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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Pynta-An Automated Workflow for Calculation of Surface and Gas-Surface Kinetics

Many important industrial processes rely on heterogeneous catalytic systems. However, given all possible catalysts and conditions of interest, it is impractical to optimize most systems experimentally. Automatically generated microkinetic models can be used to efficiently consider many catalysts and conditions. However, these microkinetic models require accurate estimation of many thermochemical and kinetic parameters. Manually calculating these parameters is tedious and error prone, involving many interconnected computations. Here, we present Pynta, a workflow software for automating the calculation of surface and gas–surface reactions. Pynta takes the reactants, products, and atom maps for the reactions of interest, generates sets of initial guesses for all species and saddle points, runs all optimizations, frequency, and IRC calculations, and computes the associated thermochemistry and rate coefficients. It is able to consider all unique adsorption configurations for both adsorbates and saddle points, allowing it to handle high index surfaces and bidentate species. Pynta implements a new saddle point guess generation method called harmonically forced saddle point searching (HFSP). HFSP defines harmonic potentials based on the optimized adsorbate geometries and which bonds are breaking and forming that allow initial placements to be optimized using the GFN1-xTB semiempirical method to create reliable saddle point guesses. This method is reaction class agnostic and fast, allowing Pynta to consider all possible adsorbate site placements efficiently. We demonstrate Pynta on 11 diverse reactions involving monodenate, bidentate, and gas-phase species, many distinct reaction classes, and both a low and a high index facet of Cu. Our results suggest that it is very important to consider reactions between adsorbates adsorbed in all unique configurations for interadsorbate group transfers and reactions on high index surfaces.

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

Increased leaf area index and efficiency drive enhanced production under elevated atmospheric [ CO 2 ] in a pine‐dominated stand showing no progressive nitrogen limitation

Abstract Enhancement of net primary production (NPP) in forests as atmospheric [CO 2 ] increases is likely limited by the availability of other growth resources. The Duke Free Air CO 2 Enrichment (FACE) experiment was located on a moderate‐fertility site in the southeastern US, in a loblolly pine ( Pinus taeda L.) plantation with broadleaved species growing mostly in mid‐canopy and understory. Duke FACE ran from 1994 to 2010 and combined elevated [CO 2 ] (eCO 2 ) with nitrogen (N) additions. We assessed the spatial and temporal variation of NPP response using a dataset that includes previously unpublished data from 6 years of the replicated CO 2 × N experiment and extends to 2 years beyond the termination of enrichment. Averaged over time (1997–2010), NPP of pine and broadleaved species were 38% and 52% higher under eCO 2 compared to ambient conditions. Furthermore, there was no evidence of a decline in enhancement over time in any plot regardless of its native site quality. The relation between spatial variation in the response and native site quality was suggested but inconclusive. Nitrogen amendments under eCO 2 , in turn, resulted in an additional 11% increase in pine NPP. For pine, the eCO 2 ‐induced increase in NPP was similar above‐ and belowground and was driven by both increased leaf area index ( L ) and production efficiency (PE = NPP/ L ). For broadleaved species, coarse‐root biomass production was more than 200% higher under eCO 2 and accounted for the entire production response, driven by increased PE. Notably, the fraction of annual NPP retained in total living biomass was higher under eCO 2 , reflecting a slight shift in allocation fraction to woody mass and a lower mortality rate. Our findings also imply that tree growth may not have been only N‐limited, but perhaps constrained by the availability of other nutrients. The observed sustained NPP enhancement, even without N‐additions, demonstrates no progressive N limitation.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1992

Botswana water and surface energy balance research program. Part 1: Integrated approach and field campaign results

