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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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Expanding the Spatiotemporal Range of Soil Moisture Analysis Utilizing NASA Earth Observations and In Situ Measurements

Drought can cause immense agricultural and ecological damage resulting in high mitigation and compensation costs. Climate variability in future decades is expected to cause severe drought conditions and threaten necessary water resources. Stakeholders seek to implement effective drought assessments in preparation for potential economic and environmental damage invoked by drought. Although in-situ measurements are accurate, the current infrastructure is spatially limited and costly to maintain. A framework was created to compare modeled, satellite and in-situ data in drought monitoring. Here we show that the comparison of in-situ and remotely sensed soil moisture (SM) measurements can increase the spatiotemporal range of SM assessments. Data collected between 2003 and 2021 by NASA’s SPoRT Land Information System (SPoRT-LIS) and Soil Moisture Active Passive (SMAP) mission were standardized and compared with in-situ data provided through the Illinois Climate Network (WARM). Statistical analysis results including the Pearson correlation coefficient (r), root mean squared error, mean absolute error and others were calculated to compare the WARM measurements to the SMAP and SPoRT-LIS products. Results indicate that both satellite products demonstrate seasonally variable bias that is not present in the in-situ measurements. Bias was highest in the winter months and lowest in the late summer and early fall months in both satellite datasets. Overall, WARM-SPoRT comparisons resulted in lower seasonal variability. However, on average, the SMAP comparison demonstrated higher correlation values and lower error values. The WARM-SMAP average correlation (r) was 0.61 compared to the WARM-SPoRT average correlation (r) value of 0.54. Average mean absolute error values calculated for the SMAP and SPoRT comparisons were 0.07 and 0.08 percent soil moisture by volume, respectively. These analyses suggest integrating in-situ measurements and those provided by NASA Earth observations can be utilized in a multi-faceted SM evaluation, a valuable contribution to drought monitoring and water resource decision making.

Emma P Myrick↗
NASA NTRS2019

Evaluation Analysis of NASA SMAP L3 and L4 and SPoRT-LIS Soil Moisture Data in the United States

Soil moisture has a critical role in the development, frequency and persistence of climatic and hydrologic extremes such as drought, heat wave and flooding events. In situ soil moisture data are uneven and sparse in time and space. This highlights the need to utilize other soil moisture sources to fill this spatiotemporal gap. The goal of this study is to validate one satellite-based and two model-based soil moisture datasets with in situ data across the United States. Soil moisture information from the Soil Moisture Active Passive (SMAP) enhanced level 3 (L3) (SMAP L3) and modeled level 4 (L4) (SMAP L4) data at 9-km resolution and Short-term Prediction Research and Transition-Land Information System (SPoRT-LIS) modeled at 3-km resolution were selected for evaluation. SPoRT-LIS is a near real-time, high resolution operational land analysis data. Ground-based data were obtained from the North American Soil Moisture Database (NASMD) for 362 stations. Seven statistical indicators including anomaly, Spearman, and Pearson correlation coefficients, the systematic error (Bias), root mean square error (RMSE), unbiased root mean square error (ubRMSE), and normalized standard deviation (SDV) were used to evaluate the satellite- and model-derived soil moisture data. In addition, the triple collocation (TC) error model was used to measure the error among SMAP L4, SPoRT-LIS and ground-based data. This study assesses which satellite or modeled dataset is most appropriate for specific times and locations to use as a surrogate for in situ observations. Temporal and spatial analysis demonstrated that, overall, SMAP L4 performed better than SMAP L3 and SPoRT-LIS. Strong agreement was observed between SMAP L4 and in situ observations (ρ = 0.53, Bias = −0.006) in all seasons and most regions with various land covers, especially in winter and in the central regions of the United States. For croplands, SMAP L4 presented the best agreement with in situ data, analyzing all period (ρ = 0.60) and non-winter period (ρ = 0.61) separately.

