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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Extreme-scale workflows: A perspective from the JLESC international community

The Joint Laboratory for Extreme-Scale Computing (JLESC) focuses on software challenges in high-performance computing systems to meet the needs of today’s science campaigns, which often require large resources, consist of multiple tasks, and generate vast amounts of data. In this context, extreme-scale workflows have been the key factor in enabling scientific discoveries by helping scientists automate the dependencies and data exchanges between workflow tasks, instead of managing those manually. Here, in this paper, we present representative extreme-scale workflows and feature workflow systems developed by JLESC participating institutions. We present lessons learned while developing these tools, alongside with the open challenges and future research directions in the field of extreme-scale workflows.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Utility of Shockley–Read–Hall analysis to extract defect properties from semiconductor minority carrier lifetime data

The semiconductor minority carrier lifetime contains information about several important material properties, including Shockley–Read–Hall defect levels/concentrations and radiative/Auger recombination rates, and the complex relationships between these parameters produce a non-trivial temperature-dependence of the measured lifetime. It is tempting to fit temperature-dependent lifetime data to extract the properties of the Shockley–Read–Hall recombination centers; however, without a priori knowledge of the distribution of the Shockley–Read–Hall states across the bandgap, this fit problem is under-constrained in most circumstances. Shockley–Read–Hall lifetime data are not well-suited for the extraction of Shockley–Read–Hall defect levels but can be used effectively to extract minority carrier recombination lifetimes. The minority carrier recombination lifetime is observed at temperatures below 100 K in a Si-doped n-type InGaAs/InAsSb superlattice, and deviation from its expected temperature-dependence indicates that the capture cross section of the defect associated with Si-doping has an activation energy of 1.5 meV or a characteristic temperature of 17 K. This lower temperature regime is also preferrable for the analysis of the physics of defect introduction with displacement-damage-generating particle irradiation.

Physics↗
DOE OSTI2023

Spatio-Temporal Denoising Graph Autoencoders with Data Augmentation for Missing Photovoltaic Data Imputation

The integration of the global Photovoltaic (PV) market with real time data-loggers has enabled large scale PV data analytical pipelines for power forecasting and long-term reliability assessment of PV fleets. Nevertheless, the performance of PV data analysis heavily depends on the quality of PV timeseries data. This paper proposes a novel Spatio-Temporal Denoising Graph Autoencoder (STD-GAE) framework to impute missing PV Power Data. STDGAE exploits temporal correlation, spatial coherence, and value dependencies from domain knowledge to recover missing data. It is empowered by two modules. (1) To cope with sparse yet various scenarios of missing data, STD-GAE incorporates a domain-knowledge aware data augmentation module that creates plausible variations of missing data patterns. This generalizes STD-GAE to robust imputation over different seasons and environment. (2) STD-GAE nontrivially integrates spatiotemporal graph convolution layers (to recover local missing data by observed “neighboring” PV plants) and denoising autoencoder (to recover corrupted data from augmented counterpart) to improve the accuracy of imputation accuracy at PV fleet level. We have evaluated our proposed model on two realworld PV datasets. Experimental results show that STD-GAE can achieve a gain of 43.14% in imputation accuracy and remains less sensitive to missing rate, different seasons, and missing scenarios, compared with state-of-the-art data imputation methods such as MIDA and LRTC-TNN.

Fan, Yangxin↗
DOE OSTI2025

Fracture Network Quantification during CO2 Injection

This is the presentation prepared for the ARMA 2025 (59th US Rock Mechanics/Geomechanics Symposium) Conference held in Santa Fe, New Mexico, June 8-11, 2025. Accurate mapping and quantification of these networks are essential to ensure the integrity of CO2 storage reservoirs, understand and reduce potential leakage, and maintain long-term environmental safety. This study presents a novel machine learning-driven approach, integrated with geomechanical analysis, to quantify fracture networks and assess their spatial distribution during CO2 injection. This paper combines microseismic monitoring data with principles of hydraulic diffusivity and geomechanical analysis to characterize reservoir scale fracture network. The novelty of our approach lies in its capacity to assimilate time-dependent pressure data and microseismicity into a cohesive framework, which not only identifies microseismic triggering fronts but also tracks fracture distribution during active injection. Besides, leveraging image log data and analysis our approach also provides another angle of the insights to solidate the fracture networks understanding and geomechanical impacts. Key results from our study include the detection of over 100 distinct fracture clusters across the injection site, with fracture orientations strongly correlated with the prevailing in-situ stress field.

