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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Two-Dimensional Moiré Polaronic Electron Crystals

Two-dimensional moiré materials have emerged as the most versatile platform for realizing quantum phases of electrons. Here, we explore the stability origins of correlated states in WSe 2 /WS 2 moiré superlattices. We find that ultrafast electronic excitation leads to partial melting of the Mott states on timescales 5 times longer than predictions from the charge hopping integrals and that the melting rates are thermally activated, with activation energies of 1⁢8±3 and 1⁢3±2 meV for the one- and two-hole Mott states, respectively, suggesting significant electron-phonon coupling. A density functional theory calculation of the one-hole Mott state confirms polaron formation and yields a hole-polaron binding energy of 16 meV. These findings reveal a close interplay of electron-electron and electron-phonon interactions in stabilizing the polaronic Mott insulators at transition metal dichalcogenide moiré interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Antiferromagnetic Fe Te 2 1 T - phase formation at the Sb 2 Te 3 / Ni 80 Fe 20 interface

Bilayer topological insulator/ferromagnet (TI/FM) heterostructures are promising for spintronic applications due to their low switching energy and therefore power efficiency. Until recently, the reactivity of TI with FM films was overlooked in the spin orbit-torque literature, even though there are reports that it is energetically favorable for TIs to react with transition metals and form interfacial layers. Here, in this study we fabricated a TI/FM heterostructure comprised of molecular beam epitaxy grown Sb 2 Te 3 and DC sputtered Ni 80 Fe 20 . Broadband ferromagnetic resonance revealed spin-pumping evident by the significant enhancement in Gilbert damping, which is likely a signature of the topological surface states or the presence of large spin-orbit-coupling in the adjacent Sb 2 Te 3 . With low-temperature magnetometry, an exchange bias is observed which indicates an exchange interaction between an antiferromagnet (AFM) and an adjacent FM. Cross-section high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) characterization of the Sb 2 Te 3 - Ni 80 Fe 20 bilayer revealed a complex interface showing diffusion of Fe and Ni into the Sb 2 Te 3 film yielding the formation of a FeTe 2 1T-type structural phase. Furthermore, density functional theory calculations revealed that the FeTe 2 1T-phase has an AFM ground state. Due to experimental limitations in the electron energy loss spectroscopy measurements precise chemistry of the interfacial phase could not be determined, therefore it is possible that the FeTe 2 1T and/or an intermixed (Fe 1-x Ni x )Te 2 1T is the AFM interfacial phase contributing to exchange bias in the system. This work emphasizes the chemical complexity of TI/FM interfaces that host novel, metastable magnetic topological phases and require more in-depth studies of other similar interfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Time‐series multi‐omics analysis of micronutrient stress in Sorghum bicolor reveals iron and zinc crosstalk and regulatory network conservation

Micronutrient stress impacts growth, biomass production, and grain yield in crops. Multi-omics studies are valuable resources in identifying genes for functional studies and trait improvement, such as accumulation of Fe or Zn under deficient or excess conditions for bioenergy or grain agriculture. We conducted transcriptomics and ionomics analyses on Sorghum bicolor BTx623, grown under Fe and Zn limited and excess conditions over a 21-day period. To identify early and late transcriptional response in roots and leaves, 180 RNAseq libraries were sequenced for differential expression and co-expression network analyses. Fe and Zn accumulation was measured using ICP-MS at each time point, and a fluorometer was used to estimate chlorophyll content in leaves. Among the four treatments, Fe limitation and Zn excess resulted in the largest phenotypic effects and transcriptional response in roots and leaves. Several of the reduction (Strategy I) and chelation (Strategy II) strategy genes that improve bioavailability of Fe and Zn in plant roots often used by non-grass and grass species, respectively, were differentially expressed. Gene regulatory network (GRN) analysis of roots revealed enrichment of genes from Fe limiting and Zn excess which strongly connect to homologues of SbFIT, SbPYE, and SbBTS as hub genes. The GRN for leaf responses showed homologues of SbPYE and SbBTS as hubs connecting genes for chloroplast biosynthesis, Fe-S cluster assembly, photosynthesis, and ROS scavenging. Expression analyses suggest sorghum uses Strategy II genes for Fe and Zn uptake, as expected, but can also utilize Strategy I genes, which may be advantageous in variable moisture environments. We found strong overlap between Fe and Zn responsive GRNs, indicative of micronutrient crosstalk. We also found conservation of root and leaf GRNs, and known homologous genes suggest strong constraints on homeostasis networks in plants. These data will provide a resource for functional genetics to enhance micronutrient transport in sorghum, and opportunities to conduct further comparative GRN analysis across diverse crops species.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

