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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Response of Ecosystem Productivity to High Vapor Pressure Deficit and Low Soil Moisture: Lessons Learned From the Global Eddy-Covariance Observations

Although there is mounting concern about how high vapor pressure deficit (VPD) and low soil moisture (SM) affect ecosystem productivity, their relative importance is still under debate. Here, we comprehensively quantified the relative impacts of these two factors on ecosystem gross primary production (GPP) using observations from a global network of eddy-covariance towers and two approaches (sensitivity analysis and linear regression model). Both approaches agree that a higher percentage of sites experience GPP reduction from high VPD than from low SM over the growing season. However, the constraint of high VPD and low SM on GPP reduction is tightly linked with climates and plant functional types. Humid and mesic ecosystems including forests and grasslands are dominated by VPD, while the semi-arid and arid ecosystems including shrublands and savannas are dominated by SM. The varying dominant role of these two factors on GPP is closely related to plant stomatal behavior, as predicted by a stomatal conductance model. Additionally, we highlight the non-linear impact of SM on GPP during droughts and the possible underestimation of the SM effects for deep-rooted plants when only using surface-layer SM. Our results shed light on a better understanding of the impacts of VPD and SM on vegetation productivity, with important implications for modeling the response and feedback of ecosystem dynamics to current and future climates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Dark energy survey year 3 results: cosmology from galaxy clustering and galaxy–galaxy lensing in harmonic space

We present the joint tomographic analysis of galaxy-galaxy lensing and galaxy clustering in harmonic space (HS), using galaxy catalogues from the first three years of observations by the Dark Energy Survey (DES Y3). We utilize the redMaGiC and MagLim catalogues as lens galaxies and the metacalibration catalogue as source galaxies. The measurements of angular power spectra are performed using the pseudo-$C_\ell$ method, and our theoretical modelling follows the fiducial analyses performed by DES Y3 in configuration space, accounting for galaxy bias, intrinsic alignments, magnification bias, shear magnification bias and photometric redshift uncertainties. We explore different approaches for scale cuts based on non-linear galaxy bias and baryonic effects contamination. Our fiducial covariance matrix is computed analytically, accounting for mask geometry in the Gaussian term, and including non-Gaussian contributions and super-sample covariance terms. To validate our HS pipelines and covariance matrix, we used a suite of 1800 log-normal simulations. We also perform a series of stress tests to gauge the robustness of our HS analysis. In the $\Lambda$CDM model, the clustering amplitude $S_8 =\sigma _8(\Omega _m/0.3)^{0.5}$ is constrained to $S_8 = 0.704\pm 0.029$ and $S_8 = 0.753\pm 0.024$ (68 per cent C.L.) for the redMaGiC and MagLim catalogues, respectively. For the wCDM, the dark energy equation of state is constrained to $w = -1.28 \pm 0.29$ and $w = -1.26^{+0.34}_{-0.27}$, for redMaGiC and MagLim catalogues, respectively. These results are compatible with the corresponding DES Y3 results in configuration space and pave the way for HS analyses using the DES Y6 data.

(cosmology:) cosmological parameters↗
DOE OSTI2023

Bayesian Monte Carlo Evaluation of Imperfect (n, 233 U) Data and Model

Conventional nuclear data evaluation methods using generalized linear least squares make the following assumptions: prior and posterior probability distribution functions (PDFs) of all model parameters and data are normal (Gaussian); the linear approximation is sufficiently accurate to minimize the cost function (even for nonlinear models); the model (e.g., of neutron cross section) and experimental data (including covariance data) are without defect and prior PDFs of parameters and measured data are known perfectly. Neglect of covariance between model parameters and measured data in conventional evaluations contributes to imperfections. These assumptions are inherent to the generalized linear least squares minimization method commonly used for resolved resonance region neutron cross section evaluations but are often not justified due to the presence of non-normal PDFs, nonlinear models (e.g., R-matrix formalism), and inherent imperfections in data and models (e.g., imperfect covariance data). Here, these assumptions are removed in a mathematical framework of Bayes’ theorem, which is implemented using the Metropolis-Hastings Monte Carlo method. Most importantly, new parameters are introduced to parameterize discrepancies between the theoretical model and measured data to quantify judgement about discrepancies or imperfections in a reproducible manner. An evaluation of 233U in the eV region using the ENDF-B/VIII.0 library and transmission data (Guber et al.) is presented, and posterior parameters are compared to those obtained by conventional evaluation methods. This example illustrates the effects of removing the most harmful assumption: that of model-data perfection.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Poisson Equation for a (General) Homogeneous d-Dimensional Ellipsoid with Applications to Beam Envelope Tracking

