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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Genetic algorithm optimization of a chemical kinetic mechanism for propane at engine relevant conditions

Propane has demonstrated significant potential for reductions in greenhouse gas and pollutant emissions in medium- and heavy-duty engine applications, but further improvements require accurate, compact, and scalable chemical kinetic mechanisms to design the next generation of propane fueled engines, particularly at the boosted operating conditions necessary to meet the power density demand of medium- and heavy-duty applications. In this work, six key chemical reactions were identified in a reduced mechanism with 70 species and 352 reactions through a sensitivity analysis performed at conditions typical of thermodynamic trajectories observed in a high compression ratio, long stroke engine operated on propane from throttled to boosted operating conditions. While the original mechanism was validated against rapid compression machine (RCM) data, it was found to overpredict experimental autoignition tendencies in 2-zone, 0-D SI engine simulations performed in Chemkin Pro. Subsequently, a genetic algorithm approach was used to optimize the six reaction rate parameters within established uncertainty bounds by performing RCM simulations and comparing to two independent sets of literature ignition delay times for propane, thus generating two new kinetic mechanisms. The first optimization achieved a mean absolute percent error (MPE) reduction in 2nd stage ignition delay of 61.4% in seven generations, while the second optimization utilized a newer experimental RCM dataset, and achieved MPE reduction of 56.7% in seven generations, and further marginal improvement to 57.8% reduction in 34 generations. Finally, the two mechanisms were then evaluated again in the 2-zone 0-D SI engine model in Chemkin Pro comparing typical mean and knocking cycle trajectories, and it was found that the second optimized mechanism provided better prediction of knock onset at the representative conditions evaluated in this work, particularly for higher load operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Modeling the potential effects of rooftop solar on household energy burden in the United States

Policymakers at the federal and state level have begun to incorporate energy burden into equity goals and program evaluations, aiming to reduce energy burden below a high level of 6% for lower income households in the United States. Pairing an empirical household-level dataset spanning United States geographies together with modeled hourly energy demand curves, we show that rooftop solar reduces energy burden across a majority of adopters during our study period from a median of 3.3% to 2.6%. For low- and moderate-income adopters (at or below 80% and 120% of area median income, respectively), solar reduces median 2021 energy burden from 7.7% to 6.2%, and 4.1% to 3.3%, respectively. Importantly, solar reduces the rate of high or severe energy burden from 67% of all low-income households before adoption to 52% of households following adoption, and correspondingly from 21% to 13% for moderate-income households. Here, we show rooftop solar can support policy goals to reduce energy burden along with strategies such as weatherization and bill assistance.

14 SOLAR ENERGY↗
DOE OSTI2026

Foundation models for atomistic simulation of chemistry and materials

Conventional computational methods for modeling chemical and materials systems are limited by system size and timescale, forcing a trade-off between quantum-mechanical accuracy and the sampling needed for realistic observables. Large language and vision foundation models — pre-trained on massive datasets using transformer architectures — have revolutionized many fields. It is thus interesting to ask whether a foundation model — subject to suitable data, parameter scaling and training — could enable learned simulations of chemistry and materials. Here, in this study, we review the field of machine-learned interatomic potentials (MLIPs) and posit that scaling up large and diverse chemical and materials datasets and highly expressive architectures using advanced training strategies should result in models that are: more efficient, transferable, robust to out-of-distribution scenarios, and easier to fine-tune to a variety of downstream physical observables than models trained from scratch on small datasets corresponding to specific, targeted atomistic simulation tasks. We provide specific criteria for creating such large-scale MLIP foundation models, coordinated strategies for their development, evaluation and deployment, and highlight potential emergent capabilities that could transform predictive simulations in chemistry and materials science and accelerate discovery across multiple technological domains.