A High-efficacy CRISPRi System for Gene Function Discovery in Zymomonas mobilis

Zymomonas mobilis is a promising biofuel producer due to its high alcohol tolerance and streamlined metabolism that efficiently converts sugar to ethanol. Z. mobilis genes are poorly characterized relative to those of model bacteria, hampering our ability to rationally engineer the genome with pathways capable of converting sugars from plant hydrolysates into valuable biofuels and bioproducts. Many of the unique properties that make Z. mobilis an attractive biofuel producer are controlled by essential genes; however, these genes cannot be manipulated using traditional genetic approaches (e.g., deletion or transposon insertion) because they are required for viability. CRISPR interference (CRISPRi) is a programmable gene knockdown system that can precisely control the timing and extent of gene repression, thus enabling targeting of essential genes. Here, we establish a stable, high-efficacy CRISPRi system in Z. mobilis that is capable of perturbing all genes—including essential genes. We show that Z. mobilis CRISPRi causes either strong knockdowns (>100-fold) using single guide RNA (sgRNA) spacers that perfectly match target genes or partial knockdowns using spacers with mismatches. We demonstrate the efficacy of Z. mobilis CRISPRi by targeting essential genes that are universally conserved in bacteria, are key to the efficient metabolism of Z. mobilis, or underlie alcohol tolerance. Our Z. mobilis CRISPRi system will enable comprehensive gene function discovery, opening a path to rational design of biofuel production strains with improved yields.

lignocellulosic hydrolysate↗
DOE OSTI2024

Overcoming Barriers in Plant Transformation: A Focus on Bioenergy Crops

Although 2023 marked the 40th anniversary of the first transgenic plant, routine transformation of most plant genotypes remains elusive. Rapid systems to overexpress, interfere, or knock out genes— collectively defined in this report as “transformation and editing technologies”—are needed to understand plant gene function. This understanding in turn is crucial for efficiently developing new, sustainable, high-yielding, and climate-resilient crops to meet the growing demand for food, feed, fiber, and fuel. In particular, the ability to apply transformation and editing technologies to bioenergy crops has remained largely unrealized. To address this opportunity, the U.S. Department of Energy (DOE) Biological and Environmental Research Program convened a workshop on September 18–20, 2023, to define transformation and editing needs and barriers focused on bioenergy crops. The main conclusions are summarized below.

09 BIOMASS FUELS↗
DOE OSTI2022

Diversification of aminoacyl-tRNA synthetase activities via genomic duplication

Intricate evolutionary events enabled the emergence of the full set of aminoacyl-tRNA synthetase (aaRS) families that define the genetic code. The diversification of aaRSs has continued in organisms from all domains of life, yielding aaRSs with unique characteristics as well as aaRS-like proteins with innovative functions outside translation. Recent bioinformatic analyses have revealed the extensive occurrence and phylogenetic diversity of aaRS gene duplication involving every synthetase family. However, only a fraction of these duplicated genes has been characterized, leaving many with biological functions yet to be discovered. Here we discuss how genomic duplication is associated with the occurrence of novel aaRSs and aaRS-like proteins that provide adaptive advantages to their hosts. We illustrate the variety of activities that have evolved from the primordial aaRS catalytic sites. This precedent underscores the need to investigate currently unexplored aaRS genomic duplications as they may hold a key to the discovery of exciting biological processes, new drug targets, important bioactive molecules, and tools for synthetic biology applications.

noncanonical functions↗
NASA NTRS1976

Prediction of the diffuse far-infrared flux from the galactic plane

A basic model and simple numerical relations useful for future far-infrared studies of the Galaxy are presented. Making use of recent CO and other galactic surveys, the diffuse far-infrared flux distribution from the galactic plane is predicted as a function of galactic longitude for longitudes between 4 and 90 deg; the far-infrared emissivity is predicted as a function of galactocentric distance. Future measurements of the galactic far-infrared flux would yield valuable information on the physical properties and distribution of dust and molecular clouds in the Galaxy, particularly the inner region.

Fazio, G. G.↗
NASA NTRS1976

Prediction of the diffuse far-infrared flux from the galactic plane

A basic model and simple numerical relations useful for future far-infrared studies of the Galaxy are presented. Making use of recent CO and other galactic surveys, the diffuse far-infrared flux distribution from the galactic planes is predicted as a function of galactic longitude for the region between 4 and 90 deg longitude; the far-infrared emissivity is predicted as a function of galactocentric distance. Future measurements of the galactic far-infrared flux would yield valuable information on the physical properties and distribution of dust and molecular clouds in the Galaxy, particularly the inner region.