The Botswana water and surface energy balance research program was developed to study and evaluate the integrated use of multispectral satellite remote sensing for monitoring the hydrological status of the Earth's surface. Results of the first part of the program (Botswana 1) which ran from 1 Jan. 1988 - 31 Dec. 1990 are summarized. Botswana 1 consisted of two major, mutually related components: a surface energy balance modeling component, built around an extensive field campaign; and a passive microwave research component which consisted of a retrospective study of large scale moisture conditions and Nimbus scanning multichannel microwave radiometer microwave signatures. The integrated approach of both components in general are described and activities performed during the surface energy modeling component including the extensive field campaign are summarized. The results of the passive microwave component are summarized. The key of the field campaign was a multilevel approach, whereby measurements by various similar sensors were made at several altitudes and resolution. Data collection was performed at two adjacent sites of contrasting surface character. The following measurements were made: micrometeorological measurements, surface temperatures, soil temperatures, soil moisture, vegetation (leaf area index and biomass), satellite data, aircraft data, atmospheric soundings, stomatal resistance, and surface emissivity.

Vandegriend, A. A.↗
NASA NTRS2017

A 30+ Year AVHRR Land Surface Reflectance Climate Data Record and Its Application to Wheat Yield Monitoring

The Advanced Very High Resolution Radiometer (AVHRR) sensor provides a unique global remote sensing dataset that ranges from the 1980's to the present. Over the years, several efforts have been made on the calibration of the different instruments to establish a consistent land surface reflectance time-series and to augment the AVHRR data record with data from other sensors such as the Moderate Resolution Imaging Spectroradiometer (MODIS). In this paper, we present a summary of all the corrections applied to the AVHRR Surface Reflectance and NDVI Version 4 Product, developed in the framework of the National Oceanic and Atmospheric Administration (NOAA) Climate Data Record (CDR) program. These corrections result from assessment of the geo-location, improvement of the cloud masking and calibration monitoring. Additionally, we evaluate the performance of the surface reflectance over the AERONET sites by a cross-comparison with MODIS, which is an already validated product, and evaluation of a downstream Leaf Area Index (LAI) product. We demonstrate the utility of this long time-series by estimating the winter wheat yield over the USA. The methods developed by [1] and [2] are applied to both the MODIS and AVHRR data. Comparison of the results from both sensors during the MODIS-era shows the consistency of the dataset with similar errors of 10%. When applying the methods to AVHRR historical data from the 1980's, the results have errors equivalent to those derived from MODIS.

AVHRR↗
DOE OSTI2023

Modeled production, oxidation, and transport processes of wetland methane emissions in temperate, boreal, and Arctic regions

Abstract Wetlands are the largest natural source of methane (CH 4 ) to the atmosphere. The eddy covariance method provides robust measurements of net ecosystem exchange of CH 4 , but interpreting its spatiotemporal variations is challenging due to the co‐occurrence of CH 4 production, oxidation, and transport dynamics. Here, we estimate these three processes using a data‐model fusion approach across 25 wetlands in temperate, boreal, and Arctic regions. Our data‐constrained model—iPEACE—reasonably reproduced CH 4 emissions at 19 of the 25 sites with normalized root mean square error of 0.59, correlation coefficient of 0.82, and normalized standard deviation of 0.87. Among the three processes, CH 4 production appeared to be the most important process, followed by oxidation in explaining inter‐site variations in CH 4 emissions. Based on a sensitivity analysis, CH 4 emissions were generally more sensitive to decreased water table than to increased gross primary productivity or soil temperature. For periods with leaf area index (LAI) of ≥20% of its annual peak, plant‐mediated transport appeared to be the major pathway for CH 4 transport. Contributions from ebullition and diffusion were relatively high during low LAI (<20%) periods. The lag time between CH 4 production and CH 4 emissions tended to be short in fen sites (3 ± 2 days) and long in bog sites (13 ± 10 days). Based on a principal component analysis, we found that parameters for CH 4 production, plant‐mediated transport, and diffusion through water explained 77% of the variance in the parameters across the 19 sites, highlighting the importance of these parameters for predicting wetland CH 4 emissions across biomes. These processes and associated parameters for CH 4 emissions among and within the wetlands provide useful insights for interpreting observed net CH 4 fluxes, estimating sensitivities to biophysical variables, and modeling global CH 4 fluxes.

