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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Influence of Vegetation Canopy Architecture on Dynamics of Spatiotemporal Light Distribution and its Effect on Land-Biosphere-Atmosphere Fluxes of Energy, Carbon, and Water

The dynamic spatiotemporal distribution of light and micro climatic variables (wind speed, atmospheric CO 2 concentration, humidity, pressure, and air temperature) within the plant canopy as determined by the canopy architecture play a critical role in land-biosphere-atmosphere (LBA) photosynthetic carbon uptake, transpiratory water loss and energy partitioning. Vegetation models that include effects of sun and shade flecks, leaf temperature and energy balance partitioning between sensible and latent heat fluxes, and reduced turbulent mixing in dense vegetation canopies can accurately predict canopy performance, particularly its shaded leaves, which can constitute 80% of leaf area and contribute up to 50% of carbon update and 65% of water loss. However, current vegetation models with their bulk characterization of shaded leaves poorly represent the complex three dimensional (3D) canopy architecture are insufficient to capture the spatiotemporal dynamics of shaded leaves. Here, we propose to employ an x-ray computed tomography (XCT) imaging technique in combination with an automated, high throughput, image processing pipeline (3DArch, to be developed) to obtain an explicit 3D triangulated surface mesh of a plant canopy (Fig 1). 3DArch would provide a much needed technological jump in 3D LBA modeling where computer generated artificial 3D models suffer from lack of high resolution detailed canopy architecture parameters. The 3D canopy surface mesh output from 3DArch is coupled with an explicit 3D forward ray tracing model (fastTracer) to obtain a high resolution representation of the dynamic spatiotemporal light environment within the canopy over the course of a day (Fig 1). The results from the light attenuation model are then coupled with a process based multi-scale bio-physical canopy and leaf model of photosynthesis (PlantGro) to get fluxes of carbon, water and energy at the leaf and canopy scale, in addition to estimating whole plant carbon uptake, and water loss. Our proposed model framework would be the first of its kind to provide a breakthrough capability in the field of process-based plant modeling that bridges the key technological gap in shaded leaf modeling through explicit representation of 3D canopy architecture. Computer generated artificial 3D model canopy simulations on grasses show that the canopy light distribution does not follow an exponential behavior as assumed in most 1D vegetation models, but rather exhibits a heterogeneous behavior, with a small but significant portion of interior canopy leaves experiencing peak light levels due to sun flecks while the rest of the canopy receives substantially lower light levels. These results indicate a bias in traditional models that overestimates shaded leaf contribution towards whole canopy photosynthesis by up to 15% and underestimate transpiration by up to 12% with an associated increase in sensible heat fluxes since photosynthesis, transpiration and energy partitioning are tightly coupled processes. However, these test results need to be validated using the 3D architecture obtained from a real plant imaged in 3D using 3DArch, rather than an artificial model plant. Our proposed model framework would allow us to identify inefficiencies in canopy light distribution and prescribe optimal canopy architectures (leaf optical properties, leaf area, leaf angles, row spacing, planting density, etc.) to traditional and genetic engineering based crop breeders, for maximizing target functions such as light use efficiency, water use efficiency, drought tolerance, crop yield, crop resilience etc., with important applications in biofuel crops such as sorghum, and switchgrass. Our model can also be applied for designing optimal canopy architecture that increase surface albedo as a mitigation strategy for global warming and projections of crop yield for future food and water security under climate change.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Empirical relationships between environmental factors and soil organic carbon produce comparable prediction accuracy as the Machine Learning

