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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Sub-problem Optimization With Regression and Neural Network Approximators

Design optimization of large systems can be attempted through a sub-problem strategy. In this strategy, the original problem is divided into a number of smaller problems that are clustered together to obtain a sequence of sub-problems. Solution to the large problem is attempted iteratively through repeated solutions to the modest sub-problems. This strategy is applicable to structures and to multidisciplinary systems. For structures, clustering the substructures generates the sequence of sub-problems. For a multidisciplinary system, individual disciplines, accounting for coupling, can be considered as sub-problems. A sub-problem, if required, can be further broken down to accommodate sub-disciplines. The sub-problem strategy is being implemented into the NASA design optimization test bed, referred to as "CometBoards." Neural network and regression approximators are employed for reanalysis and sensitivity analysis calculations at the sub-problem level. The strategy has been implemented in sequential as well as parallel computational environments. This strategy, which attempts to alleviate algorithmic and reanalysis deficiencies, has the potential to become a powerful design tool. However, several issues have to be addressed before its full potential can be harnessed. This paper illustrates the strategy and addresses some issues.

Guptill, James D.↗
DOE OSTI2026

A sorghum pangenome reference improves global crop trait discovery

Although the green revolution adapted a handful of crops to homogeneous and high-input industrialized agriculture, much of the global population still relies on the local production of variable crop cultivars by low-input smallholder farms. This diversity of unhomogenized crops, like that of the grain and bioenergy crop sorghum, offers raw materials for genetic gain and cultivar improvement. However, breeding efforts can be constrained by highly specialized traits and breeding targets Here, to bridge this diversity, we constructed a 33-member pangenome reference and a diversity panel across 1,984 cultivars and landraces. We leveraged these resources to explore the complex interplay among historical contingency, ongoing adaptation and previously uncharacterized structural diversity. Specifically, our analyses conclusively demonstrated multiple nested and deeply diverged structural variants in the domestication gene SHATTERING1, which distinguish the previously established multicentric origin of sorghum. We then applied landscape genomics to reveal how gene flow and secondary contact created the complex genetic mosaic in contemporary breeding networks. As proof of concept for pangenome-accelerated trait discovery, we connected biosynthetic gene cluster structural variation to phenotypic leaf concentration of the cyanogenic glucoside dhurrin. Combined, these approaches will accelerate breeding and trait discovery and provide a framework for similar applications in other crops.

agricultural genetics↗
DOE OSTI2026

Direct observation of the superallowed α-decay of 104 Te

The radioactivity of the α particle is among the most compelling evidence for the existence of cluster structures in atomic nuclei. During the decay process, a pre-existing α particle tunnels through the potential barrier formed by the residual nucleus1,2. The degree of preformation of the α particle, a strongly bound system of two protons and two neutrons, is extracted from the data by dividing the α-decay probability by the barrier penetrability for a given particle energy. The preformation probability changes rapidly near nuclear shell closures, which is direct evidence that clustering is connected to nuclear structure3. Enhanced preformation was observed in the lightest α-particle emitters, spherical tellurium and xenon isotopes decaying to magic isotopes of tin. Here we show the most extreme case of α-particle preformation from the measurement of the decay of tellurium-104 (104Te). With a half-life of , 104Te is the fastest ground-state α-emitting nucleus known so far. The deduced preformation demonstrates that the enhancement is greater for 104Te than for any other nucleus. One nuclear model that can explain our observation postulates that the α particle can exist only in the low-nuclear-matter-density regions on the surface of the nucleus. The uniquely high preformation for 104Te is attributed to its relation to doubly magic tin-100 (100Sn), creating conditions conducive to form an α particle.