Yuan, Eric C.-Y. [University of California, Berkel↗
DOE OSTI2021

PERSIANN-CCS-CDR, a 3-hourly 0.04° global precipitation climate data record for heavy precipitation studies

Accurate long-term global precipitation estimates, especially for heavy precipitation rates, at fine spatial and temporal resolutions is vital for a wide variety of climatological studies. Most of the available operational precipitation estimation datasets provide either high spatial resolution with short-term duration estimates or lower spatial resolution with long-term duration estimates. Furthermore, previous research has stressed that most of the available satellite-based precipitation products show poor performance for capturing extreme events at high temporal resolution. Therefore, there is a need for a precipitation product that reliably detects heavy precipitation rates with fine spatiotemporal resolution and a longer period of record. Precipitation Estimation from Remotely Sensed Information using Artificial Neural Networks-Cloud Classification System-Climate Data Record (PERSIANN-CCS-CDR) is designed to address these limitations. This dataset provides precipitation estimates at 0.04° spatial and 3-hourly temporal resolutions from 1983 to present over the global domain of 60°S to 60°N. Evaluations of PERSIANN-CCS-CDR and PERSIANN-CDR against gauge and radar observations show the better performance of PERSIANN-CCS-CDR in representing the spatiotemporal resolution, magnitude, and spatial distribution patterns of precipitation, especially for extreme events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A unified ensemble soil moisture dataset across the continental United States

Abstract A unified ensemble soil moisture (SM) package has been developed over the Continental United States (CONUS). The data package includes 19 products from land surface models, remote sensing, reanalysis, and machine learning models. All datasets are unified to a 0.25-degree and monthly spatiotemporal resolution, providing a comprehensive view of surface SM dynamics. The statistical analysis of the datasets leverages the Koppen-Geiger Climate Classification to explore surface SM’s spatiotemporal variabilities. The extracted SM characteristics highlight distinct patterns, with the western CONUS showing larger coefficient of variation values and the eastern CONUS exhibiting higher SM values. Remote sensing datasets tend to be drier, while reanalysis products present wetter conditions. In-situ SM observations serve as the basis for wavelet power spectrum analyses to explain discrepancies in temporal scales across datasets facilitating daily SM records. This study provides a comprehensive soil moisture data package and an analysis framework that can be used for Earth system model evaluations and uncertainty quantification, quantifying drought impacts and land–atmosphere interactions and making recommendations for drought response planning.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Developing a SARS-CoV-2 main protease binding prediction random forest model for drug repurposing for COVID-19 treatment

The coronavirus disease 2019 (COVID-19) global pandemic resulted in millions of people becoming infected with the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus and close to seven million deaths worldwide. It is essential to further explore and design effective COVID-19 treatment drugs that target the main protease of SARS-CoV-2, a major target for COVID-19 drugs. In this study, machine learning was applied for predicting the SARS-CoV-2 main protease binding of Food and Drug Administration (FDA)-approved drugs to assist in the identification of potential repurposing candidates for COVID-19 treatment. Ligands bound to the SARS-CoV-2 main protease in the Protein Data Bank and compounds experimentally tested in SARS-CoV-2 main protease binding assays in the literature were curated. These chemicals were divided into training (516 chemicals) and testing (360 chemicals) data sets. To identify SARS-CoV-2 main protease binders as potential candidates for repurposing to treat COVID-19, 1188 FDA-approved drugs from the Liver Toxicity Knowledge Base were obtained. A random forest algorithm was used for constructing predictive models based on molecular descriptors calculated using Mold2 software. Model performance was evaluated using 100 iterations of fivefold cross-validations which resulted in 78.8% balanced accuracy. The random forest model that was constructed from the whole training dataset was used to predict SARS-CoV-2 main protease binding on the testing set and the FDA-approved drugs. Model applicability domain and prediction confidence on drugs predicted as the main protease binders discovered 10 FDA-approved drugs as potential candidates for repurposing to treat COVID-19. Our results demonstrate that machine learning is an efficient method for drug repurposing and, thus, may accelerate drug development targeting SARS-CoV-2.