Accurate representation of environmental controllers of soil organic carbon (SOC) stocks in Earth System Model (ESM) land models could reduce uncertainties in future carbon-climate feedback projections. Using empirical relationships between environmental factors and SOC stocks to evaluate land models can help modelers understand prediction biases beyond what can be achieved with the observed SOC stocks alone. In this study, we used 31 observed environmental factors, field SOC observations (n = 6,213) from the continental US, and two Machine Learning approaches [Random Forest (RF) and Generalized Additive Modeling (GAM)] to (1) select important environmental predictors of SOC stocks, (2) derive empirical relationships between environmental factors and SOC stocks, and (3) use the derived relationships to predict SOC stocks and compare the prediction accuracy of simpler model developed with the machine learning predictions. Out of the 31 environmental factors we investigated, 12 were identified as important predictors of SOC stocks by the RF approach. In contrast, the GAM approach identified six (of those 12) environmental factors as important controllers of SOC stocks: potential evapotranspiration, normalized difference vegetation index, soil drainage condition, precipitation, elevation, and net primary productivity. The GAM approach showed minimal SOC predictive importance of the remaining six environmental factors identified by the RF approach. Our derived empirical relations produced comparable prediction accuracy as the GAM and RF approach using only a subset of environmental factors. The empirical relationships we derived using the GAM approach can serve as important benchmarks to evaluate environmental control representations of SOC stocks in ESMs, which could reduce uncertainty in predicting future carbon-climate feedbacks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Understanding Precipitation Bias Sensitivities in E3SM-Multi-Scale Modeling Framework From a Dilution Framework

We investigate a set of Energy Exascale Earth System Model Multi-scale modeling framework (MMF) (E3SM-MMF) simulations that vary the dimensionality and momentum transport configurations of the embedded cloud-resolving models (CRMs), including unusually ambitious 3D configurations. Issues endemic to all MMF simulations include too much Intertropical Convergence Zone rainfall and too little over the Amazon. Systematic MMF improvements include more on-equatorial rainfall across the Warm Pool. Interesting sensitivities to the CRM domain are found in the regional time-mean precipitation pattern over the tropics. The 2D E3SM-MMF produces an unrealistically rainy region over the northwestern tropical Pacific; this is reduced in computationally ambitious 3D configurations that use 1,024 embedded CRM grid columns per host cell. Trajectory analysis indicates that these regional improvements are associated with desirably fewer tropical cyclones and less extreme precipitation rates. To understand why and how the representation of precipitation improved in 3D, we propose a framework that dilution is stronger in 3D. This viewpoint is supported by multiple indirect lines of evidence, including a delayed moisture-precipitation pickup, smaller precipitation efficiency, and amplified convective mass flux profiles and more high clouds. We also demonstrate that the effects of varying embedded CRM dimensionality and momentum transport on precipitation can be identified during the first few simulated days, providing an opportunity for rapid model tuning without high computational cost. Meanwhile the results imply that other less computationally intensive ways to enhance dilution within MMF CRMs may also be strategic tuning targets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Leveraging Community and Author Context to Explain the Performance and Bias of Text-Based Deception Detection Models

Deceptive news posts shared in online communities can be detected with NLP models, and much recent research has focused on the development of such models. In this work, we use characteristics of online communities and authors --- the context of how and where content is posted --- to explain the performance of a neural network deception detection model and identify sub-populations who are disproportionately affected by model accuracy or failure. We examine who is posting the content, and where the content is posted to. We find that while author characteristics are better predictors of deceptive content than community characteristics, both characteristics are strongly correlated with model performance. Traditional performance metrics such as F1 score may fail to capture poor model performance on isolated sub-populations such as specific authors, and as such, more nuanced evaluation of deception detection models is critical.

machine learning (ML), machine learning explanatio↗
DOE OSTI2020

Machine learning and ligand binding predictions: A review of data, methods, and obstacles

