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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Contribution of Anthropogenic Warming to California Drought During 2012-2014

A suite of climate data sets and multiple representations of atmospheric moisture demand are used to calculate many estimates of the self-calibrated Palmer Drought Severity Index, a proxy for near-surface soil moisture, across California from 1901 to 2014 at high spatial resolution. Based on the ensemble of calculations, California drought conditions were record breaking in 2014, but probably not record breaking in 2012-2014, contrary to prior findings. Regionally, the 2012-2014 drought was record breaking in the agriculturally important southern Central Valley and highly populated coastal areas. Contributions of individual climate variables to recent drought are also examined, including the temperature component associated with anthropogenic warming. Precipitation is the primary driver of drought variability but anthropogenic warming is estimated to have accounted for 8-27 percent of the observed drought anomaly in 2012-2014 and 5-18 percent in 2014. Although natural variability dominates, anthropogenic warming has substantially increased the overall likelihood of extreme California droughts.

California↗
NASA NTRS2023

Experimental Investigation of Distributed Sand-Grain Roughness Effects on Transition Onset and Turbulent Heating at Mach 6

An experimental investigation of distributed sand-grain surface roughness effects on hypersonic boundary-layer transition and turbulent heating has been performed. Two representative entry vehicle geometries, a sphere-cone aeroshell and a spherical-cap aeroshell, were considered. Cast ceramic models of each geometry were fabricated with distributed sand-grain roughness patterns of different heights that simulated an ablated thermal protection system. Wind tunnel testing was performed at Mach 6 over a range of Reynolds numbers sufficient to produce laminar, transitional, and turbulent flow. Aeroheating and boundary-layer transition onset data were obtained using global phosphor thermography. The experimental heating data are presented herein, as are comparisons to laminar and turbulent smooth-wall heat transfer distributions from computational flow field simulations. The boundary-layer transition data were found to correlate with a functional representation developed in prior roughness studies, although the data scatter was greater owing to the height variability of distributed sand-grain roughness.

Brian R Hollis↗
DOE OSTI2025

Calorimeter Pileup Deconvolution for Online Trigger Primitives

In high energy physics experiment, as the luminosity increases, pile-up issues on detectors such as calorimeters become non-negligible. Deconvolution approaches with mathematic pre-assumptions such as Sparse Representation are developed for data analysis stage. For online computation tasks such as for trigger primitive creation, signal availability is significantly different as in offline data analysis stage, and therefore, different (yet simpler) algorithms should be explored. In this document, several approaches of deconvolution suitable for FPGA implementation are discussed.

Wu, Jin-yuan [Fermilab] (ORCID:0000000344329521)↗
NASA NTRS2022

Improved representation of agricultural land use and crop management for large-scale hydrological impact simulation in Africa using SWAT+

To date, most regional and global hydrological models either ignore the representation of cropland or consider crop cultivation in a simplistic way or in abstract terms without any management practices. Yet, the water balance of cultivated areas is strongly influenced by applied management practices (e.g. planting, irrigation, fertilization, and harvesting). The SWAT+ (Soil and Water Assessment Tool) model represents agricultural land by default in a generic way, where the start of the cropping season is driven by accumulated heat units. However, this approach does not work for tropical and subtropical regions such as sub-Saharan Africa, where crop growth dynamics are mainly controlled by rainfall rather than temperature. In this study, we present an approach on how to incorporate crop phenology using decision tables and global datasets of rainfed and irrigated croplands with the associated cropping calendar and fertilizer applications in a regional SWAT+ model for northeastern Africa. We evaluate the influence of the crop phenology representation on simulations of leaf area index (LAI) and evapotranspiration (ET) using LAI remote sensing data from Copernicus Global Land Service (CGLS) and WaPOR (Water Productivity through Open access of Remotely sensed derived data) ET data, respectively. Results show that a representation of crop phenology using global datasets leads to improved temporal patterns of LAI and ET simulations, especially for regions with a single cropping cycle. However, for regions with multiple cropping seasons, global phenology datasets need to be complemented with local data or remote sensing data to capture additional cropping seasons. In addition, the improvement of the cropping season also helps to improve soil erosion estimates, as the timing of crop cover controls erosion rates in the model. With more realistic growing seasons, soil erosion is largely reduced for most agricultural hydrologic response units (HRUs), which can be considered as a move towards substantial improvements over previous estimates. We conclude that regional and global hydrological models can benefit from improved representations of crop phenology and the associated management practices. Future work regarding the incorporation of multiple cropping seasons in global phenology data is needed to better represent cropping cycles in areas where they occur using regional to global hydrological models.

