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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Land-Use Change, Soil Process and Trace Gas Fluxes in the Brazilian Amazon Basin

We measured changes in key soil processes and the fluxes of CO2, CH4 and N2O associated with the conversion of tropical rainforest to pasture in Rondonia, a state in the southwest Amazon that has experienced rapid deforestation, primarily for cattle ranching, since the late 1970s. These measurements provide a comprehensive quantitative picture of the nature of surface soil element stocks, C and nutrient dynamics, and trace gas fluxes between soils and the atmosphere during the entire sequence of land-use change from the initial cutting and burning of native forest, through planting and establishment of pasture grass and ending with very old continuously-pastured land. All of our work is done in cooperation with Brazilian scientists at the Centro de Energia Nuclear na Agricultura (CENA) through an extant official bi-lateral agreement between the Marine Biological Laboratory and the University of Sao Paulo, CENA's parent institution.

Melillo, Jerry M.↗
DOE OSTI2024

Defect Engineering of Bi 2 SeO 2 Thermoelectrics

Abstract Bi 2 SeO 2 is a promising n ‐type semiconductor to pair with p ‐type BiCuSeO in a thermoelectric (TE) device. The TE figure of merit zT and, therefore, the device efficiency must be optimized by tuning the carrier concentration. However, electron concentrations in self‐doped n ‐type Bi 2 SeO 2 span several orders of magnitude, even in samples with the same nominal compositions. Such unsystematic variations in the electron concentration have a thermodynamic origin related to the variations in native defect concentrations. In this study, first‐principles calculations are used to show that the selenium vacancy, which is the source of n ‐type conductivity in Bi 2 SeO 2 , varies by 1–2 orders of magnitude depending on the thermodynamic conditions. It is predicted that the electron concentration can be enhanced by synthesizing under more Se‐poor conditions and/or at higher solid‐state reaction temperatures ( T SSR ), which promote the formation of selenium vacancies without introducing extrinsic dopants. The computational predictions are validated through solid‐state synthesis of Bi 2 SeO 2 . More than two orders of magnitude increase are observed in the electron concentration simply by adjusting the synthesis conditions. Additionally, a significant effect of grain boundary scattering on the electron mobility in Bi 2 SeO 2 is revealed, which can also be controlled by adjusting T SSR . By simultaneously optimizing the electron concentration and mobility, a zT of ≈0.2 is achieved at 773 K for self‐doped n ‐type Bi 2 SeO 2 . The study highlights the need for careful control of thermodynamic growth conditions and demonstrates TE performance improvement by varying synthesis parameters according to thermodynamic guidelines.

Novitskii, Andrei [MANA, National Institute for Ma↗
DOE OSTI2017

Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2

The suppressor of T cell signaling (Sts) proteins, Sts-1 and Sts-2, are homologous phosphatases that negatively regulate signaling pathways downstream of the T cell receptor. Functional inactivation of Sts-1 and Sts-2 in a murine model leads to resistance to systemic infection by the opportunistic pathogen, Candida albicans. This suggests that modulation of the host immune response by inhibiting Sts function may be a viable strategy for treating these deadly fungal pathogen infections. To better understand the molecular determinants of function and structure, we characterized the structure and steady-state kinetics of the histidine phosphatase domains of human Sts-1 (Sts-1 HP ) and Sts-2 (Sts-2 HP ). We determined the X-ray crystal structures of unliganded Sts-1 HP and Sts-1 HP in complex with sulfate to 2.5 and 1.9 Å, respectively, and the structure of Sts-2 HP with sulfate to 2.4 Å. Here, the steady-state kinetic analysis shows, as expected, that Sts-1 HP has a phosphatase activity significantly higher than that of Sts-2 HP and that the human and mouse proteins behave similarly. In addition, comparison of the phosphatase activity of full-length Sts-1 protein to Sts-1 HP reveals similar kinetics, indicating that Sts-1 HP is a functional surrogate for the native protein. We also tested known phosphatase inhibitors and determined that the SHP-1 inhibitor, PHPS1, is a potent inhibitor of Sts-1 (K i = 1.05 ± 0.15 μM). Finally, we demonstrated that human Sts-1 has robust phosphatase activity against the substrate, Zap-70, in a cell-based assay. Collectively, these data suggest that the human Sts proteins are druggable targets and provide a structural basis for future drug development efforts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2022

