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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Stochastic evaluation of four-component relativistic second-order many-body perturbation energies: A potentially quadratic-scaling correlation method

A second-order many-body perturbation correction to the relativistic Dirac-Hartree-Fock energy is evaluated stochastically by integrating 13-dimensional products of four-component spinors and Coulomb potentials. The integration in the real space of electron coordinates is carried out by the Monte Carlo (MC) method with the Metropolis sampling, whereas the MC integration in the imaginary-time domain is performed by the inverse-CDF (cumulative distribution function) method. The computational cost to reach a given relative statistical error for spatially compact but heavy molecules is observed to be no worse than cubic and possibly quadratic with the number of electrons or basis functions. This is a vast improvement over the quintic scaling of the conventional, deterministic second-order many-body perturbation method. The algorithm is also easily and efficiently parallelized with demonstrated 92% strong scalability going from 64 to 4096 processors for a fixed job size.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Light scattering by V 4 O 7 film across the metal–insulator transition

The experimental study of the angle-resolved hemispherical light scattering by V 4 O 7 film within a broad temperature range across metal–insulator transition reveals complex structural reorganization of the film deposited on the c-cut sapphire crystal. The bidirectional scattering distribution function and the surface autocorrelation function were obtained from scattering data to visualize statistics of the spatially resolved contributions of optical inhomogeneities in normal and lateral directions to the surface. The measurements reveal an anisotropic surface roughness distribution due to the twinned domain structure, with significant anisotropy changes across the phase transition. The V 4 O 7 film deposited on sapphire leads to a polydomain structure, minimizing elastic strain energy with distinct multiscale distributions of surface domains. Near T c , the material shows the lowest roughness but the highest lateral disorder of the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Turbulence statistical analysis of the L-H transition and RMPs in KSTAR

Here, we investigate the turbulence statistics associated with low-to-high confinement (L-H) transitions and externally applied resonant magnetic perturbations (RMPs) in KSTAR. Time-series fluctuations of electron density n e , electron temperature T e , and the time derivative of the poloidal magnetic field dB θ /dt (Mirnov coils) are analysed using information-geometric measures (information rate Γ and information length $\mathcal{L}$ = ∫ Γ dt), together with kurtosis κ and variance σ 2 . In low-density upper single-null plasmas (n e ~ 1.2 x 10 19 m -3 ), a ~80 kHz magnetic mode coupling n e , T e , dB θ /dt and emerges prior to the L-H transition and persists into the edge-localised modes H-mode. Edge-localised RMPs (ERMPs) suppress this coherent mode but enhance intermittency, producing frequent bursts that abruptly reshape the time-dependent probability density functions (PDFs) and generate large spikes in Γ (with smaller changes in κ), signalling ERMP-driven departures from quasi-stationarity. The impact of ERMPs on background fluctuation levels depends on density, radial location, and the fluctuating variable itself ($\tilde{n}$, $\tilde{T}$, $\dot{B}$ θ ), whereas $\mathcal{L}$ provides a robust, regime-agnostic measure of cumulative statistical reorganisation and spatial decorrelation. In particular, at low density we observe weaker coupling between $\tilde{n}$ and $\tilde{T}$, along with a tendency toward decreased radial correlation-most clearly for $\tilde{T}$-under ERMPs. Overall, information geometry cleanly captures intermittent events, quantifies non-equilibrium PDF evolution, and offers a compact, cross-diagnostic metric for assessing resonant magnetic perturbation effects on edge transport and correlation across densities, radial locations, and confinement states.

Kim, Eun-jin [Coventry Univ. (United Kingdom); Seo↗
DOE OSTI2025

Automated segmentation of soft X-ray tomography: Native cellular structure with submicron resolution at high-throughput for whole-cell quantitative imaging in yeast

Soft X-ray tomography (SXT) is an invaluable tool for quantitatively analyzing cellular structures at suboptical isotropic resolution. However, it has traditionally depended on manual segmentation, limiting its scalability for large datasets. Here, we leverage a deep learning-based autosegmentation pipeline to segment and label cellular structures in hundreds of cells across three Saccharomyces cerevisiae strains. This task-based pipeline uses manual iterative refinement to improve segmentation accuracy for key structures, including the cell body, nucleus, vacuole, and lipid droplets, enabling high-throughput and precise phenotypic analysis. Using this approach, we quantitatively compared the three-dimensional (3D) whole-cell morphometric characteristics of wild-type, VPH1-GFP, and vac14 strains, uncovering detailed strain-specific cell and organelle size and shape variations. We show the utility of SXT data for precise 3D curvature analysis of entire organelles and cells and detection of fine morphological features using surface meshes. Our approach facilitates comparative analyses with high spatial precision and statistical throughput, uncovering subtle morphological features at the single-cell and population level. This workflow significantly enhances our ability to characterize cell anatomy and supports scalable studies on the mesoscale, with applications in investigating cellular architecture, organelle biology, and genetic research across diverse biological contexts.