crop phenology↗
DOE OSTI2023

Rapid design of top-performing metal-organic frameworks with qualitative representations of building blocks

Abstract Data-driven materials design often encounters challenges where systems possess qualitative (categorical) information. Specifically, representing Metal-organic frameworks (MOFs) through different building blocks poses a challenge for designers to incorporate qualitative information into design optimization, and leads to a combinatorial challenge, with large number of MOFs that could be explored. In this work, we integrated Latent Variable Gaussian Process (LVGP) and Multi-Objective Batch-Bayesian Optimization (MOBBO) to identify top-performing MOFs adaptively, autonomously, and efficiently. We showcased that our method (i) requires no specific physical descriptors and only uses building blocks that construct the MOFs for global optimization through qualitative representations, (ii) is application and property independent, and (iii) provides an interpretable model of building blocks with physical justification. By searching only ~1% of the design space, LVGP-MOBBO identified all MOFs on the Pareto front and 97% of the 50 top-performing designs for the CO 2 working capacity and CO 2 /N 2 selectivity properties.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Assessing Metal Ion Assignment Accuracy in Protein Data Bank Models via Elemental Spectroscopy

Accurate representation of metal ions in macromolecular structures is critical for chemical interpretation, computational modeling, and machine-learning methods that rely on Protein Data Bank (PDB) entries. However, the elemental identity of metals modeled in crystallographic structures is often inferred indirectly and rarely validated experimentally. Here, we combine Particle Induced X-ray Emission (PIXE) and X-ray Fluorescence Spectroscopy (XRFS) to determine the elemental composition of protein samples used to generate 70 deposited metalloprotein crystal structures. By analyzing the original protein material employed for crystallization, but before the addition of crystallization buffer solutions, we assess whether the modeled metal ions in deposited structures are consistent with experimentally detectable elemental content. We find that in a majority of cases, the metals modeled in the corresponding PDB entries are inconsistent with the metals present in the protein samples before crystallization, or that additional metals are present but not represented in the structural models. Spectroscopic results were integrated with automated crystallographic validation metrics, including real-space Z-difference (RSZD) analysis and systematic rerefinement, to evaluate atomic-number mismatch at metal sites. PIXE and XRFS show strong agreement for dominant elemental signals and provide complementary, scalable approaches for identifying suspect metal assignments. This work does not address physiological or functional metalation but instead highlights a widespread data integrity issue in deposited macromolecular structures, PDB-wide. These results establish an experimentally corroborated link between elemental identity and crystallographic validation metrics, enabling the large-scale detection of chemically inconsistent annotations in structural databases used for computational modeling and machine learning.

Crystallization↗
DOE OSTI2026

Unbinned extraction of $γ$ from $B\to DK$ with normalizing flows

We introduce an unbinned method for extracting the CKM angle $γ$ from the decay chain $B^\pm \to (D \to K_S π^+ π^-) K^\pm$ using normalizing flows (NFs). The NFs, trained on $D$ decay data, learn a faithful continuous representation of the amplitude and strong phase variation over the $D\to K_Sπ^+π^-$ Dalitz plot whose fidelity improves with increased data sample sizes. With this input, the $B$ decay data can be used to extract the parameters $r_B$, $δ_B$, and $γ$. We test the method on Monte Carlo generated data, where it successfully recovers the injected value of $γ$ within uncertainties. The present implementation propagates statistical uncertainties from finite training data via an ensemble of independently trained flows, and does not attempt to capture the effects of systematic experimental errors. We explore two versions of the method that differ in how the trigonometric constraint on phase variation is encoded, and comment on the possible extension to Bayesian NFs, which would provide direct uncertainty estimates on the learned densities without requiring ensemble training.

Grossman, Yuval [Cornell U., LEPP]↗
DOE OSTI2021

DNTTD (Distributed Non-Negative Tensor Train Decomposition)

The era of exascale computing opens new venues for innovations and discoveries in many scientific, engineering, and commercial fields. However, with the exa flops also come the extra-large high-dimensional data generated by high performance computing. High-dimensional data is presented as multidimensional arrays, aka tensors. The presence of latent (not directly observable) structures in the tensor allows a unique representation and compression of the data by classical tensor factorization techniques. However, the classical tensor methods are not always stable or they can be exponential in their memory requirements, which makes them not suitable for high-dimensional tensors. Tensor train (TT) is a state-of-the-art tensor network introduced for factorization of high-dimensional tensors. TT transforms the initial high-dimensional tensor in a network of three-dimensional tensors that requires only a linear storage. Many real-world data, such as, density, temperature, population, probability, etc., are non-negative and for an easy interpretation, the algorithms preserving non-negativity are preferred. Here, we introduce a distributed non-negative tensor-train and demonstrate its scalability and the compression on synthetic and real world big datasets.