Southern Wyoming Ecological Forecasting: Monitoring Cheatgrass in Southern Wyoming and Northern Colorado to Inform Management Efforts Post-Mullen Fire

Cheatgrass (Bromus tectorum) is a prominent invasive species in the Intermountain West that has the potential to out-compete native plant species, reduce biodiversity, and reduce the quality of habitat for ungulates. Furthermore, because cheatgrass readily establishes in disturbed landscapes, it can potentially increase fuel loads and exacerbate wildfire risk. In 2020, the Mullen Fire burned 176,878 acres in Carbon and Albany Counties, Wyoming and Jackson County, Colorado. Large fires such as this one raise concern for partners at the United States Forest Service and the United States Geological Survey Fort Collins Science Center, who are tasked with rapidly detecting and controlling invasive species in the post-fire environment. We developed a Random Forest model trained by in-situ field data and spectral indices such as Normalized Difference Vegetation Index (NDVI), Soil Adjusted Vegetation Index, and Enhanced Vegetation Index derived from Landsat 8 Operational Land Imager, Sentinel-2 MultiSpectral Instrument, and Shuttle Radar Topography Mission to detect and map cheatgrass presence during the 2021 growing season. The team successfully created a spectral cheatgrass detection map in the study area (RMSE = 13.71, R2 = 0.34). We also produced a NDVI time-series derived from Sentinel-2 MSI to analyze vegetation recovery patterns.

Dahlia Shahin↗
DOE OSTI2019

Data from: Nitrous oxide emissions during establishment of eight alternative cellulosic bioenergy cropping systems in the North Central United States

Greenhouse gas (GHG) emissions from soils are a key sustainability metric of cropping systems. During crop establishment, disruptive land-use change is known to be a critical, but under reported period, for determining GHG emissions. We measured soil N2O emissions and potential environmental drivers of these fluxes from a three-year establishment-phase bioenergy cropping systems experiment replicated in southcentral Wisconsin (ARL) and southwestern Michigan (KBS). Cropping systems treatments were annual monocultures (continuous corn, corn–soybean–canola rotation), perennial monocultures (switchgrass, miscanthus, and poplar), and perennial polycultures (native grass mixture, early successional community, and restored prairie) all grown using best management practices specific to the system. Cumulative three-year N2O emissions from annuals were 142% higher than from perennials, with fertilized perennials 190% higher than unfertilized perennials. Emissions ranged from 3.1 to 19.1 kg N2O-N ha−1 yr−1 for the annuals with continuous corn > corn–soybean–canola rotation and 1.1 to 6.3 kg N2O-N ha−1 yr−1 for perennials. Nitrous oxide peak fluxes typically were associated with precipitation events that closely followed fertilization. Bayesian modeling of N2O fluxes based on measured environmental factors explained 33% of variability across all systems. Models trained on single systems performed well in most monocultures (e.g., R2 = 0.52 for poplar) but notably worse in polycultures (e.g., R2 = 0.17 for early successional, R2 = 0.06 for restored prairie), indicating that simulation models that include N2O emissions should be parameterized specific to particular plant communities. Our results indicate that perennial bioenergy crops in their establishment phase emit less N2O than annual crops, especially when not fertilized. These findings should be considered further alongside yield and other metrics contributing to important ecosystem services.