We report that computational predictions of ligand binding is a difficult problem, with more accurate methods being extremely computationally expensive. The use of machine learning for drug binding predictions could possibly leverage the use of biomedical big data in exchange for time-intensive simulations. This paper reviews current trends in the use of machine learning for drug binding predictions, data sources to develop machine learning algorithms, and potential problems that may lead to overfitting and ungeneralizable models. A few popular datasets that can be used to develop virtual high-throughput screening models are characterized using spatial statistics to quantify potential biases. We can see from evaluating some common benchmarks that good performance correlates with models with high-predicted bias scores and models with low bias scores do not have much predictive power. A better understanding of the limits of available data sources and how to fix them will lead to more generalizable models that will lead to novel drug discovery.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Relationship Between Tropical Cloud Feedback and Climatological Bias in Clouds

Abstract Global climate model (GCM) projections of future climate are uncertain largely due to a persistent spread in cloud feedback. This is despite efforts to reduce this model uncertainty through a variety of emergent constraints (ECs); with several studies suggesting an important role for present‐day biases in clouds. Here, we use three generations of GCMs to assess the value of climatological cloud metrics for constraining uncertainty in cloud feedback. We find that shortwave cloud radiative properties across the Southern Hemisphere extratropics are most robustly correlated with tropical cloud feedback (TCF). Using this relationship in conjunction with observations, we produce an EC that yields a TCF value of 0.52 ± 0.34 W/m 2 /K, which equates to a 34% reduction in uncertainty. Thus, we show that climatological cloud properties can be used to reduce uncertainty in how clouds will respond to future warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Delensing the CMB with the cosmic infrared background: the impact of foregrounds

ABSTRACT The most promising avenue for detecting primordial gravitational waves from cosmic inflation is through measurements of degree-scale cosmic microwave background (CMB) B-mode polarization. This approach must face the challenge posed by gravitational lensing of the CMB, which obscures the signal of interest. Fortunately, the lensing effects can be partially removed by combining high-resolution E-mode measurements with an estimate of the projected matter distribution. For near-future experiments, the best estimate of the latter will arise from co-adding internal reconstructions (derived from the CMB itself) with external tracers such as the cosmic infrared background (CIB). In this work, we characterize how foregrounds impact the delensing procedure when CIB intensity, I, is used as the matter tracer. We find that higher point functions of the CIB and Galactic dust such as 〈BEI〉c and 〈EIEI〉c can, in principle, bias the power spectrum of delensed B-modes. To quantify these, we first estimate the dust residuals in currently available CIB maps and upcoming, foreground-cleaned Simons Observatory CMB data. Then, using non-Gaussian simulations of Galactic dust – extrapolated to the relevant frequencies, assuming the spectral index of polarized dust emission to be fixed at the value determined by Planck – we show that the bias to any primordial signal is small compared to statistical errors for ground-based experiments, but might be significant for space-based experiments probing very large angular scales. However, mitigation techniques based on multifrequency cleaning appear to be very effective. We also show, by means of an analytical model, that the bias arising from the higher point functions of the CIB itself ought to be negligible.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

ENSO Diversity and the Simulation of Its Teleconnections to Winter Precipitation Extremes Over the US in High Resolution Earth System Models

Abstract Accounting for the diversity in El Niño Southern Oscillation (ENSO)'s spatial pattern, with the novel ENSO longitudinal index (ELI), we evaluate the simulation of its teleconnections to US winter precipitation extremes by seven global high‐resolution (HR) Earth System Models (ESM). Six (four) HR ESMs simulate the observed increase in precipitation extremes over Southwest US (Southeast US) during ELI‐defined El Niño events better than their low‐resolution counterparts, which are low‐biased. The stronger ENSO‐dependence over the Southwest US and Southeast US in those models is associated with an improved simulation of moisture flux into the regions and/or storm track activity there. HR ESMs, however, generally overestimate the increase in precipitation extremes over the Pacific‐Northwest during La Niña events. Model bias there is associated with bias in moisture transport into the region during La Niña events, which is amplified by the enhanced vertical mass fluxes in HR.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

TDCOSMO VIII. A key test of systematics in the hierarchical method of time-delay cosmography

