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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 289 records · Page 16

Investigating Access Performance of Long Time Series with Restructured Big Model Data

Data sets generated by models are substantially increasing in volume, due to increases in spatial and temporal resolution, and the number of output variables. Many users wish to download subsetted data in preferred data formats and structures, as it is getting increasingly difficult to handle the original full-size data files. For example, application research users such as those involved with wind or solar energy, or extreme weather events are likely only interested in daily or hourly model data at a single point (or for a small area) for a long time period, and prefer to have the data downloaded in a single file. With native model file structures, such as hourly data from NASA Modern-Era Retrospective analysis for Research and Applications Version-2 (MERRA-2), it may take over 10 hours for the extraction of parameters-of-interest at a single point for 30 years. The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is exploring methods to address this particular user need. One approach is to create value-added data by reconstructing the data files. Taking MERRA-2 data as an example, we have tested converting hourly data from one-day-per-file into different data cubes, such as one-month, or one-year. Performance is compared for reading local data files and accessing data through interoperable services, such as OPeNDAP. Results show that, compared to the original file structure, the new data cubes offer much better performance for accessing long time series. We have noticed that performance is associated with the cube size and structure, the compression method, and how the data are accessed. An optimized data cube structure will not only improve data access, but also may enable better online analysis services

reanalysis↗

Small angle neutron scattering and lipidomic analysis of a native, trimeric PSI-SMALP from a thermophilic cyanobacteria

The use of styrene-maleic acid copolymers (SMAs) to produce membrane protein-containing nanodiscs without the initial detergent isolation has gained significant interest over the last decade. We have previously shown that a Photosystem I SMALP from the thermophilic cyanobacterium, Thermosynechococcus elongatus (PSI-SMALP), has much more rapid energy transfer and charge separation in vitro than detergent isolated PSI complexes. In this study, we have utilized small-angle neutron scattering (SANS) to better understand the geometry of these SMALPs. These techniques allow us to investigate the size and shape of these particles in their fully solvated state. Further, the particle's proteolipid core and detergent shell or copolymer belt can be interrogated separately using contrast variation, a capability unique to SANS. Here we report the dimensions of the Thermosynechococcus elongatus PSI-SMALP containing a PSI trimer. At ~1.5 MDa, PSI-SMALP is the largest SMALP to be isolated; our lipidomic analysis indicates it contains ~1300 lipids/per trimeric particle, >40-fold more than the PSI-DDM particle and > 100 fold more than identified in the 1JB0 crystal structure. Interestingly, the lipid composition to the PSI trimer in the PSI-SMALP differs significantly from bulk thylakoid composition, being enriched ~50 % in the anionic sulfolipid, SQDG. Finally, utilizing the contrast match point for the SMA 1440 copolymer, we also can observe the ~1 nm SMA copolymer belt surrounding this SMALP for the first time, consistent with most models of SMA organization.

59 BASIC BIOLOGICAL SCIENCES↗

Protein sequence design with a learned potential

The task of protein sequence design is central to nearly all rational protein engineering problems, and enormous effort has gone into the development of energy functions to guide design. Here, we investigate the capability of a deep neural network model to automate design of sequences onto protein backbones, having learned directly from crystal structure data and without any human-specified priors. The model generalizes to native topologies not seen during training, producing experimentally stable designs. We evaluate the generalizability of our method to a de novo TIM-barrel scaffold. The model produces novel sequences, and high-resolution crystal structures of two designs show excellent agreement with in silico models. Our findings demonstrate the tractability of an entirely learned method for protein sequence design.

59 BASIC BIOLOGICAL SCIENCES↗

Community-Scale Solar Deployment in the Northwest Arctic

NANA Regional Corporation (NRC, or NANA) was formed as an Alaska Native Corporation (ANC) pursuant to the Alaska Native Claims Settlement Act of 1971. Our lands cover 39,000 square miles of the Northwest Arctic region of Alaska. We partner closely with the Northwest Arctic Borough (NAB) and our 11 remote communities on numerous projects and activities, especially around clean energy initiatives that improve quality of life and help to reduce extremely high energy costs experienced by the communities in our region. Collectively, the regional partnership has developed numerous successful solar, wind, biomass, and energy storage, distribution upgrade, and efficiency projects. To further progress, we created the Northwest Arctic Energy Steering Committee to share and replicate these benefits across the region. NANA’s mission is to provide economic opportunities for our more than 13,500 Iñupiat shareholders and to protect and enhance NANA lands.