This note describes the solution of the free-space Poisson equation in the interior of a $d$-dimensional homogeneous ellipsoid, and the associated space charge fields. An explicit formula (\ref{Sformula}) is provided that relates the $d\times d$ matrix describing the space charge (quadratic) potential to the $d\times d$ covariance matrix of the ellipsoid. For the cases $d=2$ and $d=3$, this result is used to determine the linear map corresponding to a space charge kick, that may be used to push the beam $6\times 6$ covariance matrix during envelope tracking. The treatment of upright ellipsoids for $d=2$ and $d=3$ is well-represented in the literature. However, the approach taken here emphasizes a general ellipsoid with arbitrary correlations in any dimension. The Appendix provides a general solution of the free-space Poisson equation in dimension $d$ for a source distribution with ellipsoidal symmetry.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Gluon unpolarized, polarized, and transversity GPDs from lattice QCD: Lorentz-covariant parametrization

We identify the matrix elements necessary to determine the leading-twist gluon generalized parton distributions (GPDs) H g , E g , H ˜ g , E ˜ g , H g T , E g T , H ˜ g T , E ˜ g T in lattice QCD calculations. We present a method to achieve a Lorentz-covariant parameterization of the matrix elements in terms of a linearly independent basis of tensor structures. This parameterization is crucial for projecting lattice QCD matrix elements onto light cone distributions. For the first time, we determine the corresponding components that project onto the linear combinations of invariant amplitudes, which reduce to the different gluon GPDs in the light cone limit and enable their separation in a lattice QCD calculation for spin-0 and spin- 1 2 hadrons. Hence, this work lays the foundation for the numerical determination of the gluon GPDs from first-principle lattice QCD calculations, directly advancing our understanding of the mass and spin structures and mechanical properties of the nucleon, as well as the physics underlying deeply virtual Compton scattering and deeply virtual meson production in a range of experimental processes. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Dispersion Relations Alone Cannot Guarantee Causality

We show that linear superpositions of plane waves involving a single-valued, covariantly stable dispersion relation ω ( k ) always propagate outside the light cone unless ω ( k ) = a + b k . This implies that there is no notion of causality for individual dispersion relations since no mathematical condition on the function ω ( k ) (such as the front velocity or the asymptotic group velocity conditions) can serve as a sufficient condition for subluminal propagation in dispersive media. Instead, causality can only emerge from a careful cancellation that occurs when one superimposes all the excitation branches of a physical model. This happens automatically in local theories of matter that are covariantly stable. Hence, we find that the need for nonhydrodynamic modes in relativistic fluid mechanics is analogous to the need for antiparticles in relativistic quantum mechanics. Published by the American Physical Society 2024