Bhattarai, Manish↗
DOE OSTI2025

Learning nuclear cross sections across the chart of nuclides with graph neural networks

We explore the use of deep learning techniques to learn how nuclear cross sections change as we add or remove protons and neutrons. As a proof of principle, we focus on the neutron-induced reactions in the fast energy regime. Our approach follows a two-stage learning framework. First, we apply representation learning to encode cross section data into a latent space using either variational autoencoders (VAEs) or implicit neural representations (INRs). Then, we train graph neural networks (GNNs) on the resulting embeddings to predict missing values across the nuclear chart by leveraging the topological structure of neighboring isotopes. We demonstrate accurate cross section predictions within a 9 × 9 block of missing nuclei. We also find that the optimal GNN training strategy depends on the type of latent representation used, with VAE embeddings performing best under end-to-end optimization in the original space, while INR embeddings achieve better results when the GNN is trained only in the latent space. Furthermore, using clustering algorithms, we map groups of latent vectors into regions of the nuclear chart and show that VAEs and INRs can discover some of the neutron magic numbers. These findings suggest that deep-learning models based on the representation encoding of cross sections combined with graph neural networks hold significant potential in augmenting nuclear theory models, e.g., by providing reliable estimates of covariances of cross sections, including cross-material covariances.

Machine learning↗
NASA NTRS1987

Presentations by participants (edited and condensed)

The utility of Geomagnetic Automonous Shuttle-Launched Probe (GASP) for studying the earth's crust can be characterized in terms of lithospheric contributions by past satellite programs. In contrast to the POGO and MAGSAT satellites, GASP will orbit at a lower elevation to provide better resolved lithospheric magnetic anomalies for more detailed and improved geologic analysis. In the geological representation of satellite magnetic anomaly data, two current approaches can serve the analysis of GASP observations. When global scale coverage is available, spherical harmonic expansions of the observations may be utilized. When satellite elevation data is used, a useful and efficient approach is to determine the physical properties of an array of point equivalent sources by least squares matrix inversion of the observations, which will closely duplicate the observed field. An important preliminary step in the representation of satellite magnetic observations by either approach, is to register the data at constant elevation over uniform intervals of latitude and longitude. Further applications of GASP are discussed.

Vonfrese, R. R. B.↗
NASA NTRS1987

Foundation: Transforming data bases into knowledge bases

One approach to transforming information stored in relational data bases into knowledge based representations and back again is described. This system, called Foundation, allows knowledge bases to take advantage of vast amounts of pre-existing data. A benefit of this approach is inspection, and even population, of data bases through an intelligent knowledge-based front-end.

Purves, R. B.↗
NASA NTRS1992

More-Precise Calibration Of Polarimetric SAR

Algorithm for calibration of polarimetric synthetic-aperture-radar (SAR) data in Stokes-matrix representation more nearly exact. Present algorithm resembles prior algorithm closely, except requires extraction of one additional parameter from high-resolution raw SAR data in scattering-matrix format before compression and transformation to Stokes-matrix format and slight change in subalgorithm compressing those data.

Freeman, Anthony↗
DOE OSTI2025

Semi-supervised permutation invariant particle-level anomaly detection

The development of analysis methods to distinguish potential beyond the Standard Model phenomena in a model-agnostic way can significantly enhance the discovery reach in collider experiments. However, the typical machine learning (ML) algorithms employed for this task require fixed length and ordered inputs that break the natural permutation invariance in collision events. To address this, a semi-supervised anomaly detection tool is presented that takes a variable number of particle-level inputs and leverages a signal model to encode this information into a permutation invariant, event-level representation via supervised training with a Particle Flow Network (PFN). Data events are then encoded into this representation and given as input to an autoencoder for unsupervised ANomaly deTEction on particLe flOw latent sPacE (ANTELOPE), classifying anomalous events based on a low-level and permutation invariant input modeling. Performance of the ANTELOPE architecture is evaluated on simulated samples of hadronic processes in a high energy collider experiment, showing good capability to distinguish disparate models of new physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2013