14 SOLAR ENERGY↗

Surface Radiation Budget (SRB) Release 2.5 QC Longwave 3 hourly Data in Native Format (SRB_REL2.5_QCLW_3HRLY)

This data set contains average surface downward longwave flux, surface net longwave flux, and surface longwave cloud radiative forcing at three hourly intervals for each day for the entire glob between 07/01/1983 and 06/30/2005. These LW surface radiative parameters were derived with the Quality-Check LW (QCLW) algorithm of the NASA World Climate Research Programme/Global Energy and Water-Cycle Experiment (WCRP/GEWEX) Surface Radiation Budget (SRB) Project. [Location=GLOBAL] [Temporal_Coverage: Start_Date=1998-01-01; Stop_Date=2005-06-30] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=1 degree; Longitude_Resolution=Ranges from 1 degree (tropics and subtropics) to 120 degrees (the poles).; Temporal_Resolution=3-hourly; Temporal_Resolution_Range=3-hourly].

SURFACE DOWNWARD LONGWAVE FLUX↗

Surface Radiation Budget (SRB) Release 2.5 QC Longwave Daily Data in Native Format (SRB_REL2.5_QCLW_DAILY)

The data set contains average surface downward longwave flux, surface net longwave flux, and surface longwave cloud radiative forcing measured at three hourly intervals for each day for the entire globe between 07/01/1983 and 6/30/2005. These LW surface radiative parameters were derived with the Quality-Check LW (QCLW) algorithm of the NASA World Climate Research Programme/Global Energy and Water-Cycle Experiment (WCRP/GEWEX) Surface Radiation Budget (SRB) Project. [Location=GLOBAL] [Temporal_Coverage: Start_Date=1998-01-01; Stop_Date=2005-06-30] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=1 Degree; Longitude_Resolution=Ranges from 1 degree (tropics and subtropics) to 120 degrees (the poles).; Temporal_Resolution=daily; Temporal_Resolution_Range=daily].

CLOUD FORCING↗

Community-Scale AHA Go Solar Initiative and Net Zero Initiative

The Saint Regis Mohawk Tribe is a sovereign, federally acknowledged Indian Tribe. The Tribal Council created the Akwesasne Housing Authority (AHA) by ordinance in July 1984 and has designated the AHA as its agency for purposes of administering the Tribe’s Indian Housing Block Grant under the Native American Housing and Self-Determination Act of 1996. The Go Solar project will install approximately 615 kilowatts (kW) of solar photovoltaic (PV) facilities to serve housing related buildings on the Tribe’s reservation and use net metering programs to reduce the energy costs for AHA and Tribal members by up to $\$$4,417,501 over the life of the project. AHA will initiate four (4) net zero buildings: two (2) new net zero low-income housing buildings located at Sunrise Acres III, which include the Veterans Supportive Housing Building and the Seniors Supportive Housing building, and one (1) older, existing net zero building used by the Akwesasne Boys & Girls Club (ABGC Building), and (1) Tribal Administration Building.

14 SOLAR ENERGY↗

Engineering, construction, and operations in space

The century-old Mond process for carbonyl extraction of metals from ore shows great promise as an efficient low energy scheme for producing high-purity Fe, Ni, Cr, Mn, and Co from lunar or asteroidal feedstocks. Scenarios for winning oxygen from the lunar regolith can be enhanced by carbonyl processing of the metallic alloy by-products of such operations. The native metal content of asteroidal regoliths is even more suitable to carbonyl processing. High-purity, corrosion resistant Fe and Ni can be extracted from asteroidial feedstocks along with a Co-rich residue containing 0.5 percent platinum-group metals. The resulting gaseous metal carbonyl can produce a variety of end products using efficient vapor forming techniques.