Tavakol, Ameneh↗
NASA NTRS2009

Identifying Optimal Temporal Scale for the Correlation of AOD and Ground Measurements of PM2.5 to Improve the Model Performance in a Real-time Air Quality Estimation System

Aerosol optical depth (AOD), an indirect estimate of particle matter using satellite observations, has shown great promise in improving estimates of PM 2.5 air quality surface. Currently, few studies have been conducted to explore the optimal way to apply AOD data to improve the model accuracy of PM 2.5 surface estimation in a real-time air quality system. We believe that two major aspects may be worthy of consideration in that area: 1) the approach to integrate satellite measurements with ground measurements in the pollution estimation, and 2) identification of an optimal temporal scale to calculate the correlation of AOD and ground measurements. This paper is focused on the second aspect on the identifying the optimal temporal scale to correlate AOD with PM2.5. Five following different temporal scales were chosen to evaluate their impact on the model performance: 1) within the last 3 days, 2) within the last 10 days, 3) within the last 30 days, 4) within the last 90 days, and 5) the time period with the highest correlation in a year. The model performance is evaluated for its accuracy, bias, and errors based on the following selected statistics: the Mean Bias, the Normalized Mean Bias, the Root Mean Square Error, Normalized Mean Error, and the Index of Agreement. This research shows that the model with the temporal scale of within the last 30 days displays the best model performance in this study area using 2004 and 2005 data sets.

Li, Hui↗
DOE OSTI2025

Computer-aided design of stability enhanced nicotinamide cofactor biomimetics for cell-free biocatalysis

Cell-free biocatalysis (CFB) is an efficient and environmentally friendly method to synthesize molecules such as pharmaceuticals, biochemicals, and biofuels through the in vitro use of enzyme cascades. These enzymes often require redox cofactors to drive chemical reactions. Natural redox cofactors (NAD(P)H) are expensive to isolate, motivating synthetic nicotinamide cofactor biomimetics (NCBs) as a cost-effective solution. A select handful of NCBs have been identified as potential NAD(P)H alternatives with comparable or improved redox capabilities, however, they display a tendency to degrade in common buffers. In this study, a library of 132 NCB candidates is systematically generated, over 85% of which have not been characterized in the literature, to expand the diversity of currently explored NCBs. The decomposition mechanism of NCBs in phosphate is evaluated using density functional theory (DFT), revealing protonation at the nicotinamide C5 position as a reporter of cofactor stability. Based on this result, we trained a linear regression model on DFT calculated descriptors to predict NCB stability in phosphate buffer, achieving mean absolute error (MAE) and root mean squared error (RMSE) values within computational accuracy. Analysis of key atomic descriptors and qualitative trends in our dataset informed the design of novel NCB candidates we propose with optimized stability. This work enables researchers to predict the relative stability of NCBs before synthesis, thereby streamlining the process to make CFB more affordable and viable at industry scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

Estimating Model Prediction Error: Should You Treat Predictions as Fixed or Random?

Crop models are important tools for impact assessment of climate change, as well as for exploring management options under current climate. It is essential to evaluate the uncertainty associated with predictions of these models. We compare two criteria of prediction error; MSEP fixed, which evaluates mean squared error of prediction for a model with fixed structure, parameters and inputs, and MSEP uncertain( X), which evaluates mean squared error averaged over the distributions of model structure, inputs and parameters. Comparison of model outputs with data can be used to estimate the former. The latter has a squared bias term, which can be estimated using hindcasts, and a model variance term, which can be estimated from a simulation experiment. The separate contributions to MSEP uncertain (X) can be estimated using a random effects ANOVA. It is argued that MSEP uncertain (X) is the more informative uncertainty criterion, because it is specific to each prediction situation.

model structure uncertainty↗
NASA NTRS1994

Use of multiple gauges and microwave attenuation of precipitation for satellite verification