The largest source of systematic errors in the time-delay cosmography method likely arises from the lens model mass distribution, where an inaccurate choice of model could in principle bias the value of $H$ 0 . A Bayesian hierarchical framework has been proposed which combines lens systems with kinematic data, constraining the mass profile shape at a population level. The framework has been previously validated using a small sample of lensing galaxies drawn from hydro-simulations. The goal of this work is to expand the validation to a more general set of lenses consistent with observed systems, as well as confirm the capacity of the method to combine two lens populations: one which has time delay information and one which lacks time delays and has systematically different image radii. For this purpose, we generated samples of analytic lens mass distributions made of baryons+dark matter and fit the subsequent mock images with standard power-law models. Corresponding kinematics data were also emulated. The hierarchical framework applied to an ensemble of time-delay lenses allowed us to correct the $H$ 0 bias associated with model choice to find $H$ 0 within 1.5σ of the fiducial value. We then combined this set with a sample of corresponding lens systems which have no time delays and have a source at lower $z$, resulting in a systematically smaller image radius relative to their effective radius. The hierarchical framework has successfully accounted for this effect, recovering a value of $H$ 0 which is both more precise (σ ~ 2%) and more accurate (0.7% median offset) than the time-delay set alone. This result confirms that non-time-delay lenses can nonetheless contribute valuable constraining power to the determination of $H$ 0 via their kinematic constraints, assuming they come from the same global population as the time-delay set.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Coupling Mesoscale Budget Components to Large-Eddy Simulations for Wind-Energy Applications

To simulate the airflow through a wind farm across a wide range of atmospheric conditions, microscale models (e.g., large-eddy simulation, LES, models) have to be coupled with mesoscale models, because microscale models lack the atmospheric physical processes to represent time-varying local forcing. Here we couple mesoscale model outputs to a LES solver by applying mesoscale momentum- and temperature-budget components from the Weather Research and Forecasting model to the governing equations of the Simulator fOr Wind Farm Applications model. We test whether averaging the budget components affects the LES results with regard to quantities of interest to wind energy. Our study focuses on flat terrain during a quiescent diurnal cycle. The simulation results are compared with observations from a 200-m tall meteorological tower and a wind-profiling radar, by analyzing time series, profiles, rotor-averaged quantities, and spectra. However, while results show that averaging reduces the spatio-temporal variability of the mesoscale momentum-budget components, when coupled with the LES model, the mesoscale bias (in comparison with observations of wind speed and direction, and potential temperature) is not reduced. In contrast, the LES technique can correct for shear and veer. In both cases, however, averaging the budget components shows no significant impact on the mean flow quantities in the microscale and is not necessary when coupling mesocale budget components to the LES model.

17 WIND ENERGY↗
DOE OSTI2022

Representing Global Soil Erosion and Sediment Flux in Earth System Models

Abstract Soil erosion produces enormous amounts of sediment, carbon, and nutrient fluxes from land to rivers, thus playing crucial roles in global biogeochemical cycles and food security. To predict soil erosion in the context of climate and land use changes, we explicitly parameterize cropland management actions (i.e., irrigation, conserved agriculture, and crop residue management) and geological factors (i.e., lithology and glacier) in the Energy Exascale Earth System Model (E3SM) soil erosion module. The erosion model is calibrated using a global‐scale regionalized parameter calibration method. The spatial variabilities of the modeled and the Revised Universal Soil Loss Equation (RUSLE) based benchmark soil erosion are consistent across vegetation, climate and soil properties. Compared with independent data, our model shows a bias reduction in 59% of the observations relative to the RUSLE‐based soil erosion, with 53% of the bias reduction exceeding 50%. This improvement is mainly due to a better representation of the topographic effect on soil erosion. Our results indicate that conserved agriculture practices have effectively reduced soil erosion in cropland by over 25% in the United States and Argentina. In contrast, irrigation has increased soil erosion in many Asian countries. For upland sediment flux, our model is consistent with the WBMsed benchmark data in inter‐basin variability but could be more skillful in simulating intra‐basin variability because it couples soil erosion and sediment flux explicitly. The developed model provides useful skills for more realistic predictions of soil erosion and river sediment dynamics under environmental changes.

