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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Analyses and forecasts with LAWS winds

Horizontal fluxes of atmospheric water vapor are studied for summer months during 1989 and 1992 over North and South America based on analyses from European Center for Medium Range Weather Forecasts, US National Meteorological Center, and United Kingdom Meteorological Office. The calculations are performed over 20 deg by 20 deg box-shaped midlatitude domains located to the east of the Rocky Mountains in North America, and to the east of the Andes Mountains in South America. The fluxes are determined from operational center gridded analyses of wind and moisture. Differences in the monthly mean moisture flux divergence determined from these analyses are as large as 7 cm/month precipitable water equivalent over South America, and 3 cm/month over North America. Gridded analyses at higher spatial and temporal resolution exhibit better agreement in the moisture budget study. However, significant discrepancies of the moisture flux divergence computed from different gridded analyses still exist. The conclusion is more pessimistic than Rasmusson's estimate based on station data. Further analysis reveals that the most significant sources of error result from model surface elevation fields, gaps in the data archive, and uncertainties in the wind and specific humidity analyses. Uncertainties in the wind analyses are the most important problem. The low-level jets, in particular, are substantially different in the different data archives. Part of the reason for this may be due to the way the different analysis models parameterized physical processes affecting low-level jets. The results support the inference that the noise/signal ratio of the moisture budget may be improved more rapidly by providing better wind observations and analyses than by providing better moisture data.

Wang, Muyin↗
DOE OSTI2024

Evaluation of Second Target Station Target Streaming for the Preliminary Design of the Target Assembly

This report documents the analysis of dose rate fields from a combination of two sources stemming from the target system of the Oak Ridge National Laboratory (ORNL) Spallation Neutron Source (SNS) Second Target Station (STS). This analysis supports the target drive components’ lifetime estimates and conventional facilities’ preliminary design. The two sources detailed in this report are the radiation generated by the proton beam incident on the target and the activated cooling water in the pipes at the top of the target assembly. The analysis considers the STS target system in operational configuration, with all shielding in place. The dose rate fields are calculated in the target drive room and through the target drive room ceiling. This report calculates the thickness necessary for the target drive room’s high-density concrete ceiling to meet the 0.25 mrem/hr dose limit requirement in the high bay directly above the target drive room. In addition to sizing the target drive room ceiling, this report includes details of the dose field surrounding the target drive assembly to estimate the deposited dose in the target drive assembly components resulting from both streaming and decay of activated water. Prompt neutrons and gammas generated by the proton beam incident on the target primarily stream along the gaps between the target assembly and core vessel shielding. Because the models and analysis detailed in this report are based on the STS preliminary design, future analysis is needed to support the STS final design.

43 PARTICLE ACCELERATORS↗
NASA NTRS2015

Understanding International GNC Hardware Trends

An industry-wide survey of guidance, navigation and control (GNC) sensors, namely star trackers, gyros, and sun sensors was undertaken in 2014, in which size, mass, power, and various performance metrics were recorded for each category. A multidimensional analysis was performed, looking at the spectrum of available sensors, with the intent of identifying gaps in the available capability range. Mission types that are not currently well served by the available components were discussed, as well as some missions that would be enabled by filling gaps in the component space. This paper continues that study, with a focus on reaction wheels and magnetometers, as well as with updates to the listings of star trackers, gyros, and sun sensors. Also discussed are a framework for making the database available to the community at large, and the continued maintenance of this database and the analysis of its contents.

Greenbaum, Adam↗
NASA NTRS1984

Analysis and Interpretation of Synthetic Time Strings of Oscillation Data

Artificial strings of solar oscillation data with gaps and noise, corresponding to the output of different spatial filter functions, were analyzed. Peaks in the power spectrum are identified for values of the degree l from 0 to 18, and rotational splitting is estimated. The filters prove effective in facilitating identification of essentially all the real peaks in the power spectrum. Estimates of peak frequencies and amplitudes and rotational splitting frequencies are in reasonably good agreement with the input values. Spurious peaks in autocorrelation spectra correspond to the frequency spacing between power peaks with the same order n, differing by one or two in the degree l.