Ueyama, Masahito↗
DOE OSTI2024

Machine Learning-Driven Quantification of CO2 Plume Dynamics at Illinois Basin Decatur Project Sites Using Microseismic Data

This study utilizes machine learning to quantify CO2 plume extents by analyzing microseismic data from the Illinois Basin Decatur Project (IBDP). Leveraging a unique dataset of well logs, microseismic records, and CO2 injection metrics, this work aims to predict the temporal evolution of subsurface CO2 saturation plumes. The findings illustrate that machine learning can predict plume dynamics, revealing vertical clustering of microseismic events over distinct time periods within certain proximities to the injection well, consistent with an invasion percolation model. The buoyant CO2 plume partially trapped within sandstone intervals periodically breaches localized barriers or baffles, which act as leaky seals and impede vertical migration until buoyancy overcomes gravity and capillary forces, leading to breakthroughs along vertical zones of weakness. Between different unsupervised clustering techniques, K-Means and DBSCAN were applied and analyzed in detail, where K-means outperformed DBSCAN in this specific study by indicating the combination of the highest Silhouette Score and the lowest Davies–Bouldin Index. The predictive capability of machine learning models in quantifying CO2 saturation plume extension is significant for real-time monitoring and management of CO2 sequestration sites. The models exhibit high accuracy, validated against physical models and injection data from the IBDP, reinforcing the viability of CO2 geological sequestration as a climate change mitigation strategy and enhancing advanced tools for safe management of these operations.

Iyegbekedo, Ikponmwosa↗
DOE OSTI2020

Evaluation of VEGETATION and PROBA-V Phenology Using PhenoCam and Eddy Covariance Data

High-quality retrieval of land surface phenology (LSP) is increasingly important for understanding the effects of climate change on ecosystem function and biosphere–atmosphere interactions. We analyzed four state-of-the-art phenology methods: threshold, logistic-function, moving-average and first derivative based approaches, and retrieved LSP in the North Hemisphere for the period 1999–2017 from Copernicus Global Land Service (CGLS) SPOT-VEGETATION and PROBA-V leaf area index (LAI) 1 km V2.0 time series. We validated the LSP estimates with near-surface PhenoCam and eddy covariance FLUXNET data over 80 sites of deciduous forests. Results showed a strong correlation (R 2 > 0.7) between the satellite LSP and ground-based observations from both PhenoCam and FLUXNET for the timing of the start (SoS) and R 2 > 0.5 for the end of season (EoS). The threshold-based method performed the best with a root mean square error of ~9 d with PhenoCam and ~7 d with FLUXNET for the timing of SoS (30th percentile of the annual amplitude), and ~12 d and ~10 d, respectively, for the timing of EoS (40th percentile).

47 OTHER INSTRUMENTATION↗
NASA NTRS2001

A Methodology for Surface Soil Moisture and Vegetation Optical Depth Retrieval Using the Microwave Polarization Difference Index

A methodology for retrieving surface soil moisture and vegetation optical depth from satellite microwave radiometer data is presented. The procedure is tested with historical 6.6 GHz brightness temperature observations from the Scanning Multichannel Microwave Radiometer over several test sites in Illinois. Results using only nighttime data are presented at this time, due to the greater stability of nighttime surface temperature estimation. The methodology uses a radiative transfer model to solve for surface soil moisture and vegetation optical depth simultaneously using a non-linear iterative optimization procedure. It assumes known constant values for the scattering albedo and roughness. Surface temperature is derived by a procedure using high frequency vertically polarized brightness temperatures. The methodology does not require any field observations of soil moisture or canopy biophysical properties for calibration purposes and is totally independent of wavelength. Results compare well with field observations of soil moisture and satellite-derived vegetation index data from optical sensors.