Cox, Ian↗
NASA NTRS1995

Wavelet transform analysis of the small-scale X-ray structure of the cluster Abell 1367

We have developed a new technique based on a wavelet transform analysis to quantify the small-scale (less than a few arcminutes) X-ray structure of clusters of galaxies. We apply this technique to the ROSAT position sensitive proportional counter (PSPC) and Einstein high-resolution imager (HRI) images of the central region of the cluster Abell 1367 to detect sources embedded within the diffuse intracluster medium. In addition to detecting sources and determining their fluxes and positions, we show that the wavelet analysis allows a characterization of the sources extents. In particular, the wavelet scale at which a given source achieves a maximum signal-to-noise ratio in the wavelet images provides an estimate of the angular extent of the source. To account for the widely varying point response of the ROSAT PSPC as a function of off-axis angle requires a quantitative measurement of the source size and a comparison to a calibration derived from the analysis of a Deep Survey image. Therefore, we assume that each source could be described as an isotropic two-dimensional Gaussian and used the wavelet amplitudes, at different scales, to determine the equivalent Gaussian Full Width Half-Maximum (FWHM) (and its uncertainty) appropriate for each source. In our analysis of the ROSAT PSPC image, we detect 31 X-ray sources above the diffuse cluster emission (within a radius of 24 min), 16 of which are apparently associated with cluster galaxies and two with serendipitous, background quasars. We find that the angular extents of 11 sources exceed the nominal width of the PSPC point-spread function. Four of these extended sources were previously detected by Bechtold et al. (1983) as 1 sec scale features using the Einstein HRI. The same wavelet analysis technique was applied to the Einstein HRI image. We detect 28 sources in the HRI image, of which nine are extended. Eight of the extended sources correspond to sources previously detected by Bechtold et al. Overall, using both the PSPC and the HRI observations, we detect 16 extended features, of which nine have galaxies coincided with the X-ray-measured positions (within the positional error circles). These extended sources have luminosities lying in the range (3 - 30) x 10(exp 40) ergs/s and gas masses of approximately (1 - 30) x 10(exp 9) solar mass, if the X-rays are of thermal origin. We confirm the presence of extended features in A1367 first reported by Bechtold et al. (1983). The nature of these systems remains uncertain. The luminosities are large if the emission is attributed to single galaxies, and several of the extended features have no associated galaxy counterparts. The extended features may be associated with galaxy groups, as suggested by Canizares, Fabbiano, & Trinchieri (1987), although the number required is large.

Grebeney, S. A.↗
DOE OSTI2025

Quantum physics of stars

Stars are slowly developing objects; the lifetimes of the different burning phases are determined by the strength of nuclear reactions, which in turn are defined by the quantum structure of the associated nuclei at the threshold and the respective reaction mechanisms. Stars, from the nuclear physics perspective, are cold environments where only a few of the key nuclear reactions have been measured at the actual stellar plasma temperatures. This is also the case for more dynamic astrophysical phenomena from the big bang to stellar explosions. Most of the nuclear reaction rates are therefore based on theoretical extrapolations. A number of discrepancies between these predictions and the associated stellar signatures have been observed, and many may be due to low-energy or near-threshold quantum effects. These effects need to be understood in order to reliably model nuclear reaction processes, not only for stars but also for low-temperature plasma environments such as controlled magnetic or inertial confinement fusion systems, which operate in similar temperature regimes. This review summarizes the various theoretical techniques presently used for deriving reaction rates and discusses possible quantum effects that may impact the reaction cross section near the reaction threshold. These resemble enhanced single-particle and cluster structures near threshold and associated interference effects. New experimental techniques such as deep-underground accelerators or the study of transfer reactions to mimic the quantum-mechanical transition strength, the so-called Trojan horse method, provide ways to directly or indirectly probe the reaction features that determine the reaction rates at stellar energies. Furthermore, this is demonstrated on a number of key nuclear reactions for different nucleosynthesis environments. Finally, current inconsistencies between experimental predictions and observations are discussed.