Mihalas, B. W.↗
DOE OSTI2022

Biorefinery upgrading of herbaceous biomass to renewable hydrocarbon fuels, Part 2: Air pollutant emissions and permitting implications

The development of advanced biofuel production facilities is still at a nascent stage, and the biorefineries could face challenges in obtaining air permits required for their construction and operation because they are novel emission sources. To fill gaps in knowledge regarding potential emissions, we perform a detailed federal regulatory analysis and estimate air pollutant emissions for an advanced biorefinery that produces renewable diesel blendstock (RDB) from lignocellulosic biomass via aerobic respiration documented in Part 1 of the paper. We evaluate 12 design permutations that include two feedstocks, a uniform format blend (UFB) and corn stover; three biorefinery scales, 2,000, 5,200, and 9,100 dry metric tons per day (dmtd) of lignocellulosic biomass feed; and two lignin uses, as either a boiler fuel or for pellet production. We also evaluate 6 additional design permutations by incorporating non-emitting renewable power, which could reduce up to 63% carbon monoxide (CO) and nitrogen oxides (NO x ) each, 21% volatile organic compounds (VOC), and 43% hazardous air pollutants (HAP) as opposed to on-site power production, for biorefineries that produce pellets, using either UFB or corn stover. Our results indicate that all 18 design permutations would be classified as a major source under the Clean Air Act's New Source Review program without additional emission controls. Compared to using lignin as a boiler fuel, diverting lignin for pellet production reduces the emissions of CO up to 88%, NOx up to 73%, sulfur dioxide (SO 2 ) up to 99%, VOCs up to 72%, and HAPs up to 66%. Additionally, we explore control options that could further reduce emissions and assess whether reductions are enough to achieve minor source classification. Insights from our analysis can help biorefinery developers and regulators develop permitting strategies to mitigate investment risks.

09 BIOMASS FUELS↗
DOE OSTI2020

Computational study of the adsorption of bimetallic clusters on alumina substrate

We performed computational investigation of the adsorption of bimetallic Pd 3 M 2 (where M changes from Ag, Au, Co, Cu, Mn, Ni, Pt, and Ru) cluster on the hydroxylated alumina surface. Previously, it was shown that small silver cluster can control the rate of discharge at the cathode of lithium-oxygen battery. The gap near the fermi energy was shown to control the oxygen reduction, an important reaction for LiO 2 formation. Controlling the gap would ultimately control the rate of LiO 2 formation. One can vary the size of the cluster to vary the gap, however, this "knob" provides limited variance in the gap. Alloying, in combination with size variation offer a much wider control of the gap, hence the LiO 2 formation. Using Density Functional Theory (DFT), we determined the most stable geometry of the bimetallic clusters Pd 3 M 2 and calculated the binding energies of these clusters on the alumina substrate which ranges from 0.2 eV to 0.25 eV depending upon the composition of the alloy-cluster, its orientation and the adsorption site. We also find that Pd atoms bind strongly with the substrate oxygen atoms with an average short bond-length of about 2.2 angstrom. We explored how the gap at the Fermi level of the system varies as a function of elemental composition and the calculated gap ranges from 0 meV to 90 meV. Charges distribution using Bader analysis was also performed to probe how charges are transferred between the cluster and the substrate. These preliminary results will open the door for more systematic studies of alloy clusters of different size and stoichiometry for Li-O 2 battery cathode design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Taking stock of national climate policies to evaluate implementation of the Paris Agreement

Many countries have implemented national climate policies to accomplish pledged Nationally Determined Contributions and to contribute to the temperature objectives of the Paris Agreement on climate change. In 2023, the global stocktake will assess the combined effort of countries. Here, based on a public policy database and a multi-model scenario analysis, we show that implementation of current policies leaves a median emission gap of 22.4 to 28.2 GtCO 2 eq by 2030 with the optimal pathways to implement the well below 2 °C and 1.5 °C Paris goals. If Nationally Determined Contributions would be fully implemented, this gap would be reduced by a third. Interestingly, the countries evaluated were found to not achieve their pledged contributions with implemented policies (implementation gap), or to have an ambition gap with optimal pathways towards well below 2 °C. This shows that all countries would need to accelerate the implementation of policies for renewable technologies, while efficiency improvements are especially important in emerging countries and fossilfuel- dependent countries.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Antisite defect qubits in monolayer transition metal dichalcogenides

Abstract Being atomically thin and amenable to external controls, two-dimensional (2D) materials offer a new paradigm for the realization of patterned qubit fabrication and operation at room temperature for quantum information sciences applications. Here we show that the antisite defect in 2D transition metal dichalcogenides (TMDs) can provide a controllable solid-state spin qubit system. Using high-throughput atomistic simulations, we identify several neutral antisite defects in TMDs that lie deep in the bulk band gap and host a paramagnetic triplet ground state. Our in-depth analysis reveals the presence of optical transitions and triplet-singlet intersystem crossing processes for fingerprinting these defect qubits. As an illustrative example, we discuss the initialization and readout principles of an antisite qubit in WS 2 , which is expected to be stable against interlayer interactions in a multilayer structure for qubit isolation and protection in future qubit-based devices. Our study opens a new pathway for creating scalable, room-temperature spin qubits in 2D TMDs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Twisted bilayer graphene. VI. An exact diagonalization study at nonzero integer filling