09 BIOMASS FUELS↗
DOE OSTI2023

Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins

A challenge for design of protein–small-molecule recognition is that incorporation of cavities with size, shape, and composition suitable for specific recognition can considerably destabilize protein monomers. This challenge can be overcome through binding pockets formed at homo-oligomeric interfaces between folded monomers. Interfaces surrounding the central homo-oligomer symmetry axes necessarily have the same symmetry and so may not be well suited to binding asymmetric molecules. To enable general recognition of arbitrary asymmetric substrates and small molecules, we developed an approach to designing asymmetric interfaces at off-axis sites on homo-oligomers, analogous to those found in native homo-oligomeric proteins such as glutamine synthetase. We symmetrically dock curved helical repeat proteins such that they form pockets at the asymmetric interface of the oligomer with sizes ranging from several angstroms, appropriate for binding a single ion, to up to more than 20 Å across. Of the 133 proteins tested, 84 had soluble expression in E. coli, 47 had correct oligomeric states in solution, 35 had small-angle X-ray scattering (SAXS) data largely consistent with design models, and 8 had negative-stain electron microscopy (nsEM) 2D class averages showing the structures coming together as designed. Both an X-ray crystal structure and a cryogenic electron microscopy (cryoEM) structure are close to the computational design models. The nature of these proteins as homo-oligomers allows them to be readily built into higher-order structures such as nanocages, and the asymmetric pockets of these structures open rich possibilities for small-molecule binder design free from the constraints associated with monomer destabilization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Selective Biosorption of Valuable Rare Earth Elements Among Co-Occurring Lanthanides

To meet the increasing demand for rare earth elements (REEs) essential for low carbon-intensity energy technologies, new methods are needed for selective REE extraction from unconventional resources. Only a few REEs have significant economic value, but isolation of target rare earths from co-occurring lanthanides is challenging due to their similar chemical behavior. We present a novel approach to enhance separation of specific REEs from lanthanide mixtures. Escherichia coli cells engineered with lanthanide binding tags (LBTs) were immobilized in nonadsorbing, permeable polyethylene glycol diacrylate beads and packed into continuous flow, fixed-bed columns. Breakthrough of 15 rare earths in the +3 oxidation state resulted in notable differences in adsorption selectivity, with greatest separation between europium (Eu) and lanthanum (La) due to competitive displacement. REE adsorption onto fixed-bed columns was predicted by coupling a surface complexation model to a calibrated one-dimensional dual porosity transport model that accounts for interbead advective and intrabead diffusive transport. A tradeoff between high-abundance, low-affinity native carboxyl sites and low-abundance, high-affinity engineered LBT sites dictates process recovery efficiency and selectivity. Key chemical and operational parameters are identified to maximize selective extraction of high-value lanthanides, achieving a threefold enhancement of Eu recovery relative to La in a mixed REE solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Rewiring Aromatic Compound Consumption: Chromosomal Amplification and Evolution of a Foreign Pathway in Acinetobacter baylyi ADP1

Rational engineering strategies that seek to harness the remarkable diversity of microbial metabolism can be limited by incomplete biological knowledge. As described here, a novel approach to address this challenge involved replacing a native pathway for degrading lignin-derived aromatic compounds via ortho cleavage of protocatechuate in Acinetobacter baylyi ADP1 with a foreign meta-cleavage pathway that uses different enzymes, metabolites, and redox carriers. This alteration may improve lignin valorization and coordinate catabolism with bioproduction strategies. When a 14-kbp region of foreign DNA was inserted in the chromosome, the heterologous genes failed to confer growth on target substrates. Regional gene dosage was increased using a synthetic DNA fragment to promote recombination, and higher copy number enabled growth. During adaptive laboratory evolution, compensatory mutations arose that permit growth with one copy of the foreign genes. This complex metabolic remodeling was accomplished without assumptions about the impediments that initially prevented growth. To understand the changes that emerged, a novel transformation assay identified a combination of mutations sufficient for the new phenotype. Three unexpected changes were revealed: loss of one foreign enzyme, loss of one native enzyme, and loss of a two-component transcriptional regulatory system. This study establishes that large multicopy tandem arrays of poorly adapted pathway genes can confer new functions and improve understanding of metabolism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

High Penetration Solar and Battery Project in Noatak, Alaska

Through funding from the Department of Energy’s Office of Indian Energy, the Northwest Arctic Borough (NAB) and the Native Village of Noatak (NNV) formed a Tribal Energy Development Organization (TEDO) to implement the Noatak Solar and Battery Project to reduce reliance on costly imported diesel, stabilize energy costs, and strengthen local energy sovereignty.