58 GEOSCIENCES↗
DOE OSTI2024

Aboveground woody biomass estimation of young bioenergy plantations of Populus and its hybrids using mobile (backpack) LiDAR remote sensing

Woody aboveground biomass (AGB) including short-rotation Populus is used as a feedstock for renewable and carbon-neutral bioenergy. While woody AGB can be estimated with allometric equations requiring labor-intensive field data, remote sensing technologies like mobile terrestrial light detection and ranging (LiDAR) can estimate woody AGB quickly and accurately. Therefore, the goals of this study were to develop a model to predict woody AGB of 2-year-old Populus spp. from three taxa (P. deltoides, P. deltoides × P. maximowiczii and P. deltoides × P. trichocarpa) using allometric (height and diameter at breast height (DBH)) or LiDAR-derived metrics from a mobile terrestrial (backpack) system. Likewise, we sought to compare LiDAR-estimated tree height and DBH with field-measured values. We found that a taxa-specific model containing LiDAR-measured tree height, crown volume, and taxa interactions with the height of the 10 th percentile, and the density of the lowest interval (density metric 0) explained 84 % of the variation in woody AGB with a root mean square error (RMSE) of 28.7 % and performed slightly better than the allometric model. The best model excluding taxa had a slightly higher RMSE but lower bias than the allometric model. LiDAR-derived tree heights were highly correlated with field-measured heights, but DBH could not be estimated accurately. Therefore, terrestrial mobile LiDAR systems can accurately estimate woody AGB and tree height of Populus in short rotation systems to aid in the fast and efficient quantification of woody bioenergy production and renewable energy resources.

AGB↗
DOE OSTI2022

Parallel simulated annealing with embedded machine learning and multifidelity models for reactor core design

This paper presents extensions to a penalty-free, parallel simulated annealing (SA) algorithm for multi-constrained combinatorial optimization with the aim of embedding multi-fidelity physics models into the annealing procedure. The method uses a low-fidelity, quickly executing model for rapid design space exploration and a high-fidelity model for detailed constraint resolution and on-the-fly bias correction. Machine learning models updated within the annealing procedure were used to bridge the gap between the multi-fidelity models, which led to accurate rapid exploration and efficient detailed constraint resolution. A software implementation of the new multi-fidelity optimization methods, called ML-PSA, was demonstrated on a continuous multi-fidelity optimization problem and a constrained combinatorial PWR lattice design problem. These problems demonstrate some of the features, parallel performance characteristics, and extensible nature of the multi-fidelity SA methods. This paper shows that the developed software and procedure are a general optimization tool that can be applied to a wide variety of scientific and engineering design optimization applications. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Regional climate change: consensus, discrepancies, and ways forward