Chen, Jianhua [Lawrence Berkeley National Laborato↗
DOE OSTI2023

Different higher order kinematics between star-forming and quiescent galaxies based on the SAMI, MAGPI, and LEGA-C surveys

We present the first statistical study of spatially integrated non-Gaussian stellar kinematics spanning 7 Gyr in cosmic time. We use deep, rest-frame optical spectroscopy of massive galaxies (stellar mass $M_\star \gt 10^{10.5} \, \mathrm{M_\odot }$) at redshifts z = 0.05, 0.3, and 0.8 from the SAMI, MAGPI, and LEGA-C surveys, to measure the excess kurtosis h 4 of the stellar velocity distribution, the latter parametrized as a Gauss–Hermite series. We find that at all redshifts where we have large enough samples, h 4 anticorrelates with the ratio between rotation and dispersion, highlighting the physical connection between these two kinematic observables. In addition, and independently from the anticorrelation with rotation-to-dispersion ratio, we also find a correlation between h 4 and M ⋆ , potentially connected to the assembly history of galaxies. In contrast, after controlling for mass, we find no evidence of independent correlation between h 4 and aperture velocity dispersion or galaxy size. These results hold for both star-forming and quiescent galaxies. For quiescent galaxies, h 4 also correlates with projected shape, even after controlling for the rotation-to-dispersion ratio. At any given redshift, star-forming galaxies have lower h 4 compared to quiescent galaxies, highlighting the link between kinematic structure and star-forming activity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Insights into distorted lamellar phases with small-angle scattering and machine learning

Lamellar phases are essential in various soft matter systems, with topological defects significantly influencing their mechanical properties. In this report, we present a machine-learning approach for quantitatively analyzing the structure and dynamics of distorted lamellar phases using scattering techniques. By leveraging the mathematical framework of Kolmogorov–Arnold networks, we demonstrate that the conformations of these distorted phases – expressed as superpositions of complex waves – can be reconstructed from small-angle scattering intensities. Through the contour analysis of wave field phase singularities, we obtain the statistics of the spatial distribution of topological defects. Furthermore, we establish that the temporal evolution of these defects can be derived from the time-dependent traveling wave field, informed by the dispersion relation of spectral components. This method opens new avenues for investigating the dynamics of distorted lamellar phases using various dynamic scattering techniques such as neutron spin echo and X-ray photon correlation spectroscopy. These findings enhance our microscopic understanding of how defects influence the physical properties of lamellar materials, with implications for both equilibrium and non-equilibrium states in general lamellar systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Constraining the Multiscale Structure of Geophysical Fields in Machine Learning: The Case of Precipitation

The use of deep-learning algorithms for estimating the value of geophysical variables from remotely sensed information is rapidly expanding. The typical objective function minimized in such algorithms is the mean square error (MSE), which is known to lead to smooth estimates with compressed dynamical range as compared to the true distribution of the variable of interest. Here, we introduce and evaluate alternative objective functions, focusing on the retrieval of precipitation rates from satellite passive microwave radiometric measurements using a deep convolutional neural network. For this testbed application, the results show that explicitly imposing the preservation of the statistical distribution and spatial wavelet power spectrum of the target variable allows to accurately reproduce extreme values and sharp gradients across multiple scales in this study.

58 GEOSCIENCES↗
DOE OSTI2025

Prospects for silvicultural enhancement of fire resistance in mesic westside forests of the Pacific Northwest