CO2 storage and sequestration↗
DOE OSTI2025

Fracture Network Quantification during CO2 Injection

This is the conference paper accompanying an oral presentation at the ARMA 2025 (59th US Rock Mechanics/Geomechanics Symposium) Conference held in Santa Fe, New Mexico, June 8-11, 2025. Accurate mapping and quantification of these networks are essential to ensure the integrity of CO2 storage reservoirs, understand and reduce potential leakage, and maintain long-term environmental safety. This study presents a novel machine learning-driven approach, integrated with geomechanical analysis, to quantify fracture networks and assess their spatial distribution during CO2 injection. This paper combines microseismic monitoring data with principles of hydraulic diffusivity and geomechanical analysis to characterize reservoir scale fracture network. The novelty of our approach lies in its capacity to assimilate time-dependent pressure data and microseismicity into a cohesive framework, which not only identifies microseismic triggering fronts but also tracks fracture distribution during active injection. Besides, leveraging image log data and analysis our approach also provides another angle of the insights to solidate the fracture networks understanding and geomechanical impacts. Key results from our study include the detection of over 100 distinct fracture clusters across the injection site, with fracture orientations strongly correlated with the prevailing in-situ stress field.

CO2 storage and sequestration↗
DOE OSTI2024

Crystal growth and evolution of magnetism in the EuCuP-EuCuAs solid solution

The hexagonal EuMX (M = Cu, Ag, Au; X = P, As, Sb, Bi) compounds host interesting electronic and magnetic properties, with seemingly intertwined topology and transport properties. One key feature of such behavior is the nature of the ordered magnetic structure. In EuCuAs, a topological Hall effect is caused by a conical spin structure that emerges when a field is applied within the easy-plane (H ⊥ c) of the helical ground state that exists below the Neel temperature of T N = 14 K. On the other hand, EuCuP is an easy-axis ferromagnet with a Curie temperature T C near 31 K. Here, in this study, we investigate the evolution of the magnetic properties in EuCuAs 1-x P x single crystals with 0.16 ≤ x ≤ 0.75. Crystals grown by cooling slowly in a Sn flux possessed macroscale inhomogeneity of As/P, particularly for arsenic-rich crystals. However, growth in a Sn flux via an isothermal dwell at 600 °C produced crystals that were homogeneous within the resolution of the probes utilized to investigate these crystals. The unit cell volumes, Curie-Weiss temperatures, and magnetic transitions trend linearly with composition and the magnetic anisotropy is reduced in the alloys. The magnetization data of crystals with x = 0.16 and 0.24 indicate an easy-plane antiferromagnetic ground state while ferromagneticlike behavior is observed for crystals with x ≥ 0.41. The temperature-dependent magnetization data possess multiple transitions for compositions near EuCuAs 0.75 P 0.25 , revealing a competition of ground states in this arsenic-rich region of the phase diagram. Neutron diffraction data for EuCuP are also presented as a follow up to previous results that revealed a two-step transition at T C ; the observed data were consistent with ferromagnetic order at T = 5K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Recent Advances in Small Angle X-ray Scattering for Superlattice Study

Small-angle x-ray scattering is used for the structure determination of superlattice for its superior resolution, nondestructive nature, and high penetration power of x rays. With the advent of high brilliance x-ray sources and innovative computing algorithms, there have been notable advances in small angle x-ray scattering analysis of superlattices. High brilliance x-ray beams have made data analyses less model-dependent. Additionally, novel data acquisition systems are faster and more competitive than ever before, enabling a more accurate mapping of the superlattices' reciprocal space. Fast and high-throughput computing systems and algorithms also make possible advanced analysis methods, including iterative phasing algorithms, non-parameterized fitting of scattering data with molecular dynamics simulations, and the use of machine learning algorithms. As a result, solving nanoscale structures with high resolutions has become an attainable task. In this review, we highlight new developments in the field and introduce their applications for the analysis of nanoscale ordered structures, including nanoparticle supercrystals, nanoscale lithography patterns, and supramolecular self-assemblies. Particularly, we highlight the reciprocal space mapping techniques and the use of iterative phase retrieval algorithms. We also cover coherent-beam-based small angle x-ray scattering techniques such as ptychography and ptycho-tomography in view of the traditional small angle x-ray scattering perspective.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Deep Learning-Based Failure Prognostic Model for PV Inverter Using Field Measurements

Here, this study presents a novel approach for the precise monitoring and prognosis of photovoltaic (PV) inverter status, which is crucial for the proactive maintenance of PV systems. It addresses the gaps in traditional model-based methods, which tend to neglect the overall reliability of inverters, and the limitations of data-driven approaches that largely depend on simulated data. This research presents a robust solution applicable to real-world scenarios. The proposed data-driven model for PV inverter failure prognosis employs actual inverter measurements, integrating various operational and weather-related factors based on domain knowledge. This approach effectively represents inverter stressors and operational status. Utilizing an Enhanced Siamese Convolutional Neural Network (ESCNN), the model merges operational data with domain knowledge features, redefining the prognosis challenge as a classification task. Furthermore, the paper discusses an ESCNN-based real-time inverter failure monitoring method developed on the well-trained model. The proposed models are rigorously trained and tested with real inverter data and a novel filtering method is included to address accidental failures in practical scenarios. The results validate the model's efficacy, and the directions for future research are also outlined.

