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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Stability correction functions for the mean wind speed and temperature in the unstable surface layer

In accordance with a theoretical analysis by Kader and Yaglom, interpolation expressions are proposed for the Monin-Obukhov functions for the wind speed and temperature profiles under unstable conditions in the surface layer of the atmospheric boundary layer. The values of the parameters are adjusted to agree with earlier work under weak instability, as reviewed by Hogstrom. The resulting formulations are valid for considerably larger values of their argument than those that were hitherto available. Their advantage is that they yield concise and closed-form stability correction functions which can be readily applied in profile analysis and model calculations.

Brutsaert, Wilfried↗
NASA NTRS1980

Acceptable testing of VLSI components which contain error correctors

If a VLSI chip is partitioned into functional units (FU's) and redundant FU's are added, error correcting codes may be employed to increase the yield and/or reliability of the chip. Acceptable testing is defined to be testing the chip with the error corrector functioning, thus obtaining the maximum increase in yield afforded by the error correction. The acceptable testing theorem shows that the use of coding and error correction in conjunction with acceptable testing can significantly increase the yield of VLSI chips without seriously compromising their reliability.

Cliff, R. A.↗
DOE OSTI2022

Identifying topological superconductivity in two-dimensional transition-metal dichalcogenides

Here we study the superconducting pairing instabilities and gap functions for prototypical two-dimensional (2D) transition-metal dichalcogenides (TMDCs) WS 2 , MoTe 2 , and MoS 2 in the 2H phase under both hole and electron doping at 10 K. Our first-principles quantum many-body Green's function approach allows us to treat the full d and p manifold of orbitals with strong spin-orbit coupling, yielding pairing predictions with material-specific detail. The resulting gap functions exhibit a variety of mixed-parity superconducting states, including s, p, d, f, d ± id, and p ± ip pairing modes. In particular, we predict 3% and 4% hole-doped WS 2 to be a chiral p ± ip topological superconductor. For 1% hole-doped MoS 2 , we find a competition between three doubly degenerate chiral and nonchiral instabilities. Overall, the relative pairing strengths are found to follow the Fermi-surface topology, due to nesting between the Fermi-surface sheets. Finally, we discuss our predictions in relation to available experimental data and classify the topology of the predicted superconducting pairing symmetries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

Multiobjective optimization techniques for structural design

The multiobjective programming techniques are important in the design of complex structural systems whose quality depends generally on a number of different and often conflicting objective functions which cannot be combined into a single design objective. The applicability of multiobjective optimization techniques is studied with reference to simple design problems. Specifically, the parameter optimization of a cantilever beam with a tip mass and a three-degree-of-freedom vabration isolation system and the trajectory optimization of a cantilever beam are considered. The solutions of these multicriteria design problems are attempted by using global criterion, utility function, game theory, goal programming, goal attainment, bounded objective function, and lexicographic methods. It has been observed that the game theory approach required the maximum computational effort, but it yielded better optimum solutions with proper balance of the various objective functions in all the cases.

Rao, S. S.↗
NASA NTRSDate not supplied

Exergy-based Sensitivity Analysis of the Generic Hypersonic Vehicle using FUN3D

In this paper, the implementation of an exergy-based objective function and its adjoint gradient into NASA’s FUN3D solver is discussed and verified. In order to verify that the exergy-based functional is properly implemented, it is used to predict the drag of the Generic Hypersonic Vehicle (GHV), which is then compared to more traditional force-based drag predictions. In addition to the functional implementation, FUN3D’s adjoint capability was extended to obtain sensitivities. Results were verified using FUN3D’s native complex step method for di↵erentiation using a generic wing configuration. The complex and adjoint gradients yielded discrete agreement demonstrating correct implementation and that the functional can be used for gradient-based multidisciplinary analysis and optimization. Next, various trade studies are conducted on the GHV to understand the design space of the vehicle. Finally, an inverse design problem is solved to verify the utilized design optimization framework which is ready to be deployed for exergy-based optimizations in future work.

Neal L. Novotny↗
NASA NTRS1986

External calibration of SIR-B Imagery with area-extended and point targets

Data collected by the Shuttle Imaging Radar-B (SIR-B) on two ascending orbits over a site in west-central Illinois were used to establish end-to-end transfer functions for conversion of the digital numbers on the eight-bit image to values of the radar backscattering coefficient, sigma(0). The transfer function for each data take was defined by the SIR response to an array of six calibrated point targets of known radar cross section and to a large number of area-extended targets, also with a known cross section, as measured by externally calibrated, truck-mounted scatterometers. In spite of variance in the SIR transmit power, end-to-end transfer functions generated from either point targets or area-extended targets were found to yield close agreement for a given pass, indicating that targets of known radar cross section can be used to provide transfer functions for orbital SAR. Although the use of area-extended targets yielded the most satisfactory results, the use of point targets is far simpler and may be the preferred alternative for many situations.