Johnson, Stewart W.↗

Subsurface Characterization and Machine Learning Predictions at Brady Hot Springs Results

Geothermal power plants typically show decreasing heat and power production rates over time. Mitigation strategies include optimizing the management of existing wells - increasing or decreasing the fluid flow rates across the wells - and drilling new wells at appropriate locations. The latter is expensive, time-consuming, and subject to many engineering constraints, but the former is a viable mechanism for periodic adjustment of the available fluid allocations. Data and supporting literature from a study describing a new approach combining reservoir modeling and machine learning to produce models that enable strategies for the mitigation of decreased heat and power production rates over time for geothermal power plants. The computational approach used enables translation of sets of potential flow rates for the active wells into reservoir-wide estimates of produced energy and discovery of optimal flow allocations among the studied sets. In our computational experiments, we utilize collections of simulations for a specific reservoir (which capture subsurface characterization and realize history matching) along with machine learning models that predict temperature and pressure timeseries for production wells. We evaluate this approach using an "open-source" reservoir we have constructed that captures many of the characteristics of Brady Hot Springs, a commercially operational geothermal field in Nevada, USA. Selected results from a reservoir model of Brady Hot Springs itself are presented to show successful application to an existing system. In both cases, energy predictions prove to be highly accurate: all observed prediction errors do not exceed 3.68% for temperatures and 4.75% for pressures. In a cumulative energy estimation, we observe prediction errors that are less than 4.04%. A typical reservoir simulation for Brady Hot Springs completes in approximately 4 hours, whereas our machine learning models yield accurate 20-year predictions for temperatures, pressures, and produced energy in 0.9 seconds. This paper aims to demonstrate how the models and techniques from our study can be applied to achieve rapid exploration of controlled parameters and optimization of other geothermal reservoirs. Includes a synthetic, yet realistic, model of a geothermal reservoir, referred to as open-source reservoir (OSR). OSR is a 10-well (4 injection wells and 6 production wells) system that resembles Brady Hot Springs (a commercially operational geothermal field in Nevada, USA) at a high level but has a number of sufficiently modified characteristics (which renders any possible similarity between specific characteristics like temperatures and pressures as purely random). We study OSR through CMG simulations with a wide range of flow allocation scenarios. Includes a dataset with 101 simulated scenarios that cover the period of time between 2020 and 2040 and a link to the published paper about this project, where we focus on the Machine Learning work for predicting OSR's energy production based on the simulation data, as well as a link to the GitHub repository where we have published the code we have developed (please refer to the repository's readme file to see instructions on how to run the code). Additional links are included to associated work led by the USGS to identify geologic factors associated with well productivity in geothermal fields. Below are the high-level steps for applying the same modeling + ML process to other geothermal reservoirs: 1. Develop a geologic model of the geothermal field. The location of faults, upflow zones, aquifers, etc. need to be accounted for as accurately as possible 2. The geologic model needs to be converted to a reservoir model that can be used in a reservoir simulator, such as, for instance, CMG STARS, TETRAD, or FALCON 3. Using native state modeling, the initial temperature and pressure distributions are evaluated, and they become the initial conditions for dynamic reservoir simulations 4....

15 GEOTHERMAL ENERGY↗

Surface Radiation Budget (SRB) Release 2 Shortwave 3 hourly Monthly Data in Native Format (SRB_REL2_SW_3HRLY_MONTHLY)

The SRB data include the average upward and downward fluxes, photosynthetically active radiative flux, aerosol and cloud optical depth, cloud fraction, and solar zenith angle at three hourly intervals for each day for the entire globe between 07/01/1983 and 10/31/1995. These parameters were derived with the Shortwave algorithm of the NASA World Climate Research Programme/Global Energy and Water-Cycle Experiment (WCRP/GEWEX) Surface Radiation Budget (SRB) Project. [Location=GLOBAL] [Temporal_Coverage: Start_Date=1983-07-01; Stop_Date=1998-07-26] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=1 degree; Longitude_Resolution=Ranges from 1 degree (tropics and subtropics 120 degrees (the poles); Temporal_Resolution=3 hourly; Temporal_Resolution_Range=3 hourly].

AEROSOL OPTICAL DEPTH↗

Surface Radiation Budget (SRB) Release 2 Shortwave Monthly Data in Native Format (SRB_REL2_SW_MONTHLY)

The SRB data include the average upward and downward fluxes, photosynthetically active radiative flux, aerosol and cloud optical depth, cloud fraction, and solar zenith angle at three hourly intervals for each day for the entire globe between 07/01/1983 and 10/31/1995. These parameters were derived with the Shortwave algorithm of the NASA World Climate Research Programme /Global Energy and Water-Cycle Experiment (WCRP/GEWEX) Surface Radiation Budget (SRB) Project. [Location=GLOBAL] [Temporal_Coverage: Start_Date=1983-07-01; Stop_Date=1998-07-26] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=1 degree; Longitude_Resolution=Ranges from 1 degree in the tropics to 120 degrees at the poles.; Temporal_Resolution=monthly; Temporal_Resolution_Range=monthly].