Using exact diagonalization, we research the projected Hamiltonian with the Coulomb interaction in the eight flat bands of first magic angle twisted bilayer graphene. Employing the U(4) [U(4) × U(4)] symmetries in the nonchiral (chiral) flat band limit, we reduced the Hilbert space to an extent that allows for study around ν = ±3,±2,±1 fillings. In the first chiral limit w 0 /w 1 = 0, where w 0 (w 1 ) is the A A (AB) stacking hopping, we find that the ground states at these fillings are extremely well-described by Slater determinants in a so-called Chern basis, and the exactly solvable charge ±1 excitations found in Bernevig et al. [Phys. Rev. B 103, 205415 (2021)] are the lowest charge excitations up to system sizes 8 × 8 (for restricted Hilbert space) in the chiral-flat limit. We also find that the flat metric condition (FMC) used by Bernevig et al. [Phys. Rev. B 103, 205411 (2021)], Song et al. [Phys. Rev. B 103, 205412 (2021)], Bernevig et al. [Phys. Rev. B 103, 205413 (2021)], Lian et al. [Phys. Rev. B 103, 205414 (2021)], and Bernevig et al. [Phys. Rev. B 103, 205415 (2021)] for obtaining a series of exact ground states and excitations holds in a large parameter space. For ν = -3, the ground state is the spin and valley polarized Chern insulator with ν C = ±1 at w 0 /w 1 ≲ 0.9 (0.3) with (without) FMC. At ν = -2, we can only numerically access the valley polarized sector, and we find a spin ferromagnetic phase when w 0 /w 1 ≳ 0.5 t where t ϵ [0,1] is the factor of rescaling of the actual TBG bandwidth, and a spin singlet phase otherwise, confirming the perturbative calculation [Lian. et al., Phys. Rev. B 103, 205414 (2021), Bultinck et al., Phys. Rev. X 10, 031034 (2020)]. The analytic FMC ground state is, however, predicted in the intervalley coherent sector which we cannot access [Lian et al., Phys. Rev. B 103, 205414 (2021), Bultinck et al., Phys. Rev. X 10, 031034 (2020)]. For ν = -3 with/without FMC, when w 0 /w 1 is large, the finite-size gap Δ to the neutral excitations vanishes, leading to phase transitions. Further analysis of the ground state momentum sectors at ν = -3 suggests a competition among (nematic) metal, momentum M M (π) stripe and K M -CDW orders at large w 0 /w 1 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Band structure and Fermi surface nesting in LaSb 2

Here we use high-resolution angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) to investigate the electronic structure of the charge density wave (CDW) system LaSb 2 . This compound is among an interesting group of materials that manifests both a CDW transition and lower temperature superconductivity. We find the DFT calculations to be in good agreement with our ARPES data. The Fermi surface of LaSb 2 consists of two small hole pockets close to Γ and four larger pockets near the Brillouin zone boundary. The key features of the Fermi surface do not vary significantly with temperature. A saddle point is present at -0.19 eV below the Fermi level at Γ. Saddle points in the band structure have more pronounced effects on materials properties when they are located closer to the Fermi level, making doped LaSb 2 compounds a potential interesting subject of future research. Multiple peaks are present in the generalized, electronic susceptibility calculations, indicating the presence of three possible nesting vectors. We were not able to detect any signatures of the CDW transition at 355 K down to the lowest temperature of 7 K, pointing to the subtle nature of this transition. This is unusual, given that such a high transition temperature is expected to be associated with the presence of a large CDW gap. This is confirmed through investigation of the Fermi surface and through analysis of momentum distribution curves. It is possible that changes are subtle and occur below current sensitivity of our measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Expanded genome and proteome reallocation in a novel, robust Bacillus coagulans strain capable of utilizing pentose and hexose sugars