14 SOLAR ENERGY↗
DOE OSTI2017

Centralized Activities in Support of the Radiative Forcing Model Intercomparison Project

A new paradigm in benchmark absorption-scattering radiative transfer is presented that enables both the globally-averaged and spatially-resolved testing of climate model radiation parameterizations using a novel benchmark computational strategy to uncover persistent sources of biases in the aerosol Instantaneous Radiative Effect (IRE). A proof-of-concept is demonstrated with the GFDL AM4 and CESM 1.2.2 climate models. Instead of prescribing atmospheric conditions and aerosols, as in prior intercomparisons, snapshots of the atmospheric state and aerosol optical properties from the participating models are used as inputs to a highly accurate radiation solver to uncover relevant biases unique to each climate model. These diagnostic results show that the models’ aerosol IRE bias is of the same magnitude as the persistent intermodel spread (~1 W/m2), and varies spatially and with intrinsic aerosol optical properties. The findings underscore the significance of native model error analysis and its ability to diagnose global biases, confirming its fundamental value for the Radiative Forcing Model Intercomparison Project (RFMIP).

58 GEOSCIENCES↗
DOE OSTI2024

First-principles study of hydrogen- and oxygen-related complexes in ScN

Scandium nitride (ScN) is an attractive material for electronic applications due to its high n-type conductivity. Native defects and unintentional impurities may limit its electron concentration and reduce its mobility; therefore, it is important to control their formation and incorporation. Hydrogen and oxygen are unintentional impurities that are commonly present during growth and processing. They act as shallow donors in ScN and hence may be regarded as harmless or even favorable to achieving n-type conductivity. Here we show, using state-of-the-art first-principles calculations, that these impurities can be detrimental because they readily form complexes with scandium vacancies (V Sc ). Isolated V Sc have relatively high formation energies and thus have low concentrations and little impact on electronic properties. However, complexes between V Sc and either hydrogen or oxygen form more readily than the pristine vacancy and will act as both compensating and scattering centers. Our results point to the importance of controlling the incorporation of hydrogen and oxygen in ScN (and AlScN alloys) to avoid degradation of the electronic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Control And Optimization Modular Modeling Application For Nuclear Deployment

The purpose of the COMMAND code is to provide a flexible, scalable tool for use in developing, integrating, and testing the technologies necessary for achieving autonomous operations of advanced nuclear reactors. The code enables users to efficiently implement custom simulations and experiments by combining key methods from different software modules. These modules are focused on: modeling and simulation tools, such as nuclear simulation tools used for high-fidelity modeling (e.g., Reactor Excursion and Leak Analysis Program [RELAP5-3D] and Monte Carlo N-Particle [MCNP]); machine learning and optimization tools (e.g., anomaly detection and data-driven modeling techniques); advanced control in its digital, high-performance, and supervisory control forms (e.g., proportional integral derivative (PID) control and model predictive control (MPC); and integration with hardware through industrial communication protocols. To ensure flexibility and scalability, COMMAND was designed to be both modular—the software “pieces” all inherit from generic building blocks and can be combined and connected to create complicated simulations—and high performing—designed for parallel processing, enabling simulations and experiments to take advantage of multi-core computers, servers, and nodes. The code is written in the Python programming language due to the language's popularity, active community, and open-source and cross-platform nature. Maintaining consistency with other simulation tools used within the nuclear energy community, users implement simulations and experiments through text input files, which define components, parameters, connections, etc., through lines of text. Given that COMMAND is written in Python, these input files are native Python scripts, and so use the standard Python structure and formatting. This also enables users to take advantage of Python's extensive package library to develop custom capabilities for their specific use cases.