Increasing wildfire activity in mesic, temperate Pacific Northwest forests west of the Cascade Range crest has stimulated interest in understanding whether alternative forest management practices could reduce risk of stand-replacing fire. To explore how management can enhance fire resistance in these forests and assess tradeoffs among resistance enhancement, carbon sequestration and storage, and economic returns, we conducted 40-year simulations of stand development with BioSum, a framework for conducting landscape analysis with the Forest Vegetation Simulator (FVS), utilizing a statistically representative and spatially balanced sample of Forest Inventory and Analysis (FIA) plots. Simulation outcomes under business-as-usual silviculture were contrasted with fire-aware silviculture, and treatment optimization logic was developed and applied to represent landscape-scale outcomes under business-as-usual and fire-focused management scenarios. Simulation results indicate that fire-aware prescriptions and fire-focused management can meaningfully enhance stand- and landscape-scale fire resistance of westside forests under less than extreme fire weather, but at the cost of lower economic returns and reduced net carbon storage and sequestration over the 40-year analysis window. Shifting from business-as-usual regeneration harvests with short rotations to fire-aware, episodic selection harvest improved fire resistance the most, especially in young privately-owned forests, and with only modest tradeoffs in carbon and economic outcomes. While fire-aware treatments generally reduced net present value from forest operations over business-as-usual, most treatments still generated positive net present value and could be implemented without subsidy. Fire-aware prescriptions that removed and utilized non-merchantable harvest residues instead of burning them, via either pile or broadcast burning, partially mitigated carbon emissions associated with fire-aware treatments, with about the same improvement in fire resistance. Given the currently limited institutional and financial capacity to implement fire resistance enhancing treatments at scale, the insights from this analysis may aid managers seeking to elevate fire resistance to prioritize where and how to manage.

Science & Technology - Other Topics↗
DOE OSTI2021

Unraveling Cu Chemical Signature in CdTe by Spectral Fluorescence Mapping

X-ray absorption spectroscopy (XAS) has been shown to be a powerful tool to unravel the chemical environment of a given atom within a matrix. When used in correlative X-ray microscopy approaches, XAS allows one to probe with nanoscale precision regions of particular interest in an absorber. Herein, we use X-ray absorption near edge structure (XANES) to evaluate the chemical environment of Cu atoms within a CdTe solar cell. The reconstruction of XANES spectra from XRF maps have unfolded 2D maps of Cu chemical structures. In this work, we found that most Cu atoms exist in Cu 2 Te and Cu 1.4 Te phase. Moreover, we found traces of CuTe, Cu 2 O, CuO, Cu 2 S, CuS, and metallic Cu phase. Investigating Cu chemical structures at different performing areas, we found no observable correlation between Cu chemical structures and electrical performance. This approach allows tracking of Cu chemical structures along with electrical performance and elemental distribution simultaneously, with high spatial resolution in a statistically practical way.

CdTe↗
DOE OSTI2024

A North Atlantic synthetic tropical cyclone track, intensity, and rainfall dataset

Tropical Cyclones (TCs) cause significant socio-economic damages to the US and Caribbean coastal regions annually, making it important to understand TC risk at the local-to-regional scales. However, the short length of the observed record and the substantial computational expense associated with high-resolution climate models make it difficult to assess TC risk using either approach. To overcome these challenges, we developed a database of synthetic TCs using the Risk Analysis Framework for Tropical Cyclones (RAFT). The database includes 40,000 synthetic TC tracks, along-track intensities and storm-induced precipitation. TC tracks generated in RAFT are in reasonable agreement with the observed spatial distribution of TC tracks and basin-scale TC statistics. Specifically, along the coast, spatial variations in TC crossing probability and extreme winds upon landfall are well-reproduced by RAFT with R-squared values of 0.81 and 0.73, respectively. In summary, the synthetic TC database constructed with RAFT provides a reasonable pathway for the robust assessment of North Atlantic TC wind and rainfall risks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Spatiotemporal and Statistical Mapping of Transition Metal Equilibria in Alkaline Media

Transition metal dissolution and redeposition (D/R) kinetics in alkaline media play a critical role in various chemical and electrochemical processes. Competitive reaction kinetics between different transition metals can modulate individual metal behavior in these processes. To date, these phenomena have remained largely unmeasured, and even when captured, they are difficult to statistically characterize due to their dynamic nature, simultaneous occurrence, and spatially heterogeneous nature. Here, in this study, we develop a statistical analysis framework based on in situ and operando X-ray fluorescence microscopy (XFM) to investigate the relative D/R kinetics of multiple transition metals in alkaline media. By employing statistical analysis, we quantify the spatial distribution of D/R species and assess the rate at which the system reaches equilibrium under varying reaction conditions. We show that pH does not simply change the rate of dissolution and redeposition, but reorganizes the cross-element kinetic correlations among Ni, Fe, and Mn and accelerates the spatial equilibration of D/R events, as quantified through correlation analysis, reaction-rate estimation, probability function distributions, and texture-based monitoring statistics. Additionally, we demonstrate how modifying the solvent environment can influence D/R kinetics, providing a pathway for tuning materials synthesis and process optimization. Our study offers valuable insights into the complex interplay between different transition metals and provides a reliable statistical framework for spatial analysis of diverse imaging data sets, enabling deeper extraction of latent information across multiple modalities.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Impact of survey spatial variability on galaxy redshift distributions and the cosmological 3 × 2-point statistics for the Rubin Legacy Survey of Space and Time (LSST)