Bacillus coagulans, a Gram-positive thermophilic bacterium, is recognized for its probiotic properties and recent development as a microbial cell factory. Despite its importance for biotechnological applications, the current understanding of B. coagulans’ robustness is limited, especially for undomesticated strains. To fill this knowledge gap, we characterized the metabolic capability and performed functional genomics and systems analysis of a novel, robust strain, B. coagulans B-768. Genome sequencing revealed that B-768 has the largest B. coagulans genome known to date (3.94 Mbp), about 0.63 Mbp larger than the average genome of sequenced B. coagulans strains, with expanded carbohydrate metabolism and mobilome. Functional genomics identified a well-equipped genetic portfolio for utilizing a wide range of C5 (xylose, arabinose), C6 (glucose, mannose, galactose), and C12 (cellobiose) sugars present in biomass hydrolysates, which was validated experimentally. For growth on individual xylose and glucose, the dominant sugars in biomass hydrolysates, B-768 exhibited distinct phenotypes and proteome profiles. Faster growth and glucose uptake rates resulted in lactate overflow metabolism, which makes B. coagulans a lactate overproducer; however, slower growth and xylose uptake diminished overflow metabolism due to the high energy demand for sugar assimilation. Carbohydrate Transport and Metabolism (COG-G), Translation (COG-J), and Energy Conversion and Production (COG-C) made up 60%–65% of the measured proteomes but were allocated differently when growing on xylose and glucose. The trade-off in proteome reallocation, with high investment in COG-C over COG-G, explains the xylose growth phenotype with significant upregulation of xylose metabolism, pyruvate metabolism, and tricarboxylic acid (TCA) cycle. Strain B-768 tolerates and effectively utilizes inhibitory biomass hydrolysates containing mixed sugars and exhibits hierarchical sugar utilization with glucose as the preferential substrate.

carbohydrate metabolism↗
DOE OSTI2021

Report on the Second MPEX User Research Forum

The Material Plasma Exposure eXperiment (MPEX) User Research Forum (MURF), a 2 day workshop, was held virtually on September 13–14, 2021, to seek community input for MPEX, a new high-power linear plasma device that is currently being built at Oak Ridge National Laboratory (ORNL). This was the second MURF workshop. The first MURF workshop was held in October 2019 in La Jolla, California, and focused exclusively on the definition of the surface analysis station for MPEX. MPEX is designed to address crucial R&D gaps in plasma material interactions (PMI) for future fusion reactors. The MPEX plasma source and heating systems will allow plasma exposures of plasma-facing materials and components to prototype fusion reactor divertor plasma conditions. The MPEX design accommodates the introduction of previously neutron-irradiated materials for fusion reactor-relevant plasma exposures. This capability will be unique worldwide. The US fusion program has advocated for such a device in numerous community reports in recent years, and now ORNL is building this new device. MPEX is a Major Item of Equipment project executed by the US Department of Energy’s Office of Science Fusion Energy Sciences.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Genomics, Exometabolomics, and Metabolic Probing Reveal Conserved Proteolytic Metabolism of Thermoflexus hugenholtzii and Three Candidate Species From China and Japan

Thermoflexus hugenholtzii JAD2 T , the only cultured representative of the Chloroflexota order Thermoflexales, is abundant in Great Boiling Spring (GBS), NV, United States, and close relatives inhabit geothermal systems globally. However, no defined medium exists for T. hugenholtzii JAD2 T and no single carbon source is known to support its growth, leaving key knowledge gaps in its metabolism and nutritional needs. Here, we report comparative genomic analysis of the draft genome of T. hugenholtzii JAD2 T and eight closely related metagenome-assembled genomes (MAGs) from geothermal sites in China, Japan, and the United States, representing “Candidatus Thermoflexus japonica,” “Candidatus Thermoflexus tengchongensis,” and “Candidatus Thermoflexus sinensis.” Genomics was integrated with targeted exometabolomics and 13 C metabolic probing of T. hugenholtzii. The Thermoflexus genomes each code for complete central carbon metabolic pathways and an unusually high abundance and diversity of peptidases, particularly Metallo- and Serine peptidase families, along with ABC transporters for peptides and some amino acids. The T. hugenholtzii JAD2 T exometabolome provided evidence of extracellular proteolytic activity based on the accumulation of free amino acids. However, several neutral and polar amino acids appear not to be utilized, based on their accumulation in the medium and the lack of annotated transporters. Adenine and adenosine were scavenged, and thymine and nicotinic acid were released, suggesting interdependency with other organisms in situ. Metabolic probing of T. hugenholtzii JAD2 T using 13 C-labeled compounds provided evidence of oxidation of glucose, pyruvate, cysteine, and citrate, and functioning glycolytic, tricarboxylic acid (TCA), and oxidative pentose-phosphate pathways (PPPs). However, differential use of position-specific 13 C-labeled compounds showed that glycolysis and the TCA cycle were uncoupled. Thus, despite the high abundance of Thermoflexus in sediments of some geothermal systems, they appear to be highly focused on chemoorganotrophy, particularly protein degradation, and may interact extensively with other microorganisms in situ.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A Structural Perspective on the RNA Editing of Plant Respiratory Complexes