Climate change has emerged across many regions. Some observed regional climate changes, such as amplified Arctic warming and land-sea warming contrasts have been predicted by climate models. However, many other observed regional changes, such as changes in tropical sea surface temperature and monsoon rainfall are not well simulated by climate model ensembles even when taking into account natural internal variability and structural uncertainties in the response of models to anthropogenic radiative forcing. This suggests climate model predictions may not fully reflect what our future will look like. The discrepancies between models and observations are not well understood due to several real and apparent puzzles and limitations such as the “signal-to-noise paradox” and real-world record-shattering extremes falling outside of the possible range predicted by models. Addressing these discrepancies, puzzles and limitations is essential, because understanding and reliably predicting regional climate change is necessary in order to communicate effectively about the underlying drivers of change, provide reliable information to stakeholders, enable societies to adapt, and increase resilience and reduce vulnerability. The challenges of achieving this are greater in the Global South, especially because of the lack of observational data over long time periods and a lack of scientific focus on Global South climate change. To address discrepancies between observations and models, it is important to prioritize resources for understanding regional climate predictions and analyzing where and why models and observations disagree via testing hypotheses of drivers of biases using observations and models. Gaps in understanding can be discovered and filled by exploiting new tools, such as artificial intelligence/machine learning, high-resolution models, new modeling experiments in the model hierarchy, better quantification of forcing, and new observations. Conscious efforts are needed toward creating opportunities that allow regional experts, particularly those from the Global South, to take the lead in regional climate research. This includes co-learning in technical aspects of analyzing simulations and in the physics and dynamics of regional climate change. Finally, improved methods of regional climate communication are needed, which account for the underlying uncertainties, in order to provide reliable and actionable information to stakeholders and the media.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A differentiable, physics-informed ecosystem modeling and learning framework for large-scale inverse problems: demonstration with photosynthesis simulations

Photosynthesis plays an important role in carbon, nitrogen, and water cycles. Ecosystem models for photosynthesis are characterized by many parameters that are obtained from limited in situ measurements and applied to the same plant types. Previous site-by-site calibration approaches could not leverage big data and faced issues like overfitting or parameter non-uniqueness. Here we developed an end-to-end programmatically differentiable (meaning gradients of outputs to variables used in the model can be obtained efficiently and accurately) version of the photosynthesis process representation within the Functionally Assembled Terrestrial Ecosystem Simulator (FATES) model. As a genre of physics-informed machine learning (ML), differentiable models couple physics-based formulations to neural networks (NNs) that learn parameterizations (and potentially processes) from observations, here photosynthesis rates. We first demonstrated that the framework was able to correctly recover multiple assumed parameter values concurrently using synthetic training data. Then, using a real-world dataset consisting of many different plant functional types (PFTs), we learned parameters that performed substantially better and greatly reduced biases compared to literature values. Further, the framework allowed us to gain insights at a large scale. Our results showed that the carboxylation rate at 25 °C (V c,max25 ) was more impactful than a factor representing water limitation, although tuning both was helpful in addressing biases with the default values. This framework could potentially enable substantial improvement in our capability to learn parameters and reduce biases for ecosystem modeling at large scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Final report: Insights from ARM observations into aerosol processing and transport by extratropical cyclones and aerosol effects on cyclone clouds

This project advanced understanding of aerosol–cloud interactions in extratropical cyclones using observations from the Atmospheric Radiation Measurement (ARM) Eastern North Atlantic (ENA) observatory and ACE-ENA field campaigns, along with satellite datasets and numerical modeling. We have quantified the susceptibility of frontal clouds to aerosols, showing that this susceptibility is similar to that in non-frontal clouds despite substantial (factor 2) differences in droplet concentrations between these cloud types, and also significant differences in cloud albedo. A key finding was that Aitken-mode (here, 60-100nm diameter) aerosols play a disproportionately important role in droplet activation in frontal clouds, and concentrations of these particles are frequently strongly biased in climate models. Activation of aerosols depends strongly on updraft speeds, and via collaboration with Argonne National Laboratory we contributed to quantifying these better with the ARM radar wind profiler at the ENA site. Our studies in the North Atlantic have analogs in the Southern Ocean, and to draw these out we examined data from the MARCUS and SOCRATES field campaigns. We identified new particle formation within extratropical cyclones as a potentially important source of cloud condensation nuclei in these pristine marine environments. By combining ARM observations with perturbed parameter ensemble simulations, we demonstrated that surface observations can effectively constrain aerosol–cloud adjustments and reduce uncertainty in simulated cloud liquid water path responses by approximately 15%, yielding stronger constraints on historical aerosol cooling effects. The work further established precipitation processes as a dominant control on aerosol–cloud interactions and Earth system predictability.

Gordon, Hamish [Department of Chemical Engineering↗