We investigate the impact of spatial survey non-uniformity on the galaxy redshift distributions for forthcoming data releases of the Rubin Observatory Legacy Survey of Space and Time (LSST). Specifically, we construct a mock photometry data set degraded by the Rubin OpSim observing conditions, and estimate photometric redshifts of the sample using a template-fitting photo-z estimator, BPZ, and a machine learning method, FlexZBoost. We select the Gold sample, defined as $i\lt 25.3$ for 10 yr LSST data, with an adjusted magnitude cut for each year and divide it into five tomographic redshift bins for the weak lensing lens and source samples. We quantify the change in the number of objects, mean redshift, and width of each tomographic bin as a function of the coadd i-band depth for 1-yr (Y1), 3-yr (Y3), and 5-yr (Y5) data. In particular, Y3 and Y5 have large non-uniformity due to the rolling cadence of LSST, hence provide a worst-case scenario of the impact from non-uniformity. We find that these quantities typically increase with depth, and the variation can be $10\!-\!40~{{\rm per\ cent}}$ at extreme depth values. Using Y3 as an example, we propagate the variable depth effect to the weak lensing $3\times 2$ pt analysis, and assess the impact on cosmological parameters via a Fisher forecast. We find that galaxy clustering is most susceptible to variable depth, and non-uniformity needs to be mitigated below 3 per cent to recover unbiased cosmological constraints. There is little impact on galaxy–shear and shear–shear power spectra, given the expected LSST Y3 noise.

cosmology↗
DOE OSTI2023

Quantification of spatial and seasonal trends in the atmosphere and construction of statistical models for infrasonic propagation

SUMMARY Infrasonic waves are influenced by variations in the density, pressure and temperature as well as the ambient winds. Modelling infrasonic propagation can be challenging due to the dynamic nature of the atmosphere as well as the sparseness of measurements which result in variability and notable uncertainty. A framework is presented to quantify spatial and seasonal trends in atmospheric structure via analysis of the effective sound speed profile and identification of temporal trends in the middle atmospheric waveguide produced by the circumpolar vortex winds. Seasonal definitions identifying typical atmospheric structures during the summer, winter and spring/fall transition periods are identified using atmospheric data from 2010 through 2020. Seasonal trend analysis is conducted for a number of locations across the contiguous United States to quantify spatial variations in atmospheric structure that impact infrasonic propagation. For each season and location, empirical orthogonal function analysis is used to reduce the historical archive of atmospheric data into a smaller representative set that can be analysed using numerical tools more efficiently. Infrasonic ray tracing and finite-frequency modal propagation analyses are applied to construct propagation path geometry and transmission loss statistics which are useful in localization and yield estimation for infrasonic sources, respectively. An example application is detailed in which transmission loss statistics are combined with an explosive source model and noise statistics to quantify the capability of a network to detect nearby sources.

58 GEOSCIENCES↗
DOE OSTI2022

A Review of Bayesian Networks for Spatial Data

We report Bayesian networks are a popular class of multivariate probabilistic models as they allow for the translation of prior beliefs about conditional dependencies between variables to be easily encoded into their model structure. Due to their widespread usage, they are often applied to spatial data for inferring properties of the systems under study and also generating predictions for how these systems may behave in the future. We review published research on methodologies for representing spatial data with Bayesian networks and also summarize the application areas for which Bayesian networks are employed in the modeling of spatial data. We find that a wide variety of perspectives are taken, including a GIS-centric focus on efficiently generating geospatial predictions, a statistical focus on rigorously constructing graphical models controlling for spatial correlation, as well as a range of problem-specific heuristics for mitigating the effects of spatial correlation and dependency arising in spatial data analysis. Special attention is also paid to potential future directions for integration of Bayesian networks with spatial processes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A species’ response to spatial climatic variation does not predict its response to climate change

The dominant paradigm for assessing ecological responses to climate change assumes that future states of individuals and populations can be predicted by current, species-wide performance variation across spatial climatic gradients. However, if the fates of ecological systems are better predicted by past responses to in situ climatic variation through time, this current analytical paradigm may be severely misleading. Empirically testing whether spatial or temporal climate responses better predict how species respond to climate change has been elusive, largely due to restrictive data requirements. Here, we leverage a newly collected network of ponderosa pine tree-ring time series to test whether statistically inferred responses to spatial versus temporal climatic variation better predict how trees have responded to recent climate change. When compared to observed tree growth responses to climate change since 1980, predictions derived from spatial climatic variation were wrong in both magnitude and direction. This was not the case for predictions derived from climatic variation through time, which were able to replicate observed responses well. Future climate scenarios through the end of the 21st century exacerbated these disparities. These results suggest that the currently dominant paradigm of forecasting the ecological impacts of climate change based on spatial climatic variation may be severely misleading over decadal to centennial timescales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