Faber, Jacob [Idaho National Laboratory (INL), Ida↗
NASA NTRS1986

Identification of the Ga interstitial in Al(x)Ga(1-x)As by optically detected magnetic resonance

A new optically detected magnetic resonance spectrum in Al(x)Ga(1-x)As is reported and assigned to native Ga interstitials. Luminescence-quenching signals were observed over the energy region from 0.75 to 1.1 eV. The optically detected magnetic resonance is nearly isotropic, with spin-Hamiltonian parameters g = 2.025 + or - 0.006, central hyperfine splitting A(Ga-69) = 0.050 + or - 0.001/cm, and A(Ga-71) = 0.064 + or - 0.001/cm for H near the 001 line. The strong hyperfine coupling denotes an electronic state of A1 symmetry, which current theories predict for the Ga interstitial but not the Ga antisite. The slight anisotropy probably indicates that the Ga(i) is paired with a second, unknown defect.

Kennedy, T. A.↗
NASA NTRS1995

Performance Comparison of a Matrix Solver on a Heterogeneous Network Using Two Implementations of MPI: MPICH and LAM

Two of the current and most popular implementations of the Message-Passing Standard, Message Passing Interface (MPI), were contrasted: MPICH by Argonne National Laboratory, and LAM by the Ohio Supercomputer Center at Ohio State University. A parallel skyline matrix solver was adapted to be run in a heterogeneous environment using MPI. The Message-Passing Interface Forum was held in May 1994 which lead to a specification of library functions that implement the message-passing model of parallel communication. LAM, which creates it's own environment, is more robust in a highly heterogeneous network. MPICH uses the environment native to the machine architecture. While neither of these free-ware implementations provides the performance of native message-passing or vendor's implementations, MPICH begins to approach that performance on the SP-2. The machines used in this study were: IBM RS6000, 3 Sun4, SGI, and the IBM SP-2. Each machine is unique and a few machines required specific modifications during the installation. When installed correctly, both implementations worked well with only minor problems.

Phillips, Jennifer K.↗
NASA NTRS1997

Application of NASA's Advanced Life Support Technologies in Polar Regions

The problems of obtaining adequate pure drinking water and disposing of liquid and solid waste in the U.S Arctic, a region where virtually all water is frozen solid for much of the year, has led to unsanitary solutions. Sanitation and a safe water supply are particularly problems in rural villages. These villages are without running water and use plastic buckets for toilets. The outbreak of diseases is believed to be partially attributable to exposure to human waste and lack of sanitation. Villages with the most frequent outbreaks of disease are those in which running water is difficult to obtain. Waste is emptied into open lagoons, rivers, or onto the sea coast. It does not degrade rapidly and in addition to affecting human health, can be harmful to the fragile ecology of the Arctic and the indigenous wildlife and fish populations. Current practices for waste management and sanitation pose serious human hazards as well as threaten the environment. NASA's unique knowledge of water/wastewater treatment systems for extreme environments, identified in the Congressional Office of Technology Assessment report entitled An Alaskan Challenge: Native Villagt Sanitation, may offer practical solutions addressing the issues of safe drinking water and effective sanitation practices in rural villages. NASA's advanced life support technologies are being combined with Arctic science and engineering knowledge to address the unique needs of the remote communities of Alaska through the Advanced Life Systems for Extreme Environments (ALSEE) project. ALSEE is a collaborative effort involving the NASA, the State of Alaska, the University of Alaska, the North Slope Borough of Alaska, Ilisagvik College in Barrow and the National Science Foundation (NSF). The focus is a major issue in the State of Alaska and other areas of the Circumpolar North; the health and welfare of its people, their lives and the subsistence lifestyle in remote communities, economic opportunity, and care for the environment. As advanced technologies are transferred to the commercial sector the ALSEE project Offers the potential for development of new industries in Alaska to supply the products to support remote communities of the globe.