Evaluation of MODIS Albedo Product (MCD43A) over Grassland, Agriculture and Forest Surface Types During Dormant and Snow-Covered Periods

This study assesses the Moderate-resolution Imaging Spectroradiometer (MODIS) BRDF/albedo 8 day standard product and products from the daily Direct Broadcast BRDF/albedo algorithm, and shows that these products agree well with ground-based albedo measurements during the more difficult periods of vegetation dormancy and snow cover. Cropland, grassland, deciduous and coniferous forests are considered. Using an integrated validation strategy, analyses of the representativeness of the surface heterogeneity under both dormant and snow-covered situations are performed to decide whether direct comparisons between ground measurements and 500-m satellite observations can be made or whether finer spatial resolution airborne or spaceborne data are required to scale the results at each location. Landsat Enhanced Thematic Mapper Plus (ETM +) data are used to generate finer scale representations of albedo at each location to fully link ground data with satellite data. In general, results indicate the root mean square errors (RMSEs) are less than 0.030 over spatially representative sites of agriculture/grassland during the dormant periods and less than 0.050 during the snow-covered periods for MCD43A albedo products. For forest, the RMSEs are less than 0.020 during the dormant period and 0.025 during the snow-covered periods. However, a daily retrieval strategy is necessary to capture ephemeral snow events or rapidly changing situations such as the spring snow melt.

MODIS↗
DOE OSTI2023

gLaSDI: Parametric physics-informed greedy latent space dynamics identification

A parametric adaptive physics-informed greedy Latent Space Dynamics Identification (gLaSDI) method is proposed for accurate, efficient, and robust data-driven reduced-order modeling of high-dimensional nonlinear dynamical systems. In the proposed gLaSDI framework, an autoencoder discovers intrinsic nonlinear latent representations of high-dimensional data, while dynamics identification (DI) models capture local latent-space dynamics. Here, an interactive training algorithm is adopted for the autoencoder and local DI models, which enables identification of simple latent-space dynamics and enhances accuracy and efficiency of data-driven reduced-order modeling. To maximize and accelerate the exploration of the parameter space for the optimal model performance, an adaptive greedy sampling algorithm integrated with a physics-informed residual-based error indicator and random-subset evaluation is introduced to search for the optimal training samples on the fly. Further, to exploit local latent-space dynamics captured by the local DI models for an improved modeling accuracy with a minimum number of local DI models in the parameter space, a -nearest neighbor convex interpolation scheme is employed. The effectiveness of the proposed framework is demonstrated by modeling various nonlinear dynamical problems, including Burgers equations, nonlinear heat conduction, and radial advection. The proposed adaptive greedy sampling outperforms the conventional predefined uniform sampling in terms of accuracy. Compared with the high-fidelity models, gLaSDI achieves 17 to 2,658× speed-up with 1 to 5% relative errors.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Using XR for Improving Scientific Discovery With Numerical Weather Models

Earth science (ES) digital twins will help us understand the complex interactions and interrelationships that make up our Earth system and the impacts of earth science phenomena on it. Our work addresses two underdeveloped areas in current ES digital twin work: improving the understanding and interaction with ES model outputs by using Virtual and Mixed Reality (XR) tools and improving the non-intuitive mapping of continuous ES natural phenomena to gridded reference frames in current numerical models. Traditionally, scientists working on ES view and analyze the results of calculated or measured observables with static 1-dimensional (1D), 2D or 3D plots displayed on flat computer screens or paper. Using such limited mediums, it can be very difficult to identify, track and understand the evolution of key features due to poor viewing angles and the nature of flat computer screens. In addition, numerical models, such as the NASA Goddard Earth Observing System (GEOS) ES model, are almost exclusively formulated, visualized and analyzed in an Eulerian reference frame with fixed grid points in space and time. However, ES phenomena such as convective clouds, hurricanes and wildfire smoke plumes are visualized and analyzed in a Lagrangian reference frame: therefore it is often difficult and unnatural to understand these phenomena in relation to each other, visualized either in an Eulerian or Lagrangian context. In 3D visualizations, data generally takes one of three forms: gridded (e.g., voxelized) data, where space is divided into regions; point clouds, where data is represented as a set of points; and meshes, where objects are rendered as surfaces composed of small polygons (usually triangles). A gridded, Eulerian reference frame has been the default representation for the 2D visual analysis of atmospheric data in part because the numerical methods used to generate atmospheric model data in the first place use a gridded approach, with equations defining the relationships between the physical variables in each of a grid's cells across successive timesteps. In our work, we are particularly interested in data from GEOS. Another reason why gridded representations tend to be used for visualizing data from such models is because trajectories are difficult to interpret from representations on 2D surfaces, due to line-of-sight ambiguity. Instead of a fixed grid from GEOS, we embed a trajectory model to simulate particles' movement throughout a GEOS run. We then ingest these particle trajectories as animated point clouds with a NASA open source XR toolkit, the Mixed Reality Exploration Toolkit (MRET), and merge GEOS data with ES phenomena data onto one combined visualization that the user can intuitively interact with. Efficient rendering of arbitrarily large point clouds is an ongoing challenge being addressed by the computer science community, with the GPU-based optimizations and efficient GPU memory utilization a common theme of recent advances, especially for XR, where sustained high frame rate is mandatory to save the user from suffering due to simulation sickness. In this work, we describe and evaluate our progress in choosing and implementing appropriate methods for rendering arbitrarily large point clouds within MRET for XR. While tracking the XR headset enables the immersion of a user within a 3D scene of a data visualization, tracking of XR handheld controllers or user’s hands enables us to implement intuitive user interactions with the visualized datasets. Conventional tools require a user working with an ES visualization to conduct many interactions to commit their intended selections or manipulations with a visualized dataset; for example to specify a set of points in 3D space. Doing so in a 2D flat screen interface has traditionally required specifying a set of points in three distinct 2D coordinate systems (XY, XZ, and YZ), which is cumbersome. In other scientific domains, it has been shown that specifying or selecting a location or volume in XR using handheld controllers or tracked hands allows for greater speed and accuracy. We anticipate the same will hold true for atmospheric data, and we will share initial results of measuring the utility of such an interface. Notably, as the data being visualized is generated by GEOS as a prediction based on initial conditions, an intended application of our tool is to serve as part of an iterative feedback loop. Through XR, a scientist will review and manipulate a GEOS model run, modifying the conditions as needed to do subsequent runs of GEOS. Thereby, XR-based improvements to speed and accuracy of 3D tagging of points minimizes the effort required by both the scientist and the computer cluster conducting the necessary calculations.

Thomas Grubb↗
NASA NTRS1971

Generation of long time creep data on refractory alloys at elevated temperatures

Ultrahigh vacuum creep tests were performed on tungsten, molybdenum, and tantalum alloys to develop design creep data and to evaluate the influence of liquid lithium exposure on the creep resistance of a tantalum alloy. Test conditions were generally selected to provide 1% creep in 1000 to 10,000 hours, with the test temperatures ranging between 1600 and 2900 F (1144 K and 1866 K). One percent creep life data from a tantalum-base T-111 alloy (Ta-8%W-2%Hf) were analyzed using a station function method to provide an improved parametric representation of the T-111 data. In addition, the minimum creep rate data from an ASTAR 811C alloy (Ta-8%W-1%Re-0.7%Hf0.025%C) were analyzed to determine the stress and temperature dependence of creep rate. Results of this analysis indicated that the activation energy for creep decreased from about 150 Kcal/mole (5130 J/mole) above 2400 F (1589 K) to about 110 Kcal/mole (3760 J/mole) below 2000 F (1361 K). This temperature range corresponds to the range where the creep mechanism changes from grain boundary sliding to intragranular creep.

Sheffler, K. D.↗
DOE OSTI2026

Leveraging Large Language Models for Understanding Fundamental Principles of Catalysis

Heterogeneous catalysis presents a distinct challenge for artificial intelligence (AI). Data sets are often small and inconsistently reported, catalyst representations are not standardized, and extracting fundamental knowledge requires integrating performance data, spectroscopic characterizations, and mechanistic models across multiple scales. Language offers a unifying representation across these modalities, making catalysis well suited for leveraging large language models (LLMs). By standardizing how catalytic data is represented, LLMs make dispersed experimental results more accessible to downstream statistical modeling. In this perspective, we focus our discussion around three opportunities where LLMs can significantly contribute to catalysis: (1) text to properties; (2) text to structure; and (3) text to mechanistic models. The discussion is followed by a perspective section on LLM-readiness of data, aligning LLM outputs with scientific correctness, and bridging lab-scale discovery to industrial deployment. Across each area, the most productive applications couple dispersed chemical knowledge with physics-grounded validation to produce verifiable hypotheses and actionable representations.

Catalysts↗