Research & Experimental Medicine↗
DOE OSTI2023

Acute stress reduces population-level metabolic and proteomic variation

Abstract Background Variation in omics data due to intrinsic biological stochasticity is often viewed as a challenging and undesirable feature of complex systems analyses. In fact, numerous statistical methods are utilized to minimize the variation among biological replicates. Results We demonstrate that the common statistics relative standard deviation (RSD) and coefficient of variation (CV), which are often used for quality control or part of a larger pipeline in omics analyses, can also be used as a metric of a physiological stress response. Using an approach we term Replicate Variation Analysis (RVA), we demonstrate that acute physiological stress leads to feature-wide canalization of CV profiles of metabolomes and proteomes across biological replicates. Canalization is the repression of variation between replicates, which increases phenotypic similarity. Multiple in-house mass spectrometry omics datasets in addition to publicly available data were analyzed to assess changes in CV profiles in plants, animals, and microorganisms. In addition, proteomics data sets were evaluated utilizing RVA to identify functionality of reduced CV proteins. Conclusions RVA provides a foundation for understanding omics level shifts that occur in response to cellular stress. This approach to data analysis helps characterize stress response and recovery, and could be deployed to detect populations under stress, monitor health status, and conduct environmental monitoring.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Carbon Storage Planning Framework Dashboard

The Carbon Storage Planning Framework dashboard (beta version) provides easy access to explore, query, and evaluate multiple data layers to support and accelerate carbon storage resource and feasibility assessments and planning efforts. The interactive dashboard currently contains a range of authoritative datasets associated with geologic, technical, social, and environmental factors. The data sets can be filtered geographically for an area of interest to update statistics and charts within the dashboard. Terms of Use: NETL is sharing this beta/prototype tool with the request that users will provide feedback to NETL about the function and content of the dashboard, alerting NETL to any bugs or providing suggestions for additional resources to help mature the platform.

CCS,EDX4CCS,carbon storage,dashboard↗
DOE OSTI2025

Event Classifications on DNE2 Main Experiment Data using a Convolutional Neural Network Ensemble

The Dynamic Networks (DN) Experiment for FY24 (DNE2) is an experiment within DN with the goal of quantitatively evaluating the effectiveness of solutions developed so far by various researchers under the Low Yield Nuclear Monitoring (LYNM) program using a shared set of metrics and datasets. A key component of this experiment is the mimicking of a signature processing pipeline, and comparing currently accepted and standard-use processing methods to more state-of-the-art processes developed under DN. In this work, we focus specifically on the Event Characterization (EC) Focus Area (FA) of the pipeline, where a seismic event’s magnitude, yield and class are identified. We use Deep Learning (DL) to classify the type of events being processed as either earthquakes (EQs) or explosions (EXs) for three iterations of experiment datasets. The model is noticeably more confident and accurate in classifying explosions than earthquakes, reflecting a known shortcoming of the model, that being of a bias towards predicting explosions over earthquakes in the west coast due to training data biases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

GUC CSU X-Band Precipitation Radar Surface QUantitatIve pRecipitation Estimation (SQUIRE)

For the Surface Atmosphere Integrated Field Laboratory (SAIL) campaign, a scanning X-Band dual-polarimetric radar provided by Colorado State University (CSU) was deployed to estimate precipitation within the Upper Colorado River Basin. In order to evaluate precipitation estimates from the CSU X-Band Radar (XPRECIPRADAR), Surface QUantitatIve pRecipitation Estimation (SQUIRE) was created to provide the SAIL community with a gridded dataset of precipitation estimates for comparison with hydrology and atmospheric models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

LACSD BNR Pilot Plant Metagenomes

In this study, we aimed to evaluate Biological Nutrient Removal (BNR) and investigate microbial community changes when the DO is reduced in the aerated portions of wastewater treatment trains. We present a dataset of metagenomes obtained from activated sludge collected from the Los Angeles Sanitary District BNR pilot plant at the beginning of operation, when the DO was high, and at the end of operation, when the DO was low.

metagenome↗
NASA NTRS2019

Feature Learning for Multispectral Satellite Imagery Classification Using Neural Architecture Search

Automated classification of remote sensing data is an integral tool for earth scientists, and deep learning has proven very successful at solving such problems. However, building deep learning models to process the data requires expert knowledge of machine learning. We introduce DELTA, a software toolkit to bridge this technical gap and make deep learning easily accessible to earth scientists. Visual feature engineering is a critical part of the machine learning lifecycle, and hence is a key area that will be automated by DELTA. Hand-engineered features can perform well, but require a cross functional team with expertise in both machine learning and the specific problem domain, which is costly in both researcher time and labor. The problem is more acute with multispectral satellite imagery, which requires considerable computational resources to process. In order to automate the feature learning process, a neural architecture search samples the space of asymmetric and symmetric autoencoders using evolutionary algorithms. Since denoising autoencoders have been shown to perform well for feature learning, the autoencoders are trained on various levels of noise and the features generated by the best performing autoencoders evaluated according to their performance on image classification tasks. The resulting features are demonstrated to be effective for Landsat-8 flood mapping, as well as benchmark datasets CIFAR10 and SVHN.