Models & methods for nuclear reactions↗
NASA NTRS1980

Effect of three-body interactions on the structure of small clusters

Minimum energy configurations of microclusters (up to six atoms) have been calculated using two- and three-body interactions. Structural changes were parametrically analyzed as a function of the intensity of three-body forces. The results are qualitative in nature; they indicate, however, that three-body interactions play an important role in the equilibrium structure of microclusters. The effect of the intensity of the three-body interactions on the structure of small clusters is not manifested in a continuous manner. Rather, changes in the energetically most stable structure occur abruptly. The results are in qualitative agreement with experimental observations as well as other calculations.

Halicioglu, T.↗
DOE OSTI2024

Exploration of Tertiary Structure in Sequence-Defined Polymers Using Molecular Dynamics Simulations

Peptoids are a class of sequence-defined biomimetic polymers with peptide-like backbones and side chains located on backbone nitrogens rather than alpha carbons. These materials demonstrate a strong ability for precise control of single-chain structure, multiunit self-assembly, and macromolecular assembly through careful tuning of sequence due to the diversity of available side chains, although the driving forces behind these assemblies are often not understood. Prior experimental work has shown that linked 15mer peptoids can mimic the protein helical hairpin structure by leveraging the chirality-inducing nature of bulky side chains and hydrophobicity, but there are still gaps in our understanding of the relationship between sequence, stability, and particular secondary or tertiary structure. Here, we present a molecular dynamics (MD) study on the folding behavior of these polymers into hairpins, discussing the differences in structure from sequences with various characteristics in water and acetonitrile, and then compare the handedness preference of common helical motifs between solvents.

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

Ab Initio Study of the Beryllium Isotopes 7 Be to 12 Be

We present a systematic ab initio study of the low-lying states in beryllium isotopes from 7 Be to 12 Be using nuclear lattice effective field theory with the N 3 ⁢LO interaction. Our calculations achieve good agreement with experimental data for energies, radii, and electromagnetic properties. We introduce a novel, model-independent method to quantify nuclear shapes, uncovering a distinct pattern in the interplay between positive and negative parity states across the isotopic chain. By combining Monte Carlo sampling of the many-body density operator with a novel nucleon-grouping algorithm, the prominent two-center cluster structures, the emergence of one-neutron halo, complex nuclear molecular dynamics such as 𝜋 orbital and 𝜎 orbital, emerge naturally.

binding energy & masses↗
DOE OSTI2024

Dynamic Shaping of Grid Response of Multi-Machine Multi-Inverter Systems Through Grid-Forming IBRs

We consider the problem of controlling the frequency response of weakly-coupled multi-machine multi-inverter low-inertia power systems via grid-forming inverter-based resources (IBRs). In contrast to existing methods, our approach relies on dividing the larger system into multiple strongly-coupled subsystems, without ignoring either the underlying network or approximating the subsystem response as an aggregate harmonic mean model. Rather, through a structured clustering and recursive dynamic shaping approach, the frequency response of the overall system to load perturbations is shaped appropriately. We demonstrate the proposed approach for a three-node triangular configuration and a small-scale radial network. Furthermore, previous synchronization analysis for heterogeneous systems requires the machines to satisfy certain proportionality property. In our approach, the effective transfer functions for each cluster can be tuned by the IBRs to satisfy such property, enabling us to apply the shaping control to systems with a wider range of heterogeneous machines.

frequency-shaping control↗
NASA NTRS1983

X-ray sources of cosmological relevance

The results of extragalactic observations made with the imaging proportional counter (IPC) on board the Einstein Observatory satellite are reported. Quasars were found to be strong X ray sources with correlations between the X ray and optical luminosities; strong radio emissions also correlated well with X ray luminosities. The data indicate that the ratio of the X ray and optical luminosities is inversely proportional to the optical luminosity. Active galactic nuclei are also strong X ray sources. A continuity exists between the X ray behavior of Seyfert galaxies and quasars, while BL Lac objects exhibit X ray variability exceeding that of quasars, although some BL Lac objects may be quasars. The X ray data revealed evolutionary phases in galactic cluster structures.

