine dissolved organic matter

Introduction: Dissolved organic matter (DOM) composition varies over space and time, with a multitude of factors driving the presence or absence of each compound found in the complex DOM mixture. Compounds ubiquitously present across a wide range of river systems (hereafter termed core compounds) may differ in chemical composition and reactivity from compounds present in only a few settings (hereafter termed satellite compounds). Here, we investigated the spatial patterns in DOM molecular formulae presence (occupancy) in surface water and sediments across 97 river corridors at a continental scale using the “Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems—WHONDRS” research consortium. Methods: We used a novel data-driven approach to identify core and satellite compounds and compared their molecular properties identified with Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Results: In this work, we found that core compounds clustered around intermediate hydrogen/carbon and oxygen/carbon ratios across both sediment and surface water samples, whereas the satellite compounds varied widely in their elemental composition. Within surface water samples, core compounds were dominated by lignin-like formulae, whereas protein-like formulae dominated the core pool in sediment samples. In contrast, satellite molecular formulae were more evenly distributed between compound classes in both sediment and water molecules. Core compounds found in both sediment and water exhibited lower molecular mass, lower oxidation state, and a higher degree of aromaticity, and were inferred to be more persistent than global satellite compounds. Higher putative biochemical transformations were found in core than satellite compounds, suggesting that the core pool was more processed. Discussion: The observed differences in chemical properties of core and satellite compounds point to potential differences in their sources and contribution to DOM processing in river corridors. Overall, our work points to the potential of data-driven approaches separating rare and common compounds to reduce some of the complexity inherent in studying riverine DOM.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1993

Testing approximations for non-linear gravitational clustering

The accuracy of various analytic approximations for following the evolution of cosmological density fluctuations into the nonlinear regime is investigated. The Zel'dovich approximation is found to be consistently the best approximation scheme. It is extremely accurate for power spectra characterized by n = -1 or less; when the approximation is 'enhanced' by truncating highly nonlinear Fourier modes the approximation is excellent even for n = +1. The performance of linear theory is less spectrum-dependent, but this approximation is less accurate than the Zel'dovich one for all cases because of the failure to treat dynamics. The lognormal approximation generally provides a very poor fit to the spatial pattern.

Coles, Peter↗
DOE OSTI2011

T-cell triggering thresholds are modulated by the number of antigen within individual T-cell receptor clusters

T cells react to extremely small numbers of activating agonist peptides. Spatial organization of T-cell receptors (TCR) and their peptide-major histocompatibility complex (pMHC) ligands into microclusters is correlated with T-cell activation. In this study, we have designed an experimental strategy that enables control over the number of agonist peptides per TCR cluster, without altering the total number engaged by the cell. Supported membranes, partitioned with grids of barriers to lateral mobility, provide an effective way of limiting the total number of pMHC ligands that may be assembled within a single TCR cluster. Observations directly reveal that restriction of pMHC content within individual TCR clusters can decrease T-cell sensitivity for triggering initial calcium flux at fixed total pMHC density. Further analysis suggests that triggering thresholds are determined by the number of activating ligands available to individual TCR clusters, not by the total number encountered by the cell. Results from a series of experiments in which the overall agonist density and the maximum number of agonist per TCR cluster are independently varied in primary T cells indicate that the most probable minimal triggering unit for calcium signaling is at least four pMHC in a single cluster for this system. In conclusion, this threshold is unchanged by inclusion of coagonist pMHC, but costimulation of CD28 by CD80 can modulate the threshold lower.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Global Disease Outbreaks Associated with the 2015–2016 El Niño Event

Interannual climate variability patterns associated with the El Niño-Southern Oscillation phenomenon result in climate and environmental anomaly conditions in specific regions worldwide that directly favor outbreaks and/or amplification of variety of diseases of public health concern including chikungunya, hantavirus, Rift Valley fever, cholera, plague, and Zika. We analyzed patterns of some disease outbreaks during the strong 2015–2016 El Niño event in relation to climate anomalies derived from satellite measurements. Disease outbreaks in multiple El Niño-connected regions worldwide (including Southeast Asia, Tanzania, western US, and Brazil) followed shifts in rainfall, temperature, and vegetation in which both drought and fooding occurred in excess (14–81% precipitation departures from normal). These shifts favored ecological conditions appropriate for pathogens and their vectors to emerge and propagate clusters of diseases activity in these regions. Our analysis indicates that intensity of disease activity in some ENSO-teleconnected regions were approximately 2.5–28% higher during years with El Niño events than those without. Plague in Colorado and New Mexico as well as cholera in Tanzania were significantly associated with above normal rainfall (p<0.05); while dengue in Brazil and southeast Asia were significantly associated with above normal land surface temperature (p<0.05). Routine and ongoing global satellite monitoring of key climate variable anomalies calibrated to specific regions could identify regions at risk for emergence and propagation of disease vectors. Such information can provide sufficient lead-time for outbreak prevention and potentially reduce the burden and spread of ecologically coupled diseases.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

A GPU-based compressible combustion solver for applications exhibiting disparate space and time scales