Robert Campbell↗
NASA NTRSDate not supplied

Enhancing Autonomous Satellite Communication Systems with Weather-Aware Scheduling and Reconfiguration

NASA currently provides communication support to over 100 satellite missions, and the agency is driving developments in Ka-band communications and network management automation to support additional future missions. At Ka-band frequencies, rain can degrade a communication link by more than 10 dB, which may be mitigated by agile scheduling and data rate control. We present a weather forecasting module for Ka-band communications that is intended to be used in an autonomous network management service that employs machine-to-machine scheduling systems for dynamic user access opportunities. Our forecasting module (NIMBUS) runs on AWS Cloud, consumes the freely and publicly available NOAA MRMS precipitation rate dataset (1km x 1km x 2-min), produces 30-minute Nowcasts using the pySTEPS algorithm, and publishes high level ground station specific link quality predictions. We evaluate two potential NIMBUS outputs, a binary classifier that predicts rain attenuation greater than 3 dB and a rain attenuation estimator, and we backtest these outputs using one year of power measurement data collected from observations of the geostationary ANIK F2 satellite’s Ka-band beacon. We report, with a 30-minute lead time, a binary classifier accuracy of 84% and an estimator RMSE of 1.67 dB. Additionally, we discuss how the NIMBUS module could be incorporated into a user-initiated service framework to enable weather-aware scheduling and reconfiguration. Operating a static link budget with minimal link margin can increase network operation costs by creating additional scheduling tasks due to failed packets, which may require human intervention and/or lead to inefficient asset utilization. The proposed system aims to increase throughput by reducing link margin, while mitigating increases in network operations costs by leveraging autonomous machine-to-machine scheduling, shortened prediction lead times, and advances in precipitation Nowcasting.

satellite communications↗
NASA NTRS2024

Big Cypress Water Resources: Using Earth Observations to Assess Water Quality in Big Cypress Reservation, FL

Upstream agricultural development and runoff are driving harmful algal blooms in the Big Cypress Reservation. The Seminole Tribe of Florida Environmental Resource Management Department monitors water quality in the Big Cypress Reservation, located on the north end of Big Cypress National Preserve. The Environmental Resource Management Department aims to incorporate Earth observations into its investigative approach, which consists of Geographic Information Systems and in situ water sampling. We assessed the feasibility of using Earth observations to measure harmful algal blooms over time and identify vulnerable areas. We analyzed data from multiple remote sensing platforms and sensors, including Landsat 8 Thermal Infrared Spectrometer(TIRS), Landsat 9 TIRS-2, Landsat 9 Operational Land Imager 2, Sentinel-2 MultiSpectral Instrument, and Sentinel-3 Ocean and Land Color Instrument. We determined that it was challenging to use Sentinel-3, Landsat 8, and Landsat 9 imagery for monitoring the canals within the Reservation, and that Sentinel-2 was the most capable platform for the study area. Using Sentinel-2, we created spectral indices for the detection of algal blooms. We used these indices to measure algal blooms at 8 stations across the Big Cypress Reservation. We then created time series and seasonal decompositions of in situ water sample data and indices to visualize relationships between datasets, along with correlation matrices. Our correlations were not conclusive. However, we found that the spectral indices have the potential to detect algal blooms. Lastly, we evaluated Maxar WorldView-3 imagery and found that using data from sensors with higher spatial resolutions would improve results.