Physics↗
DOE OSTI2024

Impact of property covariance on cluster weak lensing scaling relations

ABSTRACT We present an investigation into a hitherto unexplored systematic that affects the accuracy of galaxy cluster mass estimates with weak gravitational lensing. Specifically, we study the covariance between the weak lensing signal, ΔΣ, and the ‘true’ cluster galaxy number count, Ngal, as measured within a spherical volume that is void of projection effects. By quantifying the impact of this covariance on mass calibration, this work reveals a significant source of systematic uncertainty. Using the MDPL2 simulation with galaxies traced by the SAGE semi-analytic model, we measure the intrinsic property covariance between these observables within the three-dimensional vicinity of the cluster, spanning a range of dynamical mass and redshift values relevant for optical cluster surveys. Our results reveal a negative covariance at small radial scales (R ≲ R200c) and a null covariance at large scales (R ≳ R200c) across most mass and redshift bins. We also find that this covariance results in a $2{\!-\!}3~{{\ \rm per\ cent}}$ bias in the halo mass estimates in most bins. Furthermore, by modelling Ngal and ΔΣ as multi-(log)-linear equations of secondary halo properties, we provide a quantitative explanation for the physical origin of the negative covariance at small scales. Specifically, we demonstrate that the Ngal–ΔΣ covariance can be explained by the secondary properties of haloes that probe their formation history. We attribute the difference between our results and the positive bias seen in other works with (mock)-cluster finders to projection effects. These findings highlight the importance of accounting for the covariance between observables in cluster mass estimation, which is crucial for obtaining accurate constraints on cosmological parameters.

Astronomy & Astrophysics↗
DOE OSTI2022

Bayesian Monte-Carlo Framework: New Methods for Resonance Parameter Evaluation [Slides]

BMC evaluation is a tool to address imperfect data & models, non-linear models, and non-normal PDFs. ENDF-6 format does not allow non-normal parameter PDFs. Storing posterior sets allow for variance, covariance, skewness, etc. To better predict criticality, we could document non-normal parameter PDFs (i.e. asymmetric uncertainty), consider non-linear sensitivity of $\kappa$ eff to resonance parameters, and reduce uncertainty in key resonance parameters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Bayesian Monte-Carlo Evaluation Framework for Imperfect Nuclear Data [Slides]

BMC evaluation is a tool used to address imperfect data and models, non-linear models, and non-normal PDFs. ENDF-6 format does not allow non-normal parameter PDFs. Storing posterior sets allows for variance, covariance, skewness, etc. To better predict criticality, we should document non-normal parameter PDFs (i.e. asymmetric uncertainty) and consider non-linear sensitivity of $k_{\text{eff}}$ to resonance parameters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Responses of Marginal and Intrinsic Water-Use Efficiency to Changing Aridity Using FLUXNET Observations

According to classic stomatal optimization theory, plant stomata are regulated to maximize carbon assimilation for a given water loss. A key component of stomatal optimization models is marginal water-use efficiency (mWUE), the ratio of the change of transpiration to the change in carbon assimilation. Although the mWUE is often assumed to be constant, variability of mWUE under changing hydrologic conditions has been reported. However, there has yet to be a consensus on the patterns of mWUE variabilities and their relations with atmospheric aridity. We investigate the dynamics of mWUE in response to vapor pressure deficit (VPD) and aridity index using carbon and water fluxes from 115 eddy covariance towers available from the global database FLUXNET. We demonstrate a non-linear mWUE-VPD relationship at a sub-daily scale in general; mWUE varies substantially at both low and high VPD levels. However, mWUE remains relatively constant within the mid-range of VPD. Despite the highly non-linear relationship between mWUE and VPD, the relationship can be informed by the strong linear relationship between ecosystem-level inherent water-use efficiency (IWUE) and mWUE using the slope, m *. We further identify site-specific m * and its variability with changing site-level aridity across six vegetation types. We suggest accurately representing the relationship between IWUE and VPD using Michaelis–Menten or quadratic functions to ensure precise estimation of mWUE variability for individual sites.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Neutron Capture and Transmission Measurements and Evaluation of 54 Fe at the RPI LINAC [Slides]

This presentation covers neutron capture and transmission measurements and evaluation of 54 Fe (Iron) at the Rensselaer Polytechnic Insitute (RPI) Linear Accelerator (LINAC). Presentation conclusions find that 54 Fe is near its conclusion, covariance matrix generation is needed for both experiments before data is made available and released (Completion by April 2023). RPI will be conducting a full Resolved Resonance Region (RRR) evaluation following release of data (Completion by September 2023). Additionally, the neutron beam imager shows promise in providing an easy way to align samples in the most intense part of the neutron beam and there will be a new evaluation that will offer improvements in crit safety, shielding, and stellar applications.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Divergent controls of soil organic carbon between observations and process-based models