Bubenheim, David L.↗
DOE OSTI2024

Two pathways to understanding electron transfer in reaction centers from photosynthetic bacteria: A comparison of Rhodobacter sphaeroides and Rhodobacter capsulatus mutants

The rates, yields, mechanisms and directionality of electron transfer (ET) are explored in twelve pairs of Rhodobacter (R.) sphaeroides and R. capsulatus mutant RCs designed to defeat ET from the excited primary donor (P*) to the A-side cofactors and re-direct ET to the normally inactive mirror-image B-side cofactors. In general, the R. sphaeroides variants have larger P + H B - yields (up to similar to ~90%) than their R. capsulatus analogs (up to similar to ~60%), where H B is the B-side bacteriopheophytin. Substitution of Tyr for Phe at L-polypeptide position L181 near B B primarily increases the contribution of fast P* → P + B B - → P + H B - two-step ET, where B-B is the "bridging" B-side bacteriochlorophyll. The second step (similar to ~6-8 ps) is slower than the first (similar to ~3-4 ps), unlike A-side two-step ET (P* → P + B A - → P + H A - ) where the second step (similar to ~1 ps) is faster than the first (similar to ~3-4 ps) in the native RC. Substitutions near H B , at L185 (Leu, Trp or Arg) and at M-polypeptide site M133/131 (Thr, Val or Glu), strongly affect the contribution of slower (20-50 ps) P* → P + H B - one-step superexchange ET. Here, both ET mechanisms are effective in directing electrons "the wrong way" to H B and both compete with internal conversion of P* to the ground state (similar to ~200 ps) and ET to the A-side cofactors. Collectively, the work demonstrates cooperative amino-acid control of rates, yields and mechanisms of ET in bacterial RCs and how A- vs. B-side charge separation can be tuned in both species.

Charge Separation↗
DOE OSTI2023

A Search for Technosignatures Around 11,680 Stars with the Green Bank Telescope at 1.15–1.73 GHz

We conducted a search for narrowband radio signals over four observing sessions in 2020–2023 with the $L$-band receiver (1.15–1.73 GHz) of the 100 m diameter Green Bank Telescope. We pointed the telescope in the directions of 62 TESS Objects of Interest, capturing radio emissions from a total of ~11,680 stars and planetary systems in the ~9' beam of the telescope. All detections were either automatically rejected or visually inspected and confirmed to be of anthropogenic nature. We also quantified the end-to-end efficiency of radio SETI pipelines with a signal injection and recovery analysis. The UCLA SETI pipeline recovers 94.0% of the injected signals over the usable frequency range of the receiver and 98.7% of the injections when regions of dense radio frequency interference are excluded. In another pipeline that uses incoherent sums of 51 consecutive spectra, the recovery rate is ~15 times smaller at ~6%. The pipeline efficiency affects calculations of transmitter prevalence and SETI search volume. Accordingly, we developed an improved Drake figure of merit and a formalism to place upper limits on transmitter prevalence that take the pipeline efficiency and transmitter duty cycle into account. Based on our observations, we can state at the 95% confidence level that fewer than 6.6% of stars within 100 pc host a transmitter that is continuously transmitting a narrowband signal with an equivalent isotropic radiated power (EIRP) > 10 13 W. For stars within 20,000 ly, the fraction of stars with detectable transmitters (EIRP > 5 × 10 16 W) is at most 3 × 10 -4 . Finally, we showed that the UCLA SETI pipeline natively detects the signals detected with AI techniques by Ma et al.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Doping behavior of iodine in Hg/0.8/Cd/0.2/Te

The defect state prevailing in iodine doped single-crystal samples of Hg0.8Cd0.2Te, annealed at 450-600 C in Hg vapor, has been deduced from Hall effect measurements on samples cooled to 77 K from the annealing temperature. Results are found to be similar to those previously obtained for iodine doped CdS, i.e. iodine acts as a single donor occupying Te lattice sites with a fraction paired with the native acceptor defects. The concentration of iodine on tellurium lattice sites increases with the partial pressure of Hg, whereas that of the pair species increases as the partial pressure of Hg decreases.

Vydyanath, H. R.↗