High-speed chemically active flows pose significant computational challenges due to their disparate space and time scales, with stiff chemistry often dominating simulation time. While modern scientific computing programs achieve exascale performance by leveraging graphics processing units (GPUs), existing GPU-based compressible combustion solvers face critical limitations in memory management, load balancing, and handling the highly localized nature of chemical reactions. To this end, we present a high-performance compressible reacting flow solver built on the AMReX framework and optimized for multi-GPU settings. Here, our approach addresses three GPU performance bottlenecks: memory access patterns through column-major storage optimization, computational workload variability via a bulk-sparse integration strategy for chemical kinetics, and multi-GPU load distribution for adaptive mesh refinement applications. The solver adapts existing matrix-based chemical kinetics formulations to multi-grid contexts. Using representative combustion applications, including 2D and 3D detonations and a 3D jet-in-crossflow configuration, we demonstrate 1.4–5× performance improvements over initial implementations on an in-house cluster of NVIDIA H100 GPUs, and near-ideal weak scaling on the Frontier supercomputer (Oak Ridge Leadership Computing Facility) with up to 1024 AMD Instinct MI250X GPUs. Roofline analysis reveals substantial improvements in arithmetic intensity for both convection (∼ 10 ×) and chemistry (∼ 4 ×) routines, confirming efficient utilization of GPU memory bandwidth and computational resources.

42 ENGINEERING↗
DOE OSTI2013

Exploration of Noncoding Sequences in Metagenomes

Environment-dependent genomic features have been defined for different metagenomes, whose genes and their associated processes are related to specific environments. Identification of ORFs and their functional categories are the most common methods for association between functional and environmental features. However, this analysis based on finding ORFs misses noncoding sequences and, therefore, some metagenome regulatory or structural information could be discarded. In this work we analyzed 23 whole metagenomes, including coding and noncoding sequences using the following sequence patterns: (G+C) content, Codon Usage (Cd), Trinucleotide Usage (Tn), and functional assignments for ORF prediction. Herein, we present evidence of a high proportion of noncoding sequences discarded in common similarity based methods in metagenomics, and the kind of relevant information present in those. We found a high density of trinucleotide repeat sequences (TRS) in noncoding sequences, with a regulatory and adaptive function for metagenome communities. We present associations between trinucleotide values and gene function, where metagenome clustering correlate with microorganism adaptations and kinds of metagenomes. We propose here that noncoding sequences have relevant information to describe metagenomes that could be considered in a whole metagenome analysis in order to improve their organization, classification protocols, and their relation with the environment.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2019

Global Disease Outbreaks Associated with the 2015-2016 El Niño Event

Interannual climate variability patterns associated with the El Niño-Southern Oscillation phenomenon result in climate and environmental anomaly conditions in specific regions worldwide that directly favor outbreaks and/or amplification of variety of diseases of public health concern including chikungunya, hantavirus, Rift Valley fever, cholera, plague, and Zika. We analyzed patterns of some disease outbreaks during the strong 2015–2016 El Niño event in relation to climate anomalies derived from satellite measurements. Disease outbreaks in multiple El Niño-connected regions worldwide (including Southeast Asia, Tanzania, western US, and Brazil) followed shifts in rainfall, temperature, and vegetation in which both drought and flooding occurred in excess (14–81% precipitation departures from normal). These shifts favored ecological conditions appropriate for pathogens and their vectors to emerge and propagate clusters of diseases activity in these regions. Our analysis indicates that intensity of disease activity in some ENSO-teleconnected regions were approximately 2.5–28% higher during years with El Niño events than those without. Plague in Colorado and New Mexico as well as cholera in Tanzania were significantly associated with above normal rainfall (p < 0.05); while dengue in Brazil and southeast Asia were significantly associated with above normal land surface temperature (p < 0.05). Routine and ongoing global satellite monitoring of key climate variable anomalies calibrated to specific regions could identify regions at risk for emergence and propagation of disease vectors. Such information can provide sufficient lead-time for outbreak prevention and potentially reduce the burden and spread of ecologically coupled diseases.

El Nino↗
NASA NTRS1985

Venus global radar reflectivity and correlations with elevation

A geological analysis of the global radar reflectivity data for Venus is presented. The statistical and map pattern distribution of the radar reflectivity rho is first analyzed in the context of the porosity structure of the surface. Rho is then correlated with elevation in order to examine the degree of topographic control on material properties which could depend on PT-sensitive chemical weathering phenomena. Comparison of the rms slope alpha and rho correlations with elevation demonstrates that there are distinct topographic zones defined on the basis of the rho and alpha trends. Finally, hierarchical clustering analysis is applied to the global rho, alpha, and 100-km baseline regional slope data sets in order to define radar property-related subregions.

Garvin, J. B.↗
NASA NTRS1987

Transonic Navier-Stokes solutions for a fighter-like configuration

The Transonic Navier-Stokes wing code is extended to a 16-zone TNS wing-fuselage code and used to solve the transonic viscous flow over a modified F-16A. The computer code, called Transonic Navier-Stokes Wing/Fuselage uses a zonal approach to solve the three-dimensional Euler and Navier-Stokes equations. With the zonal implementation, clustering suitable for viscous calculations is achieved on all solid surfaces. The transonic case has flow conditions of free-stream M = 0.9, alpha = 4.12 deg, and a Reynolds number based on root chord of 4.5 million. This case required about 3,000 iterations to reduce the L2-norm of the residual by three orders, which takes about 15 hr of cpu time on the Cray X-MP/48 processor. Pressure distributions, as well as separaton patterns, compare favorably with experiment for this transonic case.

Flores, Jolen↗