Dobson, M. C.↗
DOE OSTI2023

Sugar accumulation enhancement in sorghum stem is associated with reduced reproductive sink strength and increased phloem unloading activity

Sweet sorghum has emerged as a promising source of bioenergy mainly due to its high biomass and high soluble sugar yield in stems. Studies have shown that loss-of-function Dry locus alleles have been selected during sweet sorghum domestication, and decapitation can further boost sugar accumulation in sweet sorghum, indicating that the potential for improving sugar yields is yet to be fully realized. To maximize sugar accumulation, it is essential to gain a better understanding of the mechanism underlying the massive accumulation of soluble sugars in sweet sorghum stems in addition to the Dry locus. We performed a transcriptomic analysis upon decapitation of near-isogenic lines for mutant (d, juicy stems, and green leaf midrib) and functional (D, dry stems and white leaf midrib) alleles at the Dry locus. Our analysis revealed that decapitation suppressed photosynthesis in leaves, but accelerated starch metabolic processes in stems. SbbHLH093 negatively correlates with sugar levels supported by genotypes (DD vs. dd), treatments (control vs. decapitation), and developmental stages post anthesis (3d vs.10d). D locus gene SbNAC074A and other programmed cell death-related genes were downregulated by decapitation, while sugar transporter-encoding gene SbSWEET1A was induced. Both SbSWEET1A and Invertase 5 were detected in phloem companion cells by RNA in situ assay. Loss of the SbbHLH093 homolog, AtbHLH093, in Arabidopsis led to a sugar accumulation increase. This study provides new insights into sugar accumulation enhancement in bioenergy crops, which can be potentially achieved by reducing reproductive sink strength and enhancing phloem unloading.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Momentum Dependence of Near-Threshold J/ψ Photoproduction off Nuclei

The photoproduction of J/ψ mesons off nuclei at the energies of 8 and 11 GeV, which are close to the threshold for their production on a free nucleon, is considered on the basis of the first-collisionmodel relying on the nuclear spectral function and including incoherent processes of charmonium production in photon–nucleon collisions. The model takes into account the absorption of final J/ψ mesons, the binding of target nucleons, and their Fermi motion, as well as the effect of the scalar J/ψ–nucleus potential (or the inmedium shift of the J/ψ-meson mass) on these processes. Under various assumptions on the magnitude of this shift, the momentum dependences of various observables, such as the relative transparency of carbon and gold nuclei and the J/ψ-meson yields, are calculated for meson production on these nuclei. The observables in question include the relative transparencies of these nuclei to J/ψ mesons and the absolute and relativemeson yields from them. It is shown that, at the energy of 11 GeV, which is above the threshold, the first observable is virtually independent of the in-medium change in the J/ψ-meson mass. At the same time, it is moderately sensitive to this change at the subthreshold energy of 8 GeV. On the other hand, it is shown that, at these photon energies, the absolute and relative values of the differential cross sections, especially for the the heavy nucleus of {sup 197} Au, in the momentum range of 4–6 GeV/с are highly sensitive to the in-medium change in the J/ψ-meson mass. Therefore, the present calculations can be used to determine the unknown shift of the J/ψ-meson mass in nuclei by means of comparing their results with data expected from experiments in Hall C at the Continuous Electron Beam Accelerator Facility (CEBAF, USA) upgraded to the energy of 12 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Gravitational Focusing and the Star Cluster Initial Mass Function

We discuss the possibility that gravitational focusing is responsible for the power-law mass function of star clusters N(logM)∝M{sup −1}. This power law can be produced asymptotically when the mass accretion rate of an object depends upon the mass of the accreting body, as M-dot ∝M{sup 2}. Although Bondi–Hoyle–Lyttleton accretion formally produces this dependence on mass in a uniform medium, realistic environments are much more complicated. However, numerical simulations in SPH that allow for sink formation yield such an asymptotic power-law mass function. We perform pure N-body simulations to isolate the effects of gravity from those of gas physics and to show that clusters naturally result with the power-law mass distribution. We also consider the physical conditions necessary to produce clusters on appropriate timescales. Our results help support the idea that gravitationally dominated accretion is the most likely mechanism for producing the cluster mass function.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1979

Effects of secondary yield parameter variation on predicted equilibrium potential of an object in a charging environment

The sensitivity of predicted equilibrium potential to changes in secondary electron yield parameters was investigated using MATCHG, a simple charging code which incorporates the NASCAP material property formulations. The equilibrium potential was found to be a sensitive function of one of the two parameters specifying secondary electron yield due to proton impact and of essentially all the parameters specifying yield due to electron impact. The information on the electron generated secondary yield parameters was discovered to be obtainable from monoenergetic beam charging data if charging rates as well as equilibrium potentials are accurately recorded.