Fazio, G. G.↗
NASA NTRS1978

Extinction-sedimentation inversion technique for measuring size distribution of artificial fogs

In measuring the size distribution of artificial fog particles, it is important that the natural state of the particles not be disturbed by the measuring device, such as occurs when samples are drawn through tubes. This paper describes a method for carrying out such a measurement by allowing the fog particles to settle in quiet air inside an enclosure through which traverses a parallel beam of light for measuring the optical depth as a function of time. An analytic function fit to the optical depth time decay curve can be directly inverted to yield the size distribution. Results of one such experiment performed on artificial fogs are shown as an example. The forwardscattering corrections to the measured extinction coefficient are also discussed with the aim of optimizing the experimental design so that the error due to forwardscattering is minimized.

Deepak, A.↗
NASA NTRS1981

Laboratory measurements of the cometary photochemical phenomena

Laboratory experiments are described that provide fundamental information about photochemical processes in comets. The yield of cometary radicals such as CN, OH, etc. can be determined as a function of photolyzing wavelength. Quantum state distributions of the internal energy of the cometary radicals can also be measured as a function of wavelength permitting one to define the recoil velocity of the fragments. This type of information supplies the data needed for more elaborate models to interpret the data being obtained on comets.

Jackson, W. M.↗
NASA NTRS1991

The energy separation between the classical and nonclassical isomers of protonated acetylene - An extensive study in one- and n-particle space saturation

The energy separation between the classical and nonclassical forms of protonated acetylene has been reinvestigated in light of the recent experimentally deduced lower bound to this value of 6.0 kcal/mol. The objective of the present study is to use state-of-the-art ab initio quantum mechanical methods to establish this energy difference to within chemical accuracy (i.e., about 1 kcal/mol). The one-particle basis sets include up to g-type functions and the electron correlation methods include single and double excitation coupled-cluster (CCSD), the CCSD(T) extension, multireference configuration interaction, and the averaged coupled-pair functional methods. A correction for zero-point vibrational energies has also been included, yielding a best estimate for the energy difference between the classical and nonclassical forms of 3.7 + or - 1.3 kcal/mol.

Lindh, Roland↗
NASA NTRS1992

Extrapolation procedures in Mott electron polarimetry

In standard Mott electron polarimetry using thin gold film targets, extrapolation procedures must be used to reduce the experimentally measured asymmetries A to the values they would have for scattering from single atoms. These extrapolations involve the dependent of A on either the gold film thickness or the maximum detected electron energy loss in the target. A concentric cylindrical-electrode Mott polarimeter, has been used to study and compare these two types of extrapolations over the electron energy range 20-100 keV. The potential systematic errors which can result from such procedures are analyzed in detail, particularly with regard to the use of various fitting functions in thickness extrapolations, and the failure of perfect energy-loss discrimination to yield accurate polarizations when thick foils are used.

Gay, T. J.↗
NASA NTRS1992

Electrolytic smelting of lunar rock for oxygen, iron, and silicon

Preliminary studies of the electrochemical properties of silicate melts such as those available from heating of lunar mare soils indicate that conductivities are high enough for design of a practical electrolytic cell. The nature and kinetics of the electrode reactions, which involve reduction of Fe(++) and Si(IV) and oxidation of silicate anions as the primary, product-forming reactions, are also satisfactory. A survey of the efficiencies for production (amount of product for a given current) of O2, Fe(sup 0), and Si(sup 0) as functions of potential and of electrolyte composition indicate that conditions can be chosen to yield high production efficiencies. We also conclude that electronic conductivity does not occur to a significant extent. Based on these data, a cell with electrodes of 30 sq m in area operating between 1 and 5V with a current between 1.6 and 3.5(10)(exp 5) A for a mean power requirement of 0.54 MW and total energy use of approximately 13 MWhr per 24-hr day would produce 1 ton of O2, 0.81 ton of Fe(sup 0), 0.65 ton of Si(sup 0) (as Fe(sup 0)-Si(sup 0) alloy), and about 3.5 tons of silicate melt of altered composition per 24 hr. Adjustable distance between electrodes could offer flexibility with respect to feedstock and power source.

Haskin, Larry A.↗
NASA NTRS1992

Nonlinear dynamics of charged particles in the magnetotail

An important region of the earth's magnetosphere is the nightside magnetotail, which is believed to play a significant role in energy storage and release associated with substorms. The magnetotail contains a current sheet which separates regions of oppositely directed magnetic field. Particle motion in the collisionless magnetotail has been a long-standing problem. Recent research from the dynamical point of view has yielded considerable new insights into the fundamental properties of orbits and of particle distribution functions. A new framework of understanding magnetospheric plasma properties is emerging. Some novel predictions based directly on nonlinear dynamics have proved to be robust and in apparent good agreement with observation. The earth's magnetotail may serve as a paradigm, one accessible by in situ observation, of a broad class of boundary regions with embedded current sheets. This article reviews the nonlinear dynamics of charged particles in the magnetotail configuration. The emphasis is on the relationships between the dynamics and physical observables. At the end of the introduction, sections containing basic material are indicated.