The last steps of respiration, a core energy-harvesting process, are carried out by a chain of multi-subunit complexes in the inner mitochondrial membrane. Several essential subunits of the respiratory complexes are RNA-edited in plants, frequently leading to changes in the encoded amino acids. While the impact of RNA editing is clear at the sequence and phenotypic levels, the underlying biochemical explanations for these effects have remained obscure. Here, we used the structures of plant respiratory complex I, complex III2 and complex IV to analyze the impact of the amino acid changes of RNA editing in terms of their location and biochemical features. Through specific examples, we demonstrate how the structural information can explain the phenotypes of RNA-editing mutants. This work shows how the structural perspective can bridge the gap between sequence and phenotype and provides a framework for the continued analysis of RNA-editing mutants in plant mitochondria and, by extension, in chloroplasts.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1982

High resolution analysis

The possibilities for the use of high spectral resolution analysis in the field of hydrology and water resources are examined. Critical gaps in scientific knowledge that must be filled before technology can be evaluated involve the spectral response of water, substances dissolved and suspended in water, and substances floating on water. The most complete mapping of oil slicks can be done in the ultraviolet region. A mean of measuring the ultraviolet reflection at the surface from satellite altitudes needs to be determined. The use of high spectral resolution sensors in a reasonable number of narrow bands may be able to sense the reflectance or emission characteristics of water and its contained materials that can be correlated with commonly used water quality variables. Technological alternative available to experiment with problems of sensing water quality are to use existing remote sensing instrumentation in an empirical mode and to develop instruments for either testing hypoteses or conducting empirical experiments.

Robinove, C. J.↗
NASA NTRS1987

Discovery and problem solving: Triangulation as a weak heuristic

Recently the artificial intelligence community has turned its attention to the process of discovery and found that the history of science is a fertile source for what Darden has called compiled hindsight. Such hindsight generates weak heuristics for discovery that do not guarantee that discoveries will be made but do have proven worth in leading to discoveries. Triangulation is one such heuristic that is grounded in historical hindsight. This heuristic is explored within the general framework of the BACON, GLAUBER, STAHL, DALTON, and SUTTON programs. In triangulation different bases of information are compared in an effort to identify gaps between the bases. Thus, assuming that the bases of information are relevantly related, the gaps that are identified should be good locations for discovery and robust analysis.

Rochowiak, Daniel↗
NASA NTRS2002

Mars Infrared Spectroscopy: From Theory and the Laboratory To Field Observations

The continuity and timely implementation of the Mars exploration strategy relies heavily on the ability of the planetary community to interpret infrared spectral data. However, the increasing mission rate, data volume, and data variety, combined with the small number of spectroscopists within the planetary community, will require a coordinated community effort for effective and timely interpretation of the newly acquired and planned data sets. Relevant spectroscopic instruments include the 1996 TES, 2001 THEMIS, 2003 Pancam, 2003 Mini-TES, 2003 Mars Express OMEGA, 2003 Mars Express PFS, and 2005 CFUSM. In light of that, leaders of the Mars spectral community met June 4-6 to address the question: What terrestrial theoretical, laboratory, and field studies are most needed to best support timely interpretations of current and planned visible infrared spectrometer data sets, in light of the Mars Program goals? A primary goal of the spectral community is to provide a reservoir of information to enhance and expand the exploration of Mars. Spectroscopy has a long history of providing the fundamental compositional discoveries in the solar system, from atmospheric constituents to surface mineralogy, from earth-based to spacecraft-based observations. However, such spectroscopic compositional discoveries, especially surface mineralogies, have usually come after long periods of detailed integration of remote observations, laboratory analyses, and field measurements. Spectroscopic information of surfaces is particularly complex and often is confounded by interference of broad, overlapping absorption features as well as confusing issues of mixtures, coatings, and grain size effects. Thus some spectroscopic compositional discoveries have come only after many years of research. However, we are entering an era of Mars exploration with missions carrying sophisticated spectrometers launching about every 2 years. It is critical that each mission provide answers to relevant questions to optimize the success of the next mission. That will not occur effectively unless the spectroscopic remote sensing data can be processed and understood on an approximate 2-year rate. Our current knowledge of spectral properties of materials and confounding effects of the natural environment are note well enough understood for the accurate interpretations needed for such ambitious and time critical exploration objectives. This workshop focused on identify ing critical gaps in moving the field towards the goal of rapid and accurate analysis and interpretation.

Kirkland, Laurel↗
NASA NTRS2005

Verifying Aerospace Software

Robust Software Engineering Group's case studies in aerospace software analysis a) Remote Agent; b) K9 Rover; c) Lessons learned; d) Research gaps; e) Verifying autonomy software.

Visser, Willem↗