In this paper both a microwave attenuation measurement along a horizontal line and multiple point gauge measurements are analyzed as possible ground-truth designs to validate satellite precipitation retrieval algorithms at the field of view spatial level (typically about 20 km). The design consists of comparing a sequence of pairs of contemporaneous measurements taken from the ground and from space. The authors examine theoretically the variance of expected differences between the two systems. The line average measurement leads to a smaller mean-square error compared to the case of a single point gauge, since some of the small-scale variability of the rain field is smoothed away by the line integration. The multiple point gauge measurements also give smaller mean-square error than that of a single point gauge. The centroid of the line and point gauge configurations are considered to be located randomly inside the field of view for different overpasses. A space-time spectral formalism is used with a noise-forced diffusive rain field to find the mean-square error. By considering instantaneous ground and satellite measurement pairs over about 50 visits when raining, we can reduce the expected error to approximately 10% of the standard deviation of climatological variability. This is considered to be a useful level of tolerance for identifying biases in the retrieval algorithms. It is found that the multiple point gauges (especially two gauges) are the economical ground-truth design compared to the microwave attenuation based on the mean-square error comparison. The major finding of this study is that a significant improvement over the point gauge is obtained by adding a single additional piece of information; adding more gauges or extending the line of attenuation is not an important improvement.

Ha, Eunho↗
DOE OSTI2025

Machine Learning-Based Process Control for Injection Molding of Recycled Polypropylene

The increased interest in artificial intelligence in manufacturing has driven the adoption of machine learning to optimize processes and improve efficiency. A key challenge in injection molding is the variability of recycled materials, which affects part quality and processing stability. This study presents a novel closed-loop process control approach for injection molding, leveraging machine learning to adaptively predict processing inputs and quality outcomes. The methodology was tested on five blends of recycled polypropylene (rPP), using artificial neural networks (ANNs), linear regression, and polynomial regression to model the relationships between material properties and process parameters. The dataset was split 80/20 into training and testing sets. The ANN model was implemented using TensorFlow and Keras, with six hidden layers of 32 neurons per layer, ReLU activation, and an Adam optimizer. Empirical tuning and early stopping were used to optimize performance and prevent overfitting. Predictions were evaluated based on mean absolute error (MAE), mean squared error (MSE), and percentage error. The results showed that yield stress, ultimate elongation, and part weight were accurately predicted within a 5% error for linear and polynomial regression models and within a 10% error for the ANN. However, modulus predictions were less reliable, with errors of ~11% for ANN and linear regression and ~40% for polynomial regression, reflecting the inherent variability of this property in rPP blends. Predictions of processing inputs had errors ranging from 3% to 25%, depending on the model and response variable. No single modeling approach was consistently superior across all responses, highlighting the complexity of the relationship between material properties, process parameters, and quality metrics. Overall, the work demonstrates that closed-loop process control, powered by machine learning, can effectively predict key quality parameters in injection molding of recycled materials. The proposed approach can improve process stability and material utilization, facilitating increased adoption of sustainable materials.

Krantz, Joshua↗
NASA NTRS2019

Large Contribution of Meteorological Factors to Inter-Decadal Changes in Regional Aerosol Optical Depth

Aerosol optical depth (AOD) has become a crucial metric for assessing global climate change. Although global and regional AOD trends have been studied extensively, it remains unclear what factors are driving the inter-decadal variations in regional AOD and how to quantify the relative contribution of each dominant factor. This study used a long-term (1980–2016) aerosol dataset from the Modern-Era Retrospective Analysis for Research and Applications, version 2 (MERRA-2) reanalysis, along with two satellite-based AOD datasets (MODIS/Terra and MISR) from 2001 to 2016, to investigate the long-term trends in global and regional aerosol loading. Statistical models based on emission factors and meteorological parameters were developed to identify the main factors driving the inter-decadal changes of regional AOD and to quantify their contribution. Evaluation of the MERRA-2 AOD with the ground-based measurements of AERONET indicated significant spatial agreement on the global scale (r= 0.85, root-mean-square error = 0.12, mean fractional error = 38.7 %, fractional gross error = 9.86 % and index of agreement = 0.94). However, when AOD observations from the China Aerosol Remote Sensing Network (CARSNET) were employed for independent verification, the results showed that MERRA-2 AODs generally underestimated CARSNET AODs in China (relative mean bias = 0.72 and fractional gross error =−34.3 %). In general, MERRA-2 was able to quantitatively reproduce the annual and seasonal AOD trends on both regional and global scales, as observed by MODIS/Terra, although some differences were found when compared to MISR. Over the 37-year period in this study, significant decreasing trends were observed over Europe and the eastern United States. In contrast, eastern China and southern Asia showed AOD increases, but the increasing trend of the former reversed sharply in the most recent decade. The statistical analyses suggested that the meteorological parameters explained a larger proportion of the AOD variability (20.4 %–72.8 %) over almost all regions of interest (ROIs) during 1980–2014 when compared with emission factors (0 %–56 %). Further analysis also showed that SO2 was the dominant emission factor, explaining 12.7 %–32.6 % of the variation in AOD over anthropogenic-aerosol-dominant regions, while black carbon or organic carbon was the leading factor over the biomass-burning-dominant (BBD) regions, contributing 24.0 %–27.7 % of the variation. Additionally, wind speed was found to be the leading meteorological parameter, explaining 11.8 %–30.3 % of the variance over the mineral-dust-dominant regions, while ambient humidity (including soil moisture and relative humidity) was the top meteorological parameter over the BBD regions, accounting for 11.7 %–35.5 % of the variation. The results of this study indicate that the variation in meteorological parameters is a key factor in determining the inter-decadal change in regional AOD.