Abstract The storage and cycling of soil organic carbon (SOC) are governed by multiple co-varying factors, including climate, plant productivity, edaphic properties, and disturbance history. Yet, it remains unclear which of these factors are the dominant predictors of observed SOC stocks, globally and within biomes, and how the role of these predictors varies between observations and process-based models. Here we use global observations and an ensemble of soil biogeochemical models to quantify the emergent importance of key state factors – namely, mean annual temperature, net primary productivity, and soil mineralogy – in explaining biome- to global-scale variation in SOC stocks. We use a machine-learning approach to disentangle the role of covariates and elucidate individual relationships with SOC, without imposing expected relationships a priori . While we observe qualitatively similar relationships between SOC and covariates in observations and models, the magnitude and degree of non-linearity vary substantially among the models and observations. Models appear to overemphasize the importance of temperature and primary productivity (especially in forests and herbaceous biomes, respectively), while observations suggest a greater relative importance of soil minerals. This mismatch is also evident globally. However, we observe agreement between observations and model outputs in select individual biomes – namely, temperate deciduous forests and grasslands, which both show stronger relationships of SOC stocks with temperature and productivity, respectively. This approach highlights biomes with the largest uncertainty and mismatch with observations for targeted model improvements. Understanding the role of dominant SOC controls, and the discrepancies between models and observations, globally and across biomes, is essential for improving and validating process representations in soil and ecosystem models for projections under novel future conditions.

58 GEOSCIENCES↗
DOE OSTI2023

Robust scalable initialization for Bayesian variational inference with multi-modal Laplace approximations

Predictive modeling typically relies on Bayesian model calibration to provide uncertainty quantification. Variational inference utilizing fully independent (“mean-field”) Gaussian distributions are often used as approximate probability density functions. This simplification is attractive since the number of variational parameters grows only linearly with the number of unknown model parameters. However, the resulting diagonal covariance structure and unimodal behavior can be too restrictive to provide useful approximations of intractable Bayesian posteriors that exhibit highly non-Gaussian behavior, including multimodality. High-fidelity surrogate posteriors for these problems can be obtained by considering the family of Gaussian mixtures. Gaussian mixtures are capable of capturing multiple modes and approximating any distribution to an arbitrary degree of accuracy, while maintaining some analytical tractability. Unfortunately, variational inference using Gaussian mixtures with full-covariance structures suffers from a quadratic growth in variational parameters with the number of model parameters. The existence of multiple local minima due to strong nonconvex trends in the loss functions often associated with variational inference present additional complications, These challenges motivate the need for robust initialization procedures to improve the performance and computational scalability of variational inference with mixture models. In this work, we propose a method for constructing an initial Gaussian mixture model approximation that can be used to warm-start the iterative solvers for variational inference. The procedure begins with a global optimization stage in model parameter space. In this step, local gradient-based optimization, globalized through multistart, is used to determine a set of local maxima, which we take to approximate the mixture component centers. Around each mode, a local Gaussian approximation is constructed via the Laplace approximation. Finally, the mixture weights are determined through constrained least squares regression. The robustness and scalability of the proposed methodology is demonstrated through application to an ensemble of synthetic tests using high-dimensional, multimodal probability density functions. Here, the practical aspects of the approach are demonstrated with inversion problems in structural dynamics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Absorptive Weak Plume Detection on Gaussian and Non-Gaussian Background Clutter