Chen, James↗
NASA NTRS1993

Compressibility effects on rotor forces in the leakage path between a shrouded pump impeller and its housing

A modified approach to Childs' previous work on fluid-structure interaction forces in the leakage path between an impeller shroud and its housing is presented in this paper. Three governing equations consisting of continuity, path-momentum, and circumferential-momentum equations were developed to describe the leakage path inside a pump impeller. Radial displacement perturbations were used to solve for radial and circumferential force coefficients. In addition, impeller-discharge pressure disturbances were used to obtain pressure oscillation responses due to precessing impeller pressure wave pattern. Childs' model was modified from an incompressible model to a compressible barotropic-fluid model (the density of the working fluid is a function of the pressure and a constant temperature only). Results obtained from this model yielded interaction forces for radial and circumferential force coefficients. Radial and circumferential forces define reaction forces within the impeller leakage path. An acoustic model for the same leakage path was also developed. The convective, Coriolis, and centrifugal acceleration terms are removed from the compressible model to obtain the acoustics model. A solution due to impeller discharge pressure disturbances model was also developed for the compressible and acoustics models. The results from these modifications are used to determine what effects additional perturbation terms in the compressible model have on the acoustic model. The results show that the additional fluid mechanics terms in the compressible model cause resonances (peaks) in the force coefficient response curves. However, these peaks only occurred at high values of inlet circumferential velocity ratios greater than 0.7. The peak pressure oscillation was shown to occur at the wearing ring seal. Introduction of impeller discharge disturbances with n = 11 diametral nodes showed that maximum peak pressure oscillations occurred at nondimensional precession frequencies of f = 6.4 and f = 7.8 for this particular pump. Bolleter's results suggest that for peak pressure oscillations to occur at the wearing ring seal, the nondimensional excitation frequency should be on the order of f = 2.182 for n = 11. The resonances found in this research do not match the excitation frequencies predicted by Bolleter. At the predicted peak excitation frequencies given by Bolleter, the compressible model shows an attenuation of the pressure oscillations at the seal exit. The compressibility of the fluid does not have a significant influence on the model at low values of nondimensional excitation frequency. At high values of nondimensional frequency, the effects of compressibility become more significant. For the acoustic analysis, the convective, Coriolis, and centrifugal acceleration terms do affect the results to a limited extent for precession excitation and to a large extent for a pressure excitation when the fluid operates at relatively high Mach numbers.

Cao, Nhai The↗
NASA NTRS1994

The proton cyclotron instability and the anisotropy/B inverse correlation

Spacecraft observations in the strongly compressed subsolar magnetosheath show an inverse correlation between the proton temperature anistrophy (T(sub perpendicular to p)/T(sub parallel to p) greater than 1 where perpendicular to and parallel to denote directions perpendicular and parallel to the background magnetic field) and the parallel proton beta (beta(sub parallel to p). This manuscript uses one-dimensional hybrid simulations of the proton cyclotron anisotropy instability in homogeneous electron-proton plasmas to study this correlation which may represent a limited closure relation for fluid theories of anisotropic space plasmas. The emphasis is on driven simulation which increase the temperature anisotropy by periodically reducing the magnetic-field-aligned velocities of the protons. The late-time states from ensembles of both initial value and driven simulations yield very similar expressions for the proton anisotropy/beta(sub parallel to P) inverse correlation, and provide a basis for explaining differences between sheath observations from different spacecraft. The driven simulations also yield expressions for the maximum instability growth rate and the fluctuating field energy as functions of beta (sub parallel to p) and a parameter characterizing the anisotropy driver.

Gary, S. Peter↗
NASA NTRS1995

The correlated k-distribution technique as applied to the AVHRR channels

Correlated k-distributions have been created to account for the molecular absorption found in the spectral ranges of the five Advanced Very High Resolution Radiometer (AVHRR) satellite channels. The production of the k-distributions was based upon an exponential-sum fitting of transmissions (ESFT) technique which was applied to reference line-by-line absorptance calculations. To account for the overlap of spectral features from different molecular species, the present routines made use of the multiplication transmissivity property which allows for considerable flexibility, especially when altering relative mixing ratios of the various molecular species. To determine the accuracy of the correlated k-distribution technique as compared to the line-by-line procedure, atmospheric flux and heating rate calculations were run for a wide variety of atmospheric conditions. For the atmospheric conditions taken into consideration, the correlated k-distribution technique has yielded results within about 0.5% for both the cases where the satellite spectral response functions were applied and where they were not. The correlated k-distribution's principal advantages is that it can be incorporated directly into multiple scattering routines that consider scattering as well as absorption by clouds and aerosol particles.

Kratz, David P.↗