Huizheng Che↗
NASA NTRS2022

Evaluation of High Mountain Asia-Land Data Assimilation System (version 1) from 2003 to 2016: 2. The impact of assimilating satellite-based snow cover and freeze/thaw observations into a land surface model

This second paper of the two-part series focuses on demonstrating the impact of assimilating satellite-based snow cover and freeze/thaw observations into the hyper-resolution, offline terrestrial modeling system used for the High Mountain Asia (HMA) region from 2003 to 2016. To this end, this study systematically evaluates a total of six sets of 0.01° (∼1 km) model simulations forced by different precipitation forcings, with and without the dual assimilation scheme enabled, at point-scale, basin-scale, and domain-scale. The key variables of interest include surface net shortwave radiation, surface net longwave radiation, skin temperature, near-surface soil temperature, snow depth, snow water equivalent (SWE), and total runoff. First, the point-scale assessment is mainly conducted via evaluating against ground-based measurements. In general, the assimilation enabled estimates are better than no-assimilation counterparts. Second, the basin-scale runoff assessment demonstrates that across three snow-dominated basins, the assimilation enabled experiment yields systematic improvements in all goodness-of-fit statistics through mitigating the negative effects brought by the fixed long-term precipitation correction factors. For example, when forced by the bias-corrected precipitation, the assimilation-enabled experiment improves the bias by 69%, the root-mean-squared error by 30%, and the unbiased root-mean-squared error by 18% (relative to the no-assimilation counterpart). Finally, the domainscale assessment is conducted via evaluating against satellite-based SWE and skin temperature products. Both sets of domain-scale analysis further corroborate the findings in the point-scale evaluations. Overall, this study suggests the benefits of the proposed multi-variate assimilation system in improving the cryospherichydrological process within a land surface model for use in HMA.

Yuan Xue↗
NASA NTRS2022

Evaluation of High Mountain Asia-Land Data Assimilation System (version 1) from 2003 to 2016: 2. The impact of assimilating satellite-based snow cover and freeze/thaw observations into a land surface model

This second paper of the two-part series focuses on demonstrating the impact of assimilating satellite-based snow cover and freeze/thaw observations into the hyper-resolution, offline terrestrial modeling system used for the High Mountain Asia (HMA) region from 2003 to 2016. To this end, this study systematically evaluates a total of six sets of 0.01° (∼1 km) model simulations forced by different precipitation forcings, with and without the dual assimilation scheme enabled, at point-scale, basin-scale, and domain-scale. The key variables of interest include surface net shortwave radiation, surface net longwave radiation, skin temperature, near-surface soil temperature, snow depth, snow water equivalent (SWE), and total runoff. First, the point-scale assessment is mainly conducted via evaluating against ground-based measurements. In general, the assimilation enabled estimates are better than no-assimilation counterparts. Second, the basin-scale runoff assessment demonstrates that across three snow-dominated basins, the assimilation enabled experiment yields systematic improvements in all goodness-of-fit statistics through mitigating the negative effects brought by the fixed long-term precipitation correction factors. For example, when forced by the bias-corrected precipitation, the assimilation-enabled experiment improves the bias by 69%, the root-mean-squared error by 30%, and the unbiased root-mean-squared error by 18% (relative to the no-assimilation counterpart). Finally, the domain-scale assessment is conducted via evaluating against satellite-based SWE and skin temperature products. Both sets of domain-scale analysis further corroborate the findings in the point-scale evaluations. Overall, this study suggests the benefits of the proposed multi-variate assimilation system in improving the cryospheric-hydrological process within a land surface model for use in HMA.