For additive signals on Gaussian clutter, the optimal detector is a linear matched filter that is adapted to the known signal and the covariance of the background. This adaptive matched filter is widely used for gas-phase plume detection, even though the effect of the plume on the background is not strictly additive. Here, a derivation of the matched filter for a strictly absorptive plume produces, in the weak plume limit, a quadratic filter. This quadratic matched filter is extended in two ways: an elliptically-contoured multivariate t distribution is used to generalize the Gaussian background clutter, and a generalized likelihood ratio test detector is derived to extend applicability to stronger plumes. In addition to detectors whose purpose is to identify presence versus absence of a plume, expressions are also derived for estimating plume strength. The performance of these various detectors is evaluated by implanting simulated plume into background images that are either real hyperspectral images or simulated images based on different (Gaussian, multivariate t, and lognormal) clutter distributions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Learning reference governor for cycle-to-cycle combustion control with misfire avoidance in spark-ignition engines at high exhaust gas recirculation–diluted conditions

Cycle-to-cycle feedback control is employed to achieve optimal combustion phasing while maintaining high levels of exhaust gas recirculation by adjusting the spark advance and the exhaust gas recirculation valve position. The control development is based on a control-oriented model that captures the effects of throttle position, exhaust gas recirculation valve position, and spark timing on the combustion phasing. Under the assumption that in-cylinder pressure information is available, an adaptive extended Kalman filter approach is used to estimate the exhaust gas recirculation rate into the intake manifold based on combustion phasing measurements. The estimation algorithm is adaptive since the cycle-to-cycle combustion variability (output covariance) is not known a priori and changes with operating conditions. A linear quadratic regulator controller is designed to maintain optimal combustion phasing while maximizing exhaust gas recirculation levels during load transients coming from throttle tip-in and tip-out commands from the driver. During throttle tip-outs, however, a combination of a high exhaust gas recirculation rate and an overly advanced spark, product of the dynamic response of the system, generates a sequence of misfire events. In this work, an explicit reference governor is used as an add-on scheme to the closed-loop system in order to avoid the violation of the misfire limit. The reference governor is enhanced with model-free learning which enables it to avoid misfires after a learning phase. Experimental results are reported which illustrate the potential of the proposed control strategy for achieving an optimal combustion process during highly diluted conditions for improving fuel efficiency.

42 ENGINEERING↗
DOE OSTI2024

Multi-modal characterisation of early-stage, subclinical cardiac deterioration in patients with type 2 diabetes

Abstract Background Type 2 diabetes mellitus (T2DM) is a major risk factor for heart failure with preserved ejection fraction and cardiac arrhythmias. Precursors of these complications, such as diabetic cardiomyopathy, remain incompletely understood and underdiagnosed. Detection of early signs of cardiac deterioration in T2DM patients is critical for prevention. Our goal is to quantify T2DM-driven abnormalities in ECG and cardiac imaging biomarkers leading to cardiovascular disease. Methods We quantified ECG and cardiac magnetic resonance imaging biomarkers in two matched cohorts of 1781 UK Biobank participants, with and without T2DM, and no diagnosed cardiovascular disease at the time of assessment. We performed a pair-matched cross-sectional study to compare cardiac biomarkers in both cohorts, and examined the association between T2DM and these biomarkers. We built multivariate multiple linear regression models sequentially adjusted for socio-demographic, lifestyle, and clinical covariates. Results Participants with T2DM had a higher resting heart rate (66 vs. 61 beats per minute,p < 0.001), longer QTc interval (424 vs. 420ms,p < 0.001), reduced T wave amplitude (0.33 vs. 0.37mV,p < 0.001), lower stroke volume (72 vs. 78ml,p < 0.001) and thicker left ventricular wall (6.1 vs. 5.9mm,p < 0.001) despite a decreased Sokolow-Lyon index (19.1 vs. 20.2mm,p < 0.001). T2DM was independently associated with higher heart rate (beta = 3.11, 95% CI = [2.11,4.10],p < 0.001), lower stroke volume (beta = −4.11, 95% CI = [−6.03, −2.19],p < 0.001) and higher left ventricular wall thickness (beta = 0.133, 95% CI = [0.081,0.186],p < 0.001). Trends were consistent in subgroups of different sex, age and body mass index. Fewer significant differences were observed in participants of non-white ethnic background. QRS duration and Sokolow-Lyon index showed a positive association with the development of cardiovascular disease in cohorts with and without T2DM, respectively. A higher left ventricular mass and wall thickness were associated with cardiovascular outcomes in both groups. Conclusion T2DM prior to cardiovascular disease was linked with a higher heart rate, QTc prolongation, T wave amplitude reduction, as well as lower stroke volume and increased left ventricular wall thickness. Increased QRS duration and left ventricular wall thickness and mass were most strongly associated with future cardiovascular disease. Although subclinical, these changes may indicate the presence of autonomic dysfunction and diabetic cardiomyopathy. Graphical Abstract