Purvis, C. K.↗
NASA NTRS1979

Effects of secondary yield parameter variation on predicted equilibrium potential of an object in a charging environment

A study is presented in which the sensitivity of predicted equilibrium potential to changes in secondary electron yield parameters is investigated using MATCHG, a simple charging code which incorporates the NASCAP material property formulations. It is found that equilibrium potential is a sensitive function of one of the two parameters specifying secondary electron yield due to proton impact and of essentially all the parameters specifying yield due to electron impact. In addition, it is found that information on the electron generated secondary yield parameters can be obtained from monoenergetic beam charging data if charging rates as well as equilibrium potentials are accurately recorded.

Purvis, C. K.↗
NASA NTRS1959

A Study of Oxidation of Hydrogen Based on Flashback of Hydrogen-Oxygen-Nitrogen Burner Flames

The flashback of hydrogen-oxygen-nitrogen flames was studied as a function of pressure, burner diameter, equivalence ratio, and oxidant strength. The results were treated on the assumption that the product of the critical boundary velocity gradient for flashback and the initial concentration of that reactant which is not in excess is proportional to a mean reaction rate associated with the flame zone. It was further assumed that this reaction rate can be expressed in terms of initial concentrations and flame temperature. Measurements at constant flame temperature yield orders of reaction with respect to hydrogen and oxygen. These do not vary with flame temperature. Measurements in which pressure is varied for several values of oxidant strength at constant equivalence ratio yield a total order of reaction and a function describing the dependence of the mean reaction rate on flame temperature. The total reaction order is independent of flame temperature and equal to the sum of the orders for hydrogen and oxygen. The dependence of the reaction rate on flame temperature cannot be described by a constant activation energy. The activation energy obtained apparently increases with flame temperature. Flashback results can be described by a single rate constant which is independent of equivalence ratio. Values were estimated for this rate constant as a function of flame temperature.

Fine, Burton D.↗
DOE OSTI2025

Coalescence formation of muonic atoms at RHIC

The discovery of exotic muonic atoms, including antimatter hydrogen muonic atoms and kaon muonic atoms, constitutes a milestone in our ability to make and study new forms of matter. Relativistic heavy-ion collisions provide the only likely condition for production and detection of these exotic atoms. Taking Coulomb correlations into account from the time of the fireball freeze-out, which refers to the cessation of hadronic interactions in the high-temperature, high-density region formed after the collision, until the formation of a stable atom has dramatic consequences on the expected yields of these atoms. When the coalescence model with the assumption of quantum wave function localization is applied to the formation of muonic atoms, we find that the atom yields are about two orders of magnitude higher than previously predicted.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Nanoparticle-Induced Disorder at Complex Liquid–Liquid Interfaces: Effects of Curvature and Compositional Synergy on Functional Surfaces

The self-assembly of surfactant monolayers at interfaces plays a sweeping role in tasks ranging from household cleaning to the regulation of the respiratory system. The synergy between different nanoscale species at an interface can yield assemblies with exceptional properties, which enhance or modulate their function. However, understanding the mechanisms underlying coassembly, as well as the effects of intermolecular interactions at an interface, remains an emerging and challenging field of study. Herein, we study the interactions of gold nanoparticles striped with hydrophobic and hydrophilic ligands with phospholipids at a liquid–liquid interface and the resulting surface-bound complexes. We show that these nanoparticles, which are themselves minimally surface active, have a direct concentration-dependent effect on the rapid reduction of tension for assembling phospholipids at the interface, implying molecular coassembly. Through the use of sum frequency generation vibrational spectroscopy, we reveal that nanoparticles impart structural disorder to the lipid molecular layers, which is related to the increased volumes that amphiphiles can sample at the curved surface of a particle. The results strongly suggest that hydrophobic and electrostatic attractions imparted by nanoparticle functionalization drive lipid–nanoparticle complex assembly at the interface, which synergistically aids lipid adsorption even when lipids and nanoparticles approach the interface from opposite phases. The use of tensiometric and spectroscopic analyses reveals a physical picture of the system at the nanoscale, allowing for a quantitative analysis of the intermolecular behavior that can be extended to other systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Dynamic Learning of Correlation Potentials for a Time-Dependent Kohn-Sham System