Owe, Manfred↗
DOE OSTI2023

Ding_MICRE_V1.0_Environmental_Parameters

The files contain the a variety of quantities useful in the analysis of MICRE datasets. Specifically, 1) Local meteorological conditions including: sea surface temperature (SST), lower tropospheric stability (LTS), marine cold air outbreak (MCAO) index, inversion height, and lifting condensation level (LCL). 2) Location relative to the oceanic polar front (PF), center of the closest cyclone, and nearest warm fronts and cold fronts 3) Location of air parcels 72 hours prior to its arrival at/above the MICRE site computed using the HYSPLIT back trajectory model

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1984

LANDSAT 4 investigations of Thematic Mapper and multispectral scanner applications

The optimum index factor package was used to choose TM band for color compositing. Processing techniques were also used on TM data over several sites to: (1) reduce the amount of data that needs to be processed and analyzed by using statistical methods or by combining full-resolution products with spatially compressed products; (2) digitally process small subareas to improve the visual appearance of large-scale products or to merge different-resolution image data; and (3) evaluate and compare the information content of the different three-band combinations that can be made using the TM data. Results indicate that for some applications the added spectral information over MSS is even more important than the TM's increased spatial resolution.

Lauer, D. T.↗
NASA NTRS1986

Light interception and leaf area estimates from measurements of grass canopy reflectance

Grassland is a major component of the earth's available land. The vast area and remoteness of this ecosystem makes it difficult to assess its condition and monitor productivity by traditional methods. Remote sensing potentially offers a rapid nondestructive approach for monitoring such ecosystems. A study was carried out in a tallgrass prairie site near Manhattan, Kansas, during the 1983 and 1984 seasons to investigate the feasibility of estimating light interception and green leaf area index (LAI) from measurements of canopy multispectral reflectance. Greenness (Gn) index was found to be strongly correlated with intercepted photosynthetically active radiation (PAR). Two methods, a direct regression (RGR) and an indirect approach (IND), were used to estimate LAI from Gn index. The LAI values estimated by RGR method were consistently lower than the measured ones; however, good agreement was obtained between the LAI values estimated by IND method and the measured LAI. This suggests that Gn transformation of canopy spectral reflectance is more closely related to the fraction of intercepted PAR by green foliage than the quantity of green LAI.

Asrar, G.↗
NASA NTRS1988

Comparison of simulation modeling and satellite techniques for monitoring ecological processes

In 1985 improvements were made in the world climatic data base for modeling and predictive mapping; in individual process models and the overall carbon-balance models; and in the interface software for mapping the simulation results. Statistical analysis of the data base was begun. In 1986 mapping was shifted to NASA-Goddard. The initial approach involving pattern comparisons was modified to a more statistical approach. A major accomplishment was the expansion and improvement of a global data base of measurements of biomass and primary production, to complement the simulation data. The main accomplishments during 1987 included: production of a master tape with all environmental and satellite data and model results for the 1600 sites; development of a complete mapping system used for the initial color maps comparing annual and monthly patterns of Normalized Difference Vegetation Index (NDVI), actual evapotranspiration, net primary productivity, gross primary productivity, and net ecosystem production; collection of more biosphere measurements for eventual improvement of the biological models; and development of some initial monthly models for primary productivity, based on satellite data.