Cardiovascular System & Cardiology↗
DOE OSTI2022

Scalable Gaussian Processes, GPyTorch Application Benchmarking, and Targeted Adaptive Design (TAD) on ThetaGPU

We aim at showcasing the scalability of Gaussian Process (GP). The naive GP implementation scales cubically with data size, which can be prohibitive, so GP has not heretofore been considered suitable for very large-scale problem settings. We take advantage of GPyTorch, a library for scalable GPs built on top of PyTorch that incorporates GPU acceleration. With GPyTorch, one can achieve nearly linear scaling with structured kernel interpolation (SKI) and constant-time predictive covariances computation with LanczOs Variance Estimates (LOVE) while preserving accuracy. We also take advantage of the computational power of ThetaGPU, a supercomputer of Argonne Leadership Computing Facility (ALCF). In addition, we implement a scalable, GPU-ready version of Targeted Adaptive Design (TAD), a GP-based data-driven algorithm that efficiently searches the control space of an advanced manufacturing experiment for settings capable of producing a required design within a specified tolerance, despite the poorly known mapping from control settings to design. We finally show our benchmarking for GPyTorch and TAD performance on CPU vs. ThetaGPU and discuss the results and implications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Proceedings for the Workshop on Applied Nuclear Data Activities 2024

The Workshop for Applied Nuclear Data Activities (WANDA) is designed to increase communication among nuclear data (ND) users in multidisciplinary federal programs, ND producers, ND funders, and other ND experts. It also presents an opportunity to cross-pollinate ideas as well as introduce ND gaps identified by federal programs to ND experts and ND capabilities to the various federal ND users. WANDA 2024 included five technical sessions, three of which focused on Fusion Energy Sciences (FES)—FES Fusion Neutronics, FES Tritium Production, and FES Material Damage—and two stand-alone sessions—Isotopes and Targetry for Nuclear Data and Uncertainty Quantification. The FES sessions successfully brought new voices to the WANDA discussions, expanding the application space in which nuclear data are critical. FES programs need accurate nuclear data with realistic uncertainty quantification to properly estimate, for example, shielding, activation, tritium production, helium production, structural material integrity, and superconducting magnet operation. This includes a variety of projectile (neutrons, photons, charged particles) and target atoms. One of the action items common to all the FES sessions was a need to perform sensitivity studies to identify the prioritization of nuclear data needs. The Isotopes and Targetry session highlighted the many capabilities available to produce high-quality targets for nuclear data measurements, including 3D printing with spherical powders, combustion synthesis coupled with spin coating & electrospraying, inkjet printing, and isotopic doping. These new methods open doors for more accurate measurement, but it was also stressed that sample characterization following any method of fabrication is of the highest importance to accurately interpret nuclear data measurement results that used that sample. The Uncertainty Quantification (UQ) session was broken into two categories: nuclear data uncertainty quantification and the use of that uncertainty quantification. Thematic to the UQ session was the loss of information when going from nuclear data measurement, to evaluation, to evaluated file, and finally to neutron transport calculations. Current evaluated ND libraries typically only contain covariances, which assume that the probability distributions are Gaussian. Beyond being a simplified assumption for many evaluations, this can lead to negative values on many observables when attempting to sample the covariance. The covariance format, however, is very efficient in that a simple set of linear equations can transform uncertainty from parameters or cross sections to the application of interest. Focused collaboration is needed between nuclear data evaluators and nuclear data users to ensure that needs are being met.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