Yuan Xue↗
NASA NTRS2018

Performance Metrics for the Assessment of Satellite Data Products: An Ocean Color Case Study

Performance assessment of ocean color satellite data has generally relied on statistical metrics chosen for their common usage and the rationale for selecting certain metrics is infrequently explained. Commonly reported statistics based on mean squared errors, such as the coefficient of determination (r2), root mean square error, and regression slopes, are most appropriate for Gaussian distributions without outliers and, therefore, are often not ideal for ocean color algorithm performance assessment, which is often limited by sample availability. In contrast, metrics based on simple deviations, such as bias and mean absolute error, as well as pair-wise comparisons, often provide more robust and straightforward quantities for evaluating ocean color algorithms with non-Gaussian distributions and outliers. This study uses a SeaWiFS chlorophyll-a validation data set to demonstrate a framework for satellite data product assessment and recommends a multimetric and user-dependent approach that can be applied within science, modeling, and resource management communities.

remote sensing↗
NASA NTRS1982

A study of image quality for radar image processing

Methods developed for image quality metrics are reviewed with focus on basic interpretation or recognition elements including: tone or color; shape; pattern; size; shadow; texture; site; association or context; and resolution. Seven metrics are believed to show promise as a way of characterizing the quality of an image: (1) the dynamic range of intensities in the displayed image; (2) the system signal-to-noise ratio; (3) the system spatial bandwidth or bandpass; (4) the system resolution or acutance; (5) the normalized-mean-square-error as a measure of geometric fidelity; (6) the perceptual mean square error; and (7) the radar threshold quality factor. Selective levels of degradation are being applied to simulated synthetic radar images to test the validity of these metrics.

King, R. W.↗
DOE OSTI2026

Mechanistic Modeling of TEG Dehydrator Emissions in Oil and Gas Industry

This work presents a mechanistic modeling approach for simulating methane emissions from triethylene glycol (TEG) dehydrators used in oil & gas (O&G) operations. The model was developed as a modular component of the Mechanistic Air Emissions Simulator (MAES) tool, incorporating species-specific absorption and emission dynamics through two-level, second-order polynomial regression (PR) models trained on ProMax simulation data: (1) species-level regression models that track the transfer rates of individual gas species within the dehydrator unit streams, and (2) outlet flow stream regression models that predict the fraction of inlet gas distributed among the outlet streams of the dehydrator unit. These behaviors were characterized over a range of glycol circulation ratios, wet gas pressures, and temperatures. The model was validated using root mean square error (RMSE) analysis. The species-level PR achieved low root mean square error (RMSE) values (<0.03) for light hydrocarbon species across all dehydrator components, ranging from 0.0009 for methane to 0.029 for normal pentane. Similarly, the outlet-level PR yielded RMSE values below 0.002 for the dry gas fraction, 0.001 for the flash tank fraction, and 0.002 for the still vent fraction, demonstrating strong agreement between predicted and reference ProMax values. When deployed at field facilities, the model significantly improved MAES-simulated dehydrator emissions, revealing that gas-assisted glycol pump emissions are the dominant contributors to both dehydrator-level and site-level methane emissions under uncontrolled conditions. Further analysis of the 154 dehydrator units reported by operators under the AMI 2024 project showed that 54 units (31%) used gas-driven glycol pumps, of which 6 units (11%) operated with uncontrolled flash tanks, and 22 units (40.7%) were identified as potentially oversized. Of the six dehydrator units with uncontrolled gas-assisted pumps, pump emissions accounted for 90.25% of total dehydrator emissions and 63.10% of total site-level emissions. These findings highlight substantial opportunities for emissions mitigation through equipment upgrades.