Box, Elgene O.↗
DOE OSTI2023

AmeriFlux FLUXNET-1F US-Bar Bartlett Experimental Forest

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Bar Bartlett Experimental Forest. This is the FLUXNET version of the carbon flux data for the site US-Bar Bartlett Experimental Forest produced by applying the standard ONEFlux (1F) software. Site Description - The Bartlett Experimental Forest (448170 N, 71830 W) is located within the White Mountains National Forest in north-central New Hampshire, USA. The 1050 ha forest extends across an elevational range from 200 to 900 m a.s.l. It was established in 1931 and is managed by the USDA Forest Service Northeastern Research Station in Durham, NH. The climate is humid continental with short, cool summers (mean July temperature, 19.8C) and long, cold winters (mean January temperature, 9.8C). Annual precipitation averages 130 cm and is distributed evenly throughout the year. Soils are developed from glacial till and are predominantly shallow, well-drained spodosols. At lowto mid-elevation, vegetation is dominated by northern hardwoods (American beech, Fagus grandifolia; sugar maple, Acer saccharum; yellow birch, Betula alleghaniensis; with some red maple, Acer rubrum and paper birch, Betula papyrifera). Conifers (eastern hemlock, Tsuga canadensis; eastern white pine, Pinus strobus; red spruce, Picea rubens) are occasionally found intermixed with the more abundant deciduous species but are generally confined to the highest (red spruce) and lowest (hemlock and pine) elevations. In 2003, the site was adopted as a NASA North American Carbon Program (NACP) Tier-2 field research and validation site. A 26.5 m high tower was installed in a low-elevation northern hardwood stand in November, 2003, for the purpose of making eddy covariance measurements of the forest–atmosphere exchange of CO2, H2O and radiant energy. Continuous flux and meteorological measurements began in January, 2004, and are ongoing. Average canopy height in the vicinity of the tower is approximately 20–22 m. In the tower footprint, the forest is predominantly classified into red maple, sugar maple, and American beech forest types. Leaf area index in the vicinity of the tower is 3.6 as measured by seasonal litterfall collection, and 4.5 as measured by the optically based Li-Cor LAI-2000 instrument. Further site information: http://www.fs.fed.us/ne/durham/4155/bartlett.htm

Richardson, Andrew↗
DOE OSTI2023

Structure and magnetism of the triangular lattice material YbBO 3

Abstract YbBO 3 is a member of the orthoborate family of materials which contains a triangular arrangement of Yb 3+ ions. Here we study the physical properties of YbBO 3 with neutron diffraction, inelastic neutron scattering, specific heat, and ac susceptibility measurements. The neutron diffraction measurements confirm that our samples of YbBO 3 crystallize in the monoclinic space group C 2 / c (#15) which contains two crystallographically distinct Yb 3+ sites decorating a slightly distorted triangular lattice. Heat capacity and ac susceptibility measurements indicate a potential transition to magnetic order at 0.4 K. In agreement with these observations, neutron diffraction measurements at 0.044 K observe magnetic Bragg peaks which can be indexed by a propagation vector of (0 0 1). Although determining a unique spin configuration corresponding to the observed magnetic Bragg peaks is not possible, model refinements indicate that the ordered moments are likely in the range of 0.4–0.9 μ B and, notably, require moments on both Yb sites. In addition to the magnetic Bragg peaks, diffuse scattering at low Q is observed indicating that the transition does not correspond to complete long range magnetic order. The two-site picture for YbBO 3 is further evidenced by the number of crystal field excitations observed by inelastic neutron scattering measurements. Together these results show that YbBO 3 is a two-site triangular lattice material with signatures of long-range order as well as shorter ranged spin correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

A high spatial resolution land surface phenology dataset for AmeriFlux and NEON sites

Abstract Vegetation phenology is a key control on water, energy, and carbon fluxes in terrestrial ecosystems. Because vegetation canopies are heterogeneous, spatially explicit information related to seasonality in vegetation activity provides valuable information for studies that use eddy covariance measurements to study ecosystem function and land-atmosphere interactions. Here we present a land surface phenology (LSP) dataset derived at 3 m spatial resolution from PlanetScope imagery across a range of plant functional types and climates in North America. The dataset provides spatially explicit information related to the timing of phenophase changes such as the start, peak, and end of vegetation activity, along with vegetation index metrics and associated quality assurance flags for the growing seasons of 2017–2021 for 10 × 10 km windows centred over 104 eddy covariance towers at AmeriFlux and National Ecological Observatory Network (NEON) sites. These LSP data can be used to analyse processes controlling the seasonality of ecosystem-scale carbon, water, and energy fluxes, to evaluate predictions from land surface models, and to assess satellite-based LSP products.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1993