We develop methods to learn the correlation potential for a time-dependent Kohn-Sham (TDKS) system in one spatial dimension. We start from a low-dimensional two-electron system for which we can numerically solve the time-dependent Schr¨odinger equation; this yields electron densities suitable for training models of the correlation potential. We frame the learning problem as one of optimizing a least-squares objective subject to the constraint that the dynamics obey the TDKS equation. Applying adjoints, we develop efficient methods to compute gradients and thereby learn models of the correlation potential. Our results show that it is possible to learn values of the correlation potential such that the resulting electron densities match ground truth densities. We also show how to learn correlation potential functionals with memory, demonstrating one such model that yields reasonable results for trajectories outside the training set.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Molecular Basis for Olefin Rearrangement in the Gephyronic Acid Polyketide Synthase

Polyketide synthase (PKS) are a rich source of natural products of varied chemical composition and biological significance. Here, we report the characterization of an atypical dehydratase (DH) domain from the PKS pathway for gephyronic acid, an inhibitor of eukaryotic protein synthesis. Using a library of synthetic substrate mimics, the reaction course, stereospecificity, and tolerance to non-native substrates of GphF DH1 are probed via LC-MS analysis. Taken together, the studies establish GphF DH1 as a dual-function dehydratase/isomerase that installs an odd-to-even double bond and yields a product consistent with the isobutenyl terminus of gephyronic acid. The studies also reveal an unexpected C2 epimerase function in catalytic turnover with the native substrate. A 1.55-Å crystal structure of GphF DH1 guided mutagenesis experiments to elucidate the roles of key amino acids in the multi-step DH1 catalysis, identifying critical functions for leucine and tyrosine side chains. The mutagenesis results were applied to add a secondary isomerase functionality to a non-isomerizing DH in the first successful gain-of-function engineering of a PKS DH. Our studies of GphF DH1 catalysis highlight the versatility of the DH active site and adaptation for a specific catalytic outcome with a specific substrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Light (anti)nuclei production in Pb-Pb collisions at s N N = 5.02 TeV

The measurement of the production of deuterons, tritons and 3 He and their antiparticles in Pb-Pb collisions at $\sqrt{s_{NN}}$= 5.02 TeV is presented in this article. The measurements are carried out at midrapidity (|y| < 0.5) as a function of collision centrality using the ALICE detector. The p T -integrated yields, the coalescence parameters and the ratios to protons and antiprotons are reported and compared with nucleosynthesis models. The comparison of these results in different collision systems at different center-of-mass collision energies reveals a suppression of nucleus production in small systems. In the Statistical Hadronisation Model framework, this can be explained by a small correlation volume where the baryon number is conserved, as already shown in previous fluctuation analyses. However, a different size of the correlation volume is required to describe the proton yields in the same data sets. The coalescence model can describe this suppression by the fact that the wave functions of the nuclei are large and the fireball size starts to become comparable and even much smaller than the actual nucleus at low multiplicities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Generating Bright Emissive States by Modulating the Bandgap of Monolayer Tungsten Diselenide

Transition metal dichalcogenides (TMDs) are essential due to their fascinating electronic and optical properties, strong exciton binding energy, and layer-dependent bandgap. They can be tuned to function as a single-photon emitter, but the quantum yield of photoluminescence of single-layer WSe 2 is low. There is some evidence that a bright emissive state can be produced by introducing local defects through functionalization. In this paper we use spin-polarized periodic density functional theory (DFT) to study the effect of functionalization for the specific case of cyclic carbenes. We find that the simplest of these molecules, cyclopentadiene carbene (Cyc), binds to the surface by a covalent bond leading to a substantial change in the bandgap (1.24 eV compared to 1.64 eV for the pristine surface). Moreover, there are semiflat bands below the Fermi level that originate from σ bonding and the interaction between the lone-pair p orbitals on the carbon of Cyc that bonds with Se on the TMD. Cyc is found to form a Type IIa heterojunction before and after contact with the surface, where the “a” refers to ordering of the energy levels where the TMD levels have the larger splitting and “b” to the reverse. The effect of various electron-withdrawing and electron-donating groups on Cyc is investigated, and it is found that the direct bandgap and heterointerfaces can be chemically tuned with covalently bound functional groups. With an electron-withdrawing group (EWG) such as –CHO, –COCl, and –CN attached to Cyc, a Type III//Type IIa interface is formed, whereas all other EWGs used in this study form a Type IIa junction, before and after contact to the surface. The electron-donating groups (EDG) form Type Ib//Type Ia junctions, and in particular, we find that the system WSe 2 + Cyc-Me band structure consists of semiflat bands at valence band maxima localized on Cyc-Me and the conduction band minimum is coupled between the surface and functional group with a direct bandgap of 0.88 eV. Hence, we predict that the Cyc-Me-functionalized monolayer WSe 2 will produce a red-shifted bright emissive state. Furthermore, we also find that carbenes with the Cyc all-carbon ring have (1) a triplet ground state and (2) form covalent bonds to WSe 2 , while heterocyclic carbenes (1) have a singlet ground state and (2) do not form covalent bonds to WSe 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