DIRECT/DIFFUSE SOLAR RADIATION↗

Molecular mechanism of secreted amyloid-β precursor protein in binding and modulating GABABR1a

A recent phenomenal study discovered that the extension domain of secreted amyloid-β precursor protein (sAPP) can bind to the intrinsically disordered sushi 1 domain of the γ-aminobutyric acid type B receptor subunit 1a (GABA B R1a) and modulate its synaptic transmission. The work provided an important structural foundation for the modulation of GABA B R1a; however, the detailed molecular interaction mechanism, crucial for future drug design, remains elusive. Here, we further investigated the dynamical interactions between sAPP peptides and the natively unstructured sushi 1 domain using all-atom molecular dynamics simulations, for both the 17-residue sAPP peptide (APP 17-mer) and its minimally active 9 residue segment (APP 9-mer). We then explored mutations of the APP 9-mer with rigorous free energy perturbation (FEP) calculations. Our in silico mutagenesis studies revealed key residues (D4, W6, and W7) responsible for the binding with the sushi 1 domain. More importantly, one double mutation based on different vertebrate APP sequences from evolution exhibited a stronger binding (ΔΔG = -1.91 ± 0.66 kcal mol -1 ), indicating a potentially enhanced GABA B R1a modulator. These large-scale simulations may provide new insights into the binding mechanism between sAPP and the sushi 1 domain, which could open new avenues in the development of future GABA B R1a-specific therapeutics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simulating the Phonon Collection Efficiency in KIPMDs

Kinetic inductance phonon-mediated (KIPM) detectors use microwave kinetic inductance detectors (MKIDs) to read out phonon signals in the substrate. They are a promising class of detectors to be used in light dark matter (DM) searches due to their potential eV-scale sensitivity and native frequency-domain multiplexability. In order to improve upon the design of these detectors, simulations are needed to understand the effects of detector design on measurable physical parameters including the phonon collection efficiency, $\eta_{ph}$, which is defined as the ratio of phonon energy detected by the sensitive target element to the incident energy deposited in the substrate. This work simulates the phonon collection efficiency for a KIPMD currently operated at the Northwestern EXperimental Underground Site (NEXUS).

Dang, Stella Q.↗

Simulating the Phonon Collection Efficiency in Kinetic Inductance Phonon-Mediated Detectors

Kinetic inductance phonon-mediated (KIPM) detectors use microwave kinetic inductance detectors (MKIDs) to read out phonon signals in the substrate. They are a promising class of detectors to be used in light dark matter (DM) searches due to their potential eV-scale sensitivity and native frequency-domain multiplexability. In order to improve upon the design of these detectors, simulations are needed to understand the effects of detector design on measurable physical parameters including the phonon collection efficiency, $\eta_{ph}$, which is defined as the ratio of phonon energy detected by the sensitive target element to the incident energy deposited in the substrate. This work simulates the phonon collection efficiency for two existing detector architectures to study phonon absorption at substrate-sensor interfaces and phonon loss to non-sensitive detector elements.

Dang, Stella Q.↗

Surface Radiation Budget (SRB) Release 2 Shortwave Daily Data in Native Format (SRB_REL2_SW_DAILY)

This data set contains upward and downward fluxes, photosynthetically active radiative flux, aerosol and cloud optical depth, cloud fraction, and solar zenith angle measured at three hourly intervals for each day for the entire globe between 07/01/1983 and 10/31/1995. These SW surface radiative parameters were derived with the Shortwave algorithm of the NASA World Climate Research Programme/Global Energy and Water-Cycle Experiment (WCRP/GEWEX) Surface Radiation Budget (SRB) Project. [Location=GLOBAL] [Temporal_Coverage: Start_Date=1983-07-01; Stop_Date=1998-07-26] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=1 degree; Longitude_Resolution=Ranges from 1 degree (tropics and subtropics) to 120 degrees (the poles).; Temporal_Resolution=daily; Temporal_Resolution_Range=daily].