Remote sensing↗
NASA NTRSDate not supplied

Homogenized Ground-Based and Profile Ozone Datasets From the TOAR-II/HEGIFTOM Project: Methods and Station Trends

Within the framework of the second phase of the Tropospheric Ozone Assessment Report (TOAR-II), it was recognized that an essential first step for deriving accurate trends from the ground-based networks that monitor ozone in the free troposphere is putting the measurements on the same basis with respect to absolute references and processing methods. The relevant procedures are referred to as “harmonization” or “homogenization”. The TOAR II working group, “HEGIFTOM” (Harmonization and Evaluation of Ground-based Instruments for Free-Tropospheric Ozone Measurements), has carried out harmonization for five types of network (Figure below) instruments (mid-1990s to 2020): ozonesondes, commercial aircraft IAGOS landing/takeoff profiles, Fourier-Transform Infrared spectrometer (FTIR), tropospheric Lidar, and Brewer/Dobson Umkehr. First, we summarize the homogenization effort for each network that provides new quality-assessed ozone profile or segment (partial column) data sets, including uncertainty estimates and quality flags. Second, with the HEGIFTOM datasets forming the basis for a global assessment of tropospheric ozone column trends, results derived with various trend detection algorithms will be presented. The ultimate goal is evaluation of the consistency of the calculated trends among different techniques at selected stations and/or regions.

ozone↗
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↗
DOE OSTI2024

Assessing Spatial Representativeness of Global Flux Tower Eddy-Covariance Measurements Using Data from FLUXNET2015

Large datasets of carbon dioxide, energy, and water fluxes were measured with the eddy-covariance (EC) technique, such as FLUXNET2015. These datasets are widely used to validate remote-sensing products and benchmark models. One of the major challenges in utilizing EC-flux data is determining the spatial extent to which measurements taken at individual EC towers reflect model-grid or remote sensing pixels. To minimize the potential biases caused by the footprint-to-target area mismatch, it is important to use flux datasets with awareness of the footprint. This study analyze the spatial representativeness of global EC measurements based on the open-source FLUXNET2015 data, using the published flux footprint model (SAFE-f). The calculated annual cumulative footprint climatology (ACFC) was overlaid on land cover and vegetation index maps to create a spatial representativeness dataset of global flux towers. The dataset includes the following components: (1) the ACFC contour (ACFCC) data and areas representing 50%, 60%, 70%, and 80% ACFCC of each site, (2) the proportion of each land cover type weighted by the 80% ACFC (ACFCW), (3) the semivariogram calculated using Normalized Difference Vegetation Index (NDVI) considering the 80% ACFCW, and (4) the sensor location bias (SLB) between the 80% ACFCW and designated areas (e.g. 80% ACFCC and window sizes) proxied by NDVI. Finally, we conducted a comprehensive evaluation of the representativeness of each site from three aspects: (1) the underlying surface cover, (2) the semivariogram, and (3) the SLB between 80% ACFCW and 80% ACFCC, and categorized them into 3 levels. The goal of creating this dataset is to provide data quality guidance for international researchers to effectively utilize the FLUXNET2015 dataset in the future.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2014

Use of Machine Learning Techniques for Iidentification of Robust Teleconnections to East African Rainfall Variability in Observations and Models

Providing advance warning of East African rainfall variations is a particular focus of several groups including those participating in the Famine Early Warming Systems Network. Both seasonal and long-term model projections of climate variability are being used to examine the societal impacts of hydrometeorological variability on seasonal to interannual and longer time scales. The NASA / USAID SERVIR project, which leverages satellite and modeling-based resources for environmental decision making in developing nations, is focusing on the evaluation of both seasonal and climate model projections to develop downscaled scenarios for using in impact modeling. The utility of these projections is reliant on the ability of current models to capture the embedded relationships between East African rainfall and evolving forcing within the coupled ocean-atmosphere-land climate system. Previous studies have posited relationships between variations in El Niño, the Walker circulation, Pacific decadal variability (PDV), and anthropogenic forcing. This study applies machine learning methods (e.g. clustering, probabilistic graphical model, nonlinear PCA) to observational datasets in an attempt to expose the importance of local and remote forcing mechanisms of East African rainfall variability. The ability of the NASA Goddard Earth Observing System (GEOS5) coupled model to capture the associated relationships will be evaluated using Coupled Model Intercomparison Project Phase 5 (CMIP5) simulations.

Roberts, J. Brent↗