MAES↗
NASA NTRS2020

Evaluation of GEOS-Simulated L-Band Microwave Brightness Temperature using Aquarius Observations over Non-Frozen Land across North America

L-band brightness temperature (T(sub b)) is one of the key remotely-sensed variables that provides information regarding surface soil moisture conditions. In order to harness the information in T(sub b) observations, a radiative transfer model (RTM) is investigated for eventual inclusion into a data assimilation framework. In this study, T(sub b) estimates from the RTM implemented in the NASA Goddard Earth Observing System (GEOS) were evaluated against the nearly four-year record of daily T(sub b) observations collected by L-band radiometers onboard the Aquarius satellite. Statistics between the modeled and observed T(sub b) were computed over North America as a function of soil hydraulic properties and vegetation types. Overall, statistics showed good agreement between the modeled and observed T(sub b) with a relatively low, domain-average bias (0.79 K (ascending) and -2.79 K (descending)), root mean squared error (11.0 K (ascending) and 11.7 K (descending)), and unbiased root mean squared error (8.14 K (ascending) and 8.28 K (descending)). In terms of soil hydraulic parameters, large porosity and large wilting point both lead to high uncertainty in modeled T(sub b) due to the large variability in dielectric constant and surface roughness used by the RTM. The performance of the RTM as a function of vegetation type suggests better agreement in regions with broadleaf deciduous and needleleaf forests while grassland regions exhibited the worst accuracy amongst the five different vegetation types.

L-band radiometry↗
NASA NTRS1987

Quantitative analysis of the reconstruction performance of interpolants

The analysis presented provides a quantitative measure of the reconstruction or interpolation performance of linear, shift-invariant interpolants. The performance criterion is the mean square error of the difference between the sampled and reconstructed functions. The analysis is applicable to reconstruction algorithms used in image processing and to many types of splines used in numerical analysis and computer graphics. When formulated in the frequency domain, the mean square error clearly separates the contribution of the interpolation method from the contribution of the sampled data. The equations provide a rational basis for selecting an optimal interpolant; that is, one which minimizes the mean square error. The analysis has been applied to a selection of frequently used data splines and reconstruction algorithms: parametric cubic and quintic Hermite splines, exponential and nu splines (including the special case of the cubic spline), parametric cubic convolution, Keys' fourth-order cubic, and a cubic with a discontinuous first derivative. The emphasis in this paper is on the image-dependent case in which no a priori knowledge of the frequency spectrum of the sampled function is assumed.

Lansing, Donald L.↗
NASA NTRS1994

A passive microwave technique for estimating rainfall and vertical structure information from space. Part 2: Applications to SSM/I data

A multi channel physical approach for retrieving rainfall and its vertical structure from Special Sensor Microwave/Imager (SSM/I) observations is examined. While a companion paper was devoted exclusively to the description of the algorithm, its strengths, and its limitations, the main focus of this paper is to report on the results, applicability, and expected accuraciesfrom this algorithm. Some examples are given that compare retrieved results with ground-based radar data from different geographical regions to illustrate the performance and utility of the algorithm under distinct rainfall conditions. More quantitative validation is accomplished using two months of radar data from Darwin, Australia, and the radar network over Japan. Instantaneous comparisons at Darwin indicate that root-mean-square errors for 1.25 deg areas over water are 0.09 mm/h compared to the mean rainfall value of 0.224 mm/h while the correlation exceeds 0.9. Similar results are obtained over the Japanese validation site with rms errors of 0.615 mm/h compared to the mean of 0.0880 mm/h and a correlation of 0.9. Results are less encouraging over land with root-mean-square errors somewhat larger than the mean rain rates and correlations of only 0.71 and 0.62 for Darwin and Japan, respectively. These validation studies are further used in combination with the theoretical treatment of expected accuracies developed in the companion paper to define error estimates on a broader scale than individual radar sites from which the errors may be analyzed. Comparisons with simpler techniques that are based on either emission or scattering measurements are used to illustrate the fact that the current algorithm, while better correlated with the emission methods over water, cannot be reduced to either of these simpler methods.

Kummerow, Christian↗