An evaluation of air quality in major urban areas of India

Rapid economic growth and burgeoning population have contributed to enhanced levels of PM 2.5 concentrations in urban regions of India. Evaluation of ambient air quality facilitates the assessment of effectiveness of emission control measures and early identification of new sources. This study provides a comprehensive statistical analysis of PM 2.5 concentrations in key urban areas across India, including Delhi, Kolkata, Mumbai, Chennai, Hyderabad, and several regional centers. Data from 2017 to 2023 was analyzed using trend analysis, cluster analysis, principal component analysis, and geostatistical interpolation to understand spatiotemporal variations and sources. The analysis reveals significant differences in spatial distribution of PM 2.5 concentrations with high annual averages in urban regions in Indo-Gangetic plain (82–123 μg m −3 ) and relatively lower concentrations (29–46 μg m −3 ) in southern urban areas of Kerala, Tamil Nadu and Andhra Pradesh. Delhi state had the highest 24-averaged PM 2.5 concentrations (112 μg m −3 ) followed by urban regions in Uttar Pradesh, Bihar and West Bengal (94 μg m −3 ). Trend analysis from 2017 to 2023 revealed an overall 2.5% decline in site-wide PM2.5 concentrations, with the exception of Ludhiana, which exhibited a consistent annual increase of 10%. Principal component analysis (PCA) attributes 30% of the variance to wintertime emissions, 13% to biomass burning, and 18% to the regional haze in the northern Indo-Gangetic Plain. Different analyses clearly demonstrates the contribution of biomass burning to pollution in Delhi and surrounding cities. Transboundary pollution to Kolkata is likely from the highly polluted region in Indo-Gangetic Plain. Coastal cities of Mumbai and Chennai has relatively lower pollution attributed to the influence of sea breeze dilution, with mostly local contribution and some potential transport from upwind industry clusters. Hyderabad also has local contribution due to high density of vehicular traffic and local small industries. This study shows that mitigation efforts targeting clusters of regions should be undertaken to curb the high PM2.5 pollution. Policy measures should be implemented both at local and the intra-state level to address shared sources and transport of pollution.

Hysplitbacktrajectories↗
DOE OSTI2020

Planck intermediate results

In this work, we describe an extension of the most recent version of the Planck Catalogue of Compact Sources (PCCS2), produced using a new multi-band Bayesian Extraction and Estimation Package (BeeP). BeeP assumes that the compact sources present in PCCS2 at 857 GHz have a dust-like spectral energy distribution (SED), which leads to emission at both lower and higher frequencies, and adjusts the parameters of the source and its SED to fit the emission observed in Planck’s three highest frequency channels at 353, 545, and 857 GHz, as well as the IRIS map at 3000 GHz. In order to reduce confusion regarding diffuse cirrus emission, BeeP’s data model includes a description of the background emission surrounding each source, and it adjusts the confidence in the source parameter extraction based on the statistical properties of the spatial distribution of the background emission. BeeP produces the following three new sets of parameters for each source: (a) fits to a modified blackbody (MBB) thermal emission model of the source; (b) SED-independent source flux densities at each frequency considered; and (c) fits to an MBB model of the background in which the source is embedded. BeeP also calculates, for each source, a reliability parameter, which takes into account confusion due to the surrounding cirrus. This parameter can be used to extract sub-samples of high-frequency sources with statistically well-understood properties. We define a high-reliability subset (BeeP/base), containing 26 083 sources (54.1% of the total PCCS2 catalogue), the majority of which have no information on reliability in the PCCS2. We describe the characteristics of this specific high-quality subset of PCCS2 and its validation against other data sets, specifically for: the sub-sample of PCCS2 located in low-cirrus areas; the Planck Catalogue of Galactic Cold Clumps; the Herschel GAMA15-field catalogue; and the temperature- and spectral-index-reconstructed dust maps obtained with Planck’s Generalized Needlet Internal Linear Combination method. The results of the BeeP extension of PCCS2, which are made publicly available via the Planck Legacy Archive, will enable the study of the thermal properties of well-defined samples of compact Galactic and extragalactic dusty sources.

79 ASTRONOMY AND ASTROPHYSICS↗