Study of atmospheric and bidirectional effects on surface reflectance and vegetation index time series: Application to NOAA AVHRR and preparation for future space missions

The objectives of the investigation, namely 'to characterize the atmospheric and directional effects on surface reflectance and vegetation index using the First International Satellite Cloud Climatology Project (ISLCSP) Field Experiment (FIFE) data set, develop new algorithms to obtain better Advanced Very High Resolution Radiometer (AVHRR) indices, and define possible improvements for future satellite missions', were addressed in three separate, yet complementary studies. First, it was shown, from theoretical calculations, that visible and near infrared reflectances combined linearly at optimum (one or two) viewing angles relate linearly to the fraction of photosynthetically available radiation absorbed by plants, f(sub par), can be used independently of the type of foliage and substrate, eliminate the effects of sub-pixel spatial heterogeneity, and improve the accuracy of the f(sub par) estimates when compared to the Normalized Difference Vegetation Index, NDVI. Second, it was demonstrated that NDVI, even though it is not a linear combination of radiances or reflectances, can be spatially integrated without significant loss of information from scales of 300 to 1000 m. Third, AVHRR visible and near-infrared reflectances over the FIFE site, separating temporal and bidirectional components and determining the model parameters through an original iterative scheme was successfully modeled. It appears that NDVI generated from the top-of-atmosphere reflectances normalized by the bidirectional effects (as determined in the scheme) is a better vegetation index than maximum NDVI. Details about the three studies are presented.

Frouin, Robert↗
DOE OSTI2022

200-IA-1 Operable Unit Human Health Risk and Kd Screen

The purpose of this environmental calculation file (ECF) is to provide the following: Document the data processing and data reduction steps taken to prepare the 200-IA-1 Operable Unit (OU) data set that will be used to calculate the sample-specific screening level human health risk evaluation; Document the data processing and data reduction steps taken to prepare the 200-IA-1 OU data set that will be used to identify analytes that could potentially impact groundwater in the future beneath the 200-IA-1 OU representative waste sites; Document the assumptions, equations, and methodologies used to calculate the screening levels for human health cancer risks and noncancer hazards for each representative waste site assigned to the 200-IA-1 OU. Individual measured soil concentrations from 0 to 4.6 m (15 ft) below ground surface (bgs) (shallow vadose zone) are used to calculate the total excess lifetime cancer risk (ELCR) and hazard index (HI) for the outdoor worker scenario to determine if there is a basis for remedial action. Individual measured soil concentrations from the ground surface to the groundwater table are used for the distribution coefficient (Kd) screen to identify analytes that could potentially impact groundwater in the future beneath the 200-IA-1 OU representative waste sites. This ECF supports DOE/RL-2020-51, 200-IA-1 OU Focused Feasibility Study, under the Comprehensive Environmental Response, Compensation, and Liability Act of 1980 (CERCLA). A risk characterization based upon the evaluation of the health risk estimates developed in this ECF will be presented in the focused feasibility study report.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2025

Formation of open ruthenium branched structures with highly exposed active sites for oxygen evolution reaction electrocatalysis

The formation of exposed active sites that have high activity and stability for oxygen evolution reaction (OER) catalysis is a significant opportunity for improving water electrolysers. Low-index facets surface Ru can achieve both high activity and stability for OER. Here, we present a new catalyst design where low-index faceted Ru branches are grown off the corners of Pt nanocubes, forming open Ru branched nanoparticles. This open branched structure, exposing low-index facets on its length-tunable branch, enables a high electrochemically active surface area (ECSA), achieving high activity and stability for OER. This design strategy and synthetic control provide a principle for achieving high-performance OER nanocatalysts.

Xiao, Sa [The University of New South Wales, Sydne↗