Maccacaro, T.↗
NASA NTRS1985

Intensities of high-energy cosmic rays at Mount Kanbala

General features of family events with Summary E sub gamma 200 TeV, observed by the emulsion chambers at Mt. Kanbala, are presented in comparison with the Monte Carlo simulation. The lateral and cluster structure, and the energy spectra of constituent gamma-rays and hadrons are shown to be consistent with the Monte Carlo results calculated under the assumption of heavy-enriched primary, scaling, QCD jets and increasing cross-section.

Ren, J. R.↗
NASA NTRS1990

Compound-specific isotopic analyses: a novel tool for reconstruction of ancient biogeochemical processes

Patterns of isotopic fractionation in biogeochemical processes are reviewed and it is suggested that isotopic fractionations will be small when substrates are large. If so, isotopic compositions of biomarkers will reflect those of their biosynthetic precursors. This prediction is tested by consideration of results of analyses of geoporphyrins and geolipids from the Greenhorn Formation (Cretaceous, Western Interior Seaway of North America) and the Messel Shale (Eocene, lacustrine, southern Germany). It is shown (i) that isotopic compositions of porphyrins that are related to a common source, but which have been altered structurally, cluster tightly and (ii) that isotopic differences between geolipids and porphyrins related to a common source are equal to those observed in modern biosynthetic products. Both of these observations are consistent with preservation of biologically controlled isotopic compositions during diagenesis. Isotopic compositions of individual compounds can thus be interpreted in terms of biogeochemical processes in ancient depositional environments. In the Cretaceous samples, isotopic compositions of n-alkanes are covariant with those of total organic carbon, while delta values for pristane and phytane are covariant with those of porphyrins. In this unit representing an open marine environment, the preserved acyclic polyisoprenoids apparently derive mainly from primary material, while the extractable, n-alkanes derive mainly from lower levels of the food chain. In the Messel Shale, isotopic compositions of individual biomarkers range from -20.9 to -73.4% vs PDB. Isotopic compositions of specific compounds can be interpreted in terms of origin from methylotrophic, chemautotrophic, and chemolithotrophic microorganisms as well as from primary producers that lived in the water column and sediments of this ancient lake.

Non-NASA Center↗
NASA NTRS2004

Effects of Cloud-Microphysics on Tropical Atmospheric Hydrologic Processes in the GEOS GCM

The sensitivity of tropical atmospheric hydrologic processes to cloud-microphysics is investigated using the NASA GEOS GCM. Results show that a faster autoconversion - rate produces more warm rain and less clouds at all levels. Fewer clouds enhances longwave cooling and reduces shortwave heating in the upper troposphere, while more warm rain produces increased condensation heating in the lower troposphere. This vertical heating differential destablizes the tropical atmosphere, producing a positive feedback resulting in more rain over the tropics. The feedback is maintained via a two-cell secondary circulation. The lower cell is capped by horizontal divergence and maximum cloud detrainment near the melting/freezing, with rising motion in the warm rain region connected to descending motion in the cold rain region. The upper cell is found above the freezing/melting level, with longwave-induced subsidence in the warm rain and dry regions, coupled to forced ascent in the deep convection region. The tropical large scale circulation is found to be very sensitive to the radiative-dynamic effects induced by changes in autoconversion rate. Reduced cloud-radiation processes feedback due to a faster autoconversion rate results in intermittent but more energetic eastward propagating Madden and Julian Oscillations (MJO). Conversely,-a slower autconversion rate, with increased cloud radiation produces MJO's with more realistic westward propagating transients, resembling a supercloud cluster structure. Results suggests that warm rain and associated low and mid level clouds, i.e., cumulus congestus, may play a critical role in regulating the time-intervals of deep convections and hence the fundamental time scales of the MJO.