ALL SKY SW SURFACE UPWARD FLUX↗

Promising approaches for the assembly of the catalytically active, recombinant Desulfomicrobium baculatum hydrogenase with substitutions at the active site

Background: Hydrogenases (H2ases) are metalloenzymes capable of the reversible conversion of protons and electrons to molecular hydrogen. Exploiting the unique enzymatic activity of H2ases can lead to advancements in the process of biohydrogen evolution and green energy production. Results: Here we created of a functional, optimized operon for rapid and robust production of recombinant [NiFe] Desulfomicrobium baculatum hydrogenase (Dmb H2ase). The conversion of the [NiFeSe] Dmb H2ase to [NiFe] type was performed on genetic level by site-directed mutagenesis. The native dmb operon includes two structural H2ase genes, coding for large and small subunits, and an additional gene, encoding a specific maturase (protease) that is essential for the proper maturation of the enzyme. Dmb, like all H2ases, needs intricate bio-production machinery to incorporate its crucial inorganic ligands and cofactors. Strictly anaerobic, sulfate reducer D. baculatum bacteria are distinct, in terms of their biology, from E. coli. Thus, we introduced a series of alterations within the native dmb genes. As a result, more than 100 elements, further compiled into 32 operon variants, were constructed. The initial requirement for a specific maturase was omitted by the artificial truncation of the large Dmb subunit. The assembly of the produced H2ase subunit variants was investigated both, in vitro and in vivo. This approach resulted in 4 recombinant [NiFe] Dmb enzyme variants, capable of H 2 evolution. The aim of this study was to overcome the gene expression, protein biosynthesis, maturation and ligand loading bottlenecks for the easy, fast, and cost-effective delivery of recombinant [NiFe] H2ase, using a commonly available E. coli strains. Conclusion: The optimized genetic constructs together with the developed growth and purification procedures appear to be a promising platform for further studies toward fully-active and O 2 tolerant, recombinant [NiFeSe] Dmb H2ase, resembling the native Dmb enzyme. It could likely be achieved by selective cysteine to selenocysteine substitution within the active site of the [NiFe] Dmb variant.

59 BASIC BIOLOGICAL SCIENCES↗

Accelerated screening of functional atomic impurities in halide perovskites using high-throughput computations and machine learning

The pressing need for novel materials that can serve rising demands in solar cell and optoelectronic technologies makes the nexus of halide perovskites, high-throughput computations, and machine learning, very promising. Ever increasing amounts of data on the structure, fundamental properties, and device performance of halide perovskites provide opportunities for learning chemical rules and design principles that make these materials attractive, and applying them across wide chemical spaces. In this work, we show that impurity properties of halide perovskites computed using density functional theory (DFT) can be combined with machine learning (ML) to deliver predictive models and quick identification of optoelectronically active impurity atoms. Our computation lead to the largest reported dataset of the formation energies and charge transition levels of Pb-site impurities in methylammonium lead halide (MAPbX 3 ) perovskites. Descriptors are defined to uniquely represent any impurity atom in any MAPbX 3 compound and mapped to the computed impurity properties using regression techniques such as Gaussian process regression, neural networks, and random forests. We use the best optimized predictive models to make predictions for hundreds of impurities across 9 MAPbX 3 compounds and create lists of dominating impurities, that is, impurities that can shift the equilibrium Fermi level in the perovskite as determined by native point defects. Finally, this accelerated screening powered by computations and machine learning can guide the identification of problematic impurities that may cause undesired recombination of charge carriers, as well as impurities that can be deliberately introduced to tune the perovskite conductivity and resulting photovoltaic absorption.

36 MATERIALS SCIENCE↗

Surface Radiation Budget (SRB) Release 2 Shortwave 3 hourly Data in Native Format (SRB_REL2_SW_3HRLY)

The SRB data include the average upward and downward fluxes, photosynthetically active radiative flux, aerosol and cloud optical depth, cloud fraction, and solar zenith angle measured at three hourly intervals for each day for the entire globe between 07/01/1983 and 10/31/1995. These SW surface radiative parameters were derived with the Shortwave algorithm of the NASA World Climate Research Programme/Global Energy and Water-Cycle Experiment (WCRP/GEWEX) Surface Radiation Budget (SRB) Project. [Location=GLOBAL] [Temporal_Coverage: Start_Date=1983-07-01; Stop_Date=1998-07-26] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=1 degree; Longitude_Resolution=Ranges from 1 degree (tropics and subtropics) to 120 degrees (the poles).; Temporal_Resolution=3 hourly; Temporal_Resolution_Range=3 hourly].

ALL SKY SW SURFACE DOWNWARD DIFFUSE FLUX↗