42 ENGINEERING↗
DOE OSTI2025

Dual modulation of the anion-driven thermodynamic properties of aqueous choline halide-based deep eutectic solvents

Deep eutectic solvents (DESs) are considered tunable solvents because their specific properties can be achieved based on the choice of components and their relative concentrations in a mixture. In this article, we investigate the influence of the variation in halide ions (F − , Cl − , Br − , I − ) of choline salts used on the thermodynamic and physicochemical properties of choline halide-based DESs. Our findings show that the density of choline halide-based DESs decreases nonlinearly with an increasing mole fraction of water, following a trend based on the size of the halides, with choline iodide showing the highest density. Temperature-dependent density data reveal that the thermal expansion coefficient decreases slightly with increasing water content, indicating a more stable volume at a higher mole fraction of water. The excess molar volume (V E ) of the DES mixtures exhibits complex behavior depending on the choline halide used, with both negative and positive V E values observed across different water mole fractions. These variations are linked to the hydrogen bonding interactions between the DES components and water molecules. In addition, viscosities decrease with increasing water content, suggesting the disruption of hydrogen bonding networks and enhanced mobility of the ions, which contributes to the observed increase in conductivity. The excess molar Gibbs energies, enthalpies, and entropies of activation have also been determined.

Choline halide↗
DOE OSTI2025

Reducing the Parameter Dependency of Phase-Picking Neural Networks with Dice Loss

Training a neural network for picking seismic phase arrivals has been commonly posed as a segmentation problem. It is a highly imbalanced segmentation problem in the sense that the background vastly dominates the foreground because we are trying to pick the optimal single sample point that represents the arrival of a seismic phase in a many seconds long time window. Here, we test the Dice loss, which is a preferred loss function for highly imbalanced image segmentation problems. We show that phase-picking neural networks trained on the Dice loss behave in a binary fashion for which the prediction output is almost always either nearly 1 or nearly 0. This feature removes the strong dependence of data processing workflows on the prediction score threshold, which is an otherwise critical parameter to determine when using neural networks trained on the cross-entropy loss. When strategically used, models trained on the Dice loss can reduce the parameter dependency of machine learning-based seismic monitoring.

58 GEOSCIENCES↗
DOE OSTI2024

DESI 2024: reconstructing dark energy using crossing statistics with DESI DR1 BAO data

Here, we implement Crossing Statistics to reconstruct in a model-agnostic manner the expansion history of the universe and properties of dark energy, using DESI Data Release 1 (DR1) BAO data in combination with one of three different supernova compilations (PantheonPlus, Union3, and DES-SN5YR) and Planck CMB observations. Our results hint towards an evolving and emergent dark energy behaviour, with negligible presence of dark energy at z ≳ 1, at varying significance depending on data sets combined. In all these reconstructions, the cosmological constant lies outside the 95% confidence intervals for some redshift ranges. This dark energy behaviour, reconstructed using Crossing Statistics, is in agreement with results from the conventional w 0 –w a dark energy equation of state parametrization reported in the DESI Key cosmology paper. Our results add an extensive class of model-agnostic reconstructions with acceptable fits to the data, including models where cosmic acceleration slows down at low redshifts. We also report constraints on H 0 r d from our model-agnostic analysis, independent of the pre-recombination physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

DESI Data Release 2 ELGs: Property-dependent subsamples, imaging systematics, and clustering

Using emission-line galaxies (ELGs) from the Dark Energy Spectroscopic Instrument (DESI) Data Release 2, we evaluate a property-dependent correction to imaging systematics. We derive systematic weights following the same linear regression method used for other DESI tracers, but do so separately on ELG subsamples to provide a physically-informed alternative to the fiducial, neural-network-based approach. In doing so, we show that the deeper imaging in the Dark Energy Survey (DES) footprint leads to a higher overall number density but a lack of targets with extreme $g-r$ and $r-z$ colors. ELGs in the DES region also show a distinct redshift distribution when subsampled by position in the $g-r$ vs. $r-z$ plane. To address these effects, we implement a separate treatment of the DES footprint within the DESI catalog production pipeline, which is generally well-motivated and, in some cases, imperative for accurate clustering measurements. With DES treated separately, we find that property-dependent systematic weights further mitigate spurious clustering signal in $\sim$10% of subsamples, while the fiducial scheme remains optimal for the full sample.

Hagen, T. [Utah U.]↗
DOE OSTI2021

Thermal WIMPs and the scale of new physics: global fits of Dirac dark matter effective field theories

We assess the status of a wide class of WIMP dark matter (DM) models in light of the latest experimental results using the global fitting framework GAMBIT. We perform a global analysis of effective field theory (EFT) operators describing the interactions between a gauge-singlet Dirac fermion and the Standard Model quarks, the gluons and the photon. In this bottom-up approach, we simultaneously vary the coefficients of 14 such operators up to dimension 7, along with the DM mass, the scale of new physics and several nuisance parameters. Our likelihood functions include the latest data from Planck, direct and indirect detection experiments, and the LHC. For DM masses below 100 GeV, we find that it is impossible to satisfy all constraints simultaneously while maintaining EFT validity at LHC energies. For new physics scales around 1 TeV, our results are influenced by several small excesses in the LHC data and depend on the prescription that we adopt to ensure EFT validity. Furthermore, we find large regions of viable parameter space where the EFT is valid and the relic density can be reproduced, implying that WIMPs can still account for the DM of the universe while being consistent with the latest data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Exploratory Efforts to Constrain Geologic Material Properties from Remote Sensing Data: Joint Study (FY2020 Final Report)

Identification and characterization of underground events from surface or remote data requires a thorough understanding of the rock material properties. However, material properties usually come from borehole data, which is expensive and not always available. A potential alternative is to use topographic characteristics to approximate the strength, but this has never been done before quantitatively. Here we present the results from the first steps towards this goal. We have found that there are strong correlations between compressive and tensile strengths and slopes, but these correlations vary depending on data analysis details. Rugosity may be better correlated to strength than slope values. More comprehensive analyses are needed to fully understand the best method of predicting strength from topography for this area. We also found that misalignment of multiple GIS datasets can have a large influence on the ability to make interpretations. Lastly, these results will require further study in a variety of climatic conditions before being applicable to other sites.

58 GEOSCIENCES↗
DOE OSTI2021

Exploratory Efforts to Constrain Geologic Material Properties from Remote Sensing Data: A Joint Study

Identification and characterization of underground events from surface or remote data requires a thorough understanding of the rock material properties. However, material properties usually come from borehole data, which is expensive and not always available. A potential alternative is to use topographic characteristics to approximate the strength, but this has never been done before quantitatively. Here we present the results from the first steps towards this goal. We have found that there are strong correlations between compressive and tensile strengths and slopes, but these correlations vary depending on data analysis details. Rugosity may be better correlated to strength than slope values. More comprehensive analyses are needed to fully understand the best method of predicting strength from topography for this area. We also found that misalignment of multiple GIS datasets can have a large influence on the ability to make interpretations. Lastly, these results will require further study in a variety of climatic conditions before being applicable to other sites.

42 ENGINEERING↗
DOE OSTI2023

Accounting for Changes in Radiation Improves the Ability of SIF to Track Water Stress-Induced Losses in Summer GPP in a Temperate Deciduous Forest

Global observations of solar-induced chlorophyll fluorescence (SIF) are available from multiple satellite platforms, and SIF is increasingly used as a proxy for photosynthetic activity and ecosystem productivity. Because the relationship between SIF and gross primary productivity (GPP) depends on a variety of factors including ecosystem type and environmental conditions, it is necessary to study SIF observations across various spatiotemporal scales and ecosystems. To explore how SIF signals relate to productivity over a temperate deciduous forest, we deployed a PhotoSpec spectrometer system at the University of Michigan Biological Station AmeriFlux site (US-UMB) in the northern Lower Peninsula of Michigan during the 2018 and 2019 growing seasons. We found that SIF correlated with GPP across diurnal and seasonal cycles (R 2 = 0.61 and 0.64 for 90-min- and daily-averaged data), but that SIF signals were more strongly related to downwelling radiation than GPP (R 2 = 0.91 for daily-averaged data). The dependence of SIF on radiation obscured the impact of intraseasonal drought in the SIF timeseries, but drought stress was apparent as a decrease in relative SIF, which exhibited a stronger correlation with GPP (R 2 = 0.56) than other remotely sensed data over the drought period. These results highlight the potential of SIF for detecting stress-induced losses in forest productivity. Additionally, we found that the red:far-red SIF ratio did not exhibit a response to water stress-induced losses in productivity, but was largely driven by seasonal and interannual changes in canopy structure, as well as by synoptic changes in downwelling radiation.

54 ENVIRONMENTAL SCIENCES↗