Lau, K. M.↗
DOE OSTI2024

Dynamic Shaping of Grid Response of Multi-Machine Multi-Inverter Systems Through Grid-Forming IBRs: Preprint

We consider the problem of controlling the frequency response of weakly-coupled multi-machine multi-inverter low-inertia power systems via grid-forming inverter-based resources (IBRs). In contrast to existing methods, our approach relies on dividing the larger system into multiple strongly-coupled subsystems, without ignoring either the underlying network or approximating the subsystem response as an aggregate harmonic mean model. Rather, through a structured clustering and recursive dynamic shaping approach, the frequency response of the overall system to load perturbations is shaped appropriately. We demonstrate the proposed approach for a three-node triangular configuration and a small-scale radial network. Furthermore, for small-scale radial microgrids, we demonstrate the ability of IBRs to tune the effective transfer functions of synchronous machines. This enables us to relax the uniform turbine time-constant assumptions and widen the scope of existing synchronization results for proportionally heterogeneous machines.

frequency-shaping control↗
NASA NTRS1986

Stability and structure of metal clusters - Be(13) and Be(55)

Face-centered cubic (fcc) and hexagonally close-packed (hcp) structures are compared for Be(13) and Be(55) clusters. Both Be(13) and Be(55) prefer the fcc structure over the bulk hcp structure, but the energy difference per atom decreases for Be(55) relative to Be(13). The binding energy per atom, 1.3 eV for Be(55) and 0.8-0.9 eV for Be(13), reflects the greater total number of bonds in the larger cluster rather than a difference in bonding. The energies per bond are much more similar, in the range of 0.30-0.34 eV for both clusters. The size of the p-basis set used influences both stability and ionization potentials strongly.

Pettersson, Lars G. M.↗
NASA NTRS1992

Radiative transfer theory for polarimetric remote sensing of pine forest

The radiative transfer theory is applied to interpret polarimetric radar backscatter from pine forest with clustered vegetation structures. To take into account the clustered structures with the radiative transfer theory, the scattering function of each cluster is calculated by incorporating the phase interference of scattered fields from each component. Subsequently, the resulting phase matrix is used in the radiative transfer equations to evaluate the polarimetric backscattering coefficients from random medium layers embedded with vegetation clusters. Upon including the multi-scale structures, namely, trunks, primary and secondary branches, as well as needles, we interpret and simulate the polarimetric radar responses from pine forest for different frequencies and looking angles. The preliminary results are shown to be in good agreement with the measured backscattering coefficients at the Landes maritime pine forest during the MAESTRO-1 experiment.

Hsu, C. C.↗
NASA NTRS1982

Theoretical studies of the electronic structure of small metal clusters

Theoretical studies of the electronic structure of metal clusters, in particular clusters of Group IIA and IIB atoms were conducted. Early in the project it became clear that electron correlation involving d orbitals plays a more important role in the binding of these clusters than had been previously anticipated. This necessitated that computer codes for calculating two electron integrals and for constructing the resulting CI Hamiltonions be replaced with newer, more efficient procedures. Program modification, interfacing and testing were performed. Results of both plans are reported.

Jordan, K. D.↗
DOE OSTI2025

Structure-dependent clustering-to-declustering solute segregation transitions near disconnections

Grain-boundary disconnections, characterized by a step and a dislocation, are pervasive interfacial line defects that play a critical role in governing the properties and performance of nanocrystalline alloys. Although segregation of alloying elements is frequently observed at GB disconnections, the underlying mechanisms remain poorly understood, particularly at elevated temperatures and non-dilute conditions. In this study, we employ atomistic simulations to study the segregation behavior of Ag at various faulted disconnections in Cu as a model material system. Our results demonstrate a pronounced size and compactness effect on the segregation behavior: more compact faulted disconnection structures promote the formation of Ag segregation clusters due to a highly localized tensile field, whereas more spread faulted disconnection structures (i.e., with wider partial dislocation spacing) exhibit much weaker clustering tendencies. Furthermore, with increasing temperature, Ag clustering in small disconnections initially intensifies and then disappears, indicating a thermally driven transition from clustering to declustering segregation